USER MOD reduce.3.24.130724 H: found=0, std=0, add=999, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 1000 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 112 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 115 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 56 SER OG : rot 90:sc= -1.4! USER MOD Set 2.2: A 85 MET CE :methyl 158:sc= -0.896 (180deg=-1.71) USER MOD Set 3.1: A 7 LYS NZ :NH3+ -164:sc= 1.22 (180deg=0) USER MOD Set 3.2: A 32 ASN : amide:sc= 0.536 K(o=1.8,f=-5.2) USER MOD Set 4.1: A 26 LYS NZ :NH3+ -112:sc= 0.655 (180deg=0) USER MOD Set 4.2: A 31 ASN :FLIP amide:sc= -0.357 F(o=-6.3!,f=0.3) USER MOD Single : A 4 LYS NZ :NH3+ -172:sc= -4.5! (180deg=-4.75!) USER MOD Single : A 15 SER OG : rot 63:sc= 1.09 USER MOD Single : A 16 THR OG1 : rot 15:sc= 0.637! USER MOD Single : A 17 MET CE :methyl 176:sc= 0 (180deg=-0.0215) USER MOD Single : A 23 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 ASN : amide:sc= 0.0759 X(o=0.076,f=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 TYR OH : rot 180:sc= -1.55 USER MOD Single : A 59 ASN : amide:sc= -1.29 K(o=-1.3,f=-2.1!) USER MOD Single : A 60 MET CE :methyl -118:sc= -0.505 (180deg=-1.15) USER MOD Single : A 62 ASN :FLIP amide:sc= -3.8! C(o=-4.4!,f=-3.8!) USER MOD Single : A 63 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 THR OG1 : rot 112:sc= 0.198 USER MOD Single : A 78 MET CE :methyl 180:sc= -0.0125 (180deg=-0.0125) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot 52:sc= -0.365 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 LYS NZ :NH3+ 152:sc= -0.0594 (180deg=-0.391) USER MOD Single : A 94 ASN :FLIP amide:sc= -1.55 F(o=-2.6!,f=-1.6) USER MOD Single : A 100 GLN : amide:sc= -0.264 X(o=-0.26,f=0) USER MOD Single : A 104 SER OG : rot 54:sc= -5.88! USER MOD Single : A 106 TYR OH : rot -120:sc= -1.85 USER MOD Single : A 109 LYS NZ :NH3+ 176:sc= -2.62! (180deg=-2.65!) USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 121 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 126 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 129 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 2 -14.192 0.685 8.271 1.00 0.00 N ATOM 2 CA ALA A 2 -13.123 1.346 9.071 1.00 0.00 C ATOM 3 C ALA A 2 -12.863 2.741 8.507 1.00 0.00 C ATOM 4 O ALA A 2 -12.182 2.896 7.513 1.00 0.00 O ATOM 5 CB ALA A 2 -11.839 0.519 8.983 1.00 0.00 C ATOM 0 HA ALA A 2 -13.438 1.422 10.112 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -11.055 1.001 9.568 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -12.023 -0.481 9.376 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -11.523 0.447 7.942 1.00 0.00 H new ATOM 11 N ASP A 3 -13.403 3.759 9.123 1.00 0.00 N ATOM 12 CA ASP A 3 -13.184 5.137 8.599 1.00 0.00 C ATOM 13 C ASP A 3 -13.483 5.140 7.100 1.00 0.00 C ATOM 14 O ASP A 3 -12.634 4.846 6.286 1.00 0.00 O ATOM 15 CB ASP A 3 -11.730 5.552 8.836 1.00 0.00 C ATOM 16 CG ASP A 3 -11.406 5.442 10.327 1.00 0.00 C ATOM 17 OD1 ASP A 3 -11.396 4.331 10.830 1.00 0.00 O ATOM 18 OD2 ASP A 3 -11.173 6.470 10.940 1.00 0.00 O ATOM 0 H ASP A 3 -13.982 3.696 9.960 1.00 0.00 H new ATOM 0 HA ASP A 3 -13.840 5.841 9.111 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -11.060 4.915 8.259 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -11.572 6.574 8.493 1.00 0.00 H new ATOM 23 N LYS A 4 -14.691 5.456 6.729 1.00 0.00 N ATOM 24 CA LYS A 4 -15.053 5.453 5.284 1.00 0.00 C ATOM 25 C LYS A 4 -14.232 6.496 4.524 1.00 0.00 C ATOM 26 O LYS A 4 -14.518 6.796 3.383 1.00 0.00 O ATOM 27 CB LYS A 4 -16.538 5.774 5.116 1.00 0.00 C ATOM 28 CG LYS A 4 -17.379 4.834 5.992 1.00 0.00 C ATOM 29 CD LYS A 4 -18.282 3.955 5.117 1.00 0.00 C ATOM 30 CE LYS A 4 -19.450 4.778 4.556 1.00 0.00 C ATOM 31 NZ LYS A 4 -19.098 6.228 4.534 1.00 0.00 N ATOM 0 H LYS A 4 -15.445 5.717 7.364 1.00 0.00 H new ATOM 0 HA LYS A 4 -14.841 4.463 4.882 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -16.728 6.811 5.393 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -16.826 5.666 4.070 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -16.724 4.206 6.596 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -17.987 5.417 6.683 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -17.702 3.529 4.298 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -18.666 3.120 5.703 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -19.691 4.440 3.548 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -20.340 4.622 5.166 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -19.939 6.786 4.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -18.760 6.517 5.474 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -18.350 6.393 3.831 1.00 0.00 H new ATOM 45 N GLU A 5 -13.224 7.051 5.140 1.00 0.00 N ATOM 46 CA GLU A 5 -12.394 8.073 4.447 1.00 0.00 C ATOM 47 C GLU A 5 -10.918 7.839 4.781 1.00 0.00 C ATOM 48 O GLU A 5 -10.170 8.772 4.997 1.00 0.00 O ATOM 49 CB GLU A 5 -12.810 9.472 4.920 1.00 0.00 C ATOM 50 CG GLU A 5 -14.048 9.934 4.147 1.00 0.00 C ATOM 51 CD GLU A 5 -13.612 10.665 2.876 1.00 0.00 C ATOM 52 OE1 GLU A 5 -12.812 11.579 2.988 1.00 0.00 O ATOM 53 OE2 GLU A 5 -14.084 10.299 1.813 1.00 0.00 O ATOM 0 H GLU A 5 -12.940 6.839 6.096 1.00 0.00 H new ATOM 0 HA GLU A 5 -12.540 7.995 3.370 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -13.022 9.456 5.989 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -11.992 10.176 4.768 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -14.671 9.077 3.891 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -14.653 10.593 4.769 1.00 0.00 H new ATOM 60 N LEU A 6 -10.477 6.608 4.824 1.00 0.00 N ATOM 61 CA LEU A 6 -9.052 6.374 5.141 1.00 0.00 C ATOM 62 C LEU A 6 -8.221 6.730 3.901 1.00 0.00 C ATOM 63 O LEU A 6 -8.531 6.328 2.799 1.00 0.00 O ATOM 64 CB LEU A 6 -8.856 4.912 5.562 1.00 0.00 C ATOM 65 CG LEU A 6 -7.430 4.683 6.073 1.00 0.00 C ATOM 66 CD1 LEU A 6 -7.168 5.539 7.314 1.00 0.00 C ATOM 67 CD2 LEU A 6 -7.267 3.213 6.443 1.00 0.00 C ATOM 0 H LEU A 6 -11.037 5.773 4.655 1.00 0.00 H new ATOM 0 HA LEU A 6 -8.725 6.999 5.972 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -9.573 4.653 6.341 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -9.054 4.255 4.715 1.00 0.00 H new ATOM 0 HG LEU A 6 -6.722 4.960 5.292 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -6.151 5.367 7.667 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -7.291 6.592 7.062 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -7.875 5.269 8.098 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -6.255 3.040 6.808 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -7.983 2.952 7.222 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -7.446 2.594 5.564 1.00 0.00 H new ATOM 79 N LYS A 7 -7.204 7.533 4.066 1.00 0.00 N ATOM 80 CA LYS A 7 -6.392 7.975 2.891 1.00 0.00 C ATOM 81 C LYS A 7 -5.376 6.910 2.462 1.00 0.00 C ATOM 82 O LYS A 7 -4.543 6.480 3.239 1.00 0.00 O ATOM 83 CB LYS A 7 -5.648 9.258 3.264 1.00 0.00 C ATOM 84 CG LYS A 7 -6.550 10.470 2.998 1.00 0.00 C ATOM 85 CD LYS A 7 -5.915 11.744 3.571 1.00 0.00 C ATOM 86 CE LYS A 7 -4.928 12.331 2.557 1.00 0.00 C ATOM 87 NZ LYS A 7 -5.639 13.298 1.675 1.00 0.00 N ATOM 0 H LYS A 7 -6.898 7.904 4.966 1.00 0.00 H new ATOM 0 HA LYS A 7 -7.069 8.144 2.053 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -5.359 9.231 4.315 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -4.730 9.340 2.682 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -6.708 10.585 1.926 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -7.529 10.309 3.449 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -6.690 12.475 3.804 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -5.400 11.517 4.504 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -4.110 12.830 3.077 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -4.487 11.533 1.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -5.060 13.490 0.833 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -6.552 12.895 1.383 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -5.802 14.185 2.193 1.00 0.00 H new ATOM 101 N PHE A 8 -5.426 6.513 1.207 1.00 0.00 N ATOM 102 CA PHE A 8 -4.462 5.512 0.683 1.00 0.00 C ATOM 103 C PHE A 8 -3.563 6.179 -0.351 1.00 0.00 C ATOM 104 O PHE A 8 -4.010 7.002 -1.123 1.00 0.00 O ATOM 105 CB PHE A 8 -5.208 4.379 -0.029 1.00 0.00 C ATOM 106 CG PHE A 8 -6.137 3.671 0.923 1.00 0.00 C ATOM 107 CD1 PHE A 8 -7.332 4.276 1.309 1.00 0.00 C ATOM 108 CD2 PHE A 8 -5.800 2.406 1.416 1.00 0.00 C ATOM 109 CE1 PHE A 8 -8.193 3.618 2.190 1.00 0.00 C ATOM 110 CE2 PHE A 8 -6.661 1.745 2.304 1.00 0.00 C ATOM 111 CZ PHE A 8 -7.860 2.354 2.688 1.00 0.00 C ATOM 0 H PHE A 8 -6.105 6.850 0.524 1.00 0.00 H new ATOM 0 HA PHE A 8 -3.884 5.118 1.519 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -5.776 4.782 -0.867 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -4.492 3.669 -0.442 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -7.592 5.252 0.927 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -4.875 1.938 1.112 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -9.119 4.087 2.488 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -6.399 0.771 2.689 1.00 0.00 H new ATOM 0 HZ PHE A 8 -8.529 1.848 3.369 1.00 0.00 H new ATOM 121 N LEU A 9 -2.313 5.807 -0.392 1.00 0.00 N ATOM 122 CA LEU A 9 -1.389 6.391 -1.409 1.00 0.00 C ATOM 123 C LEU A 9 -0.998 5.287 -2.393 1.00 0.00 C ATOM 124 O LEU A 9 -0.281 4.370 -2.049 1.00 0.00 O ATOM 125 CB LEU A 9 -0.132 6.940 -0.727 1.00 0.00 C ATOM 126 CG LEU A 9 0.917 7.323 -1.787 1.00 0.00 C ATOM 127 CD1 LEU A 9 0.286 8.228 -2.844 1.00 0.00 C ATOM 128 CD2 LEU A 9 2.076 8.068 -1.123 1.00 0.00 C ATOM 0 H LEU A 9 -1.890 5.123 0.235 1.00 0.00 H new ATOM 0 HA LEU A 9 -1.885 7.209 -1.933 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -0.387 7.811 -0.124 1.00 0.00 H new ATOM 0 HB3 LEU A 9 0.280 6.192 -0.049 1.00 0.00 H new ATOM 0 HG LEU A 9 1.286 6.412 -2.259 1.00 0.00 H new ATOM 0 HD11 LEU A 9 1.035 8.494 -3.590 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -0.537 7.703 -3.328 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -0.091 9.134 -2.369 1.00 0.00 H new ATOM 0 HD21 LEU A 9 2.816 8.337 -1.877 1.00 0.00 H new ATOM 0 HD22 LEU A 9 1.701 8.973 -0.644 1.00 0.00 H new ATOM 0 HD23 LEU A 9 2.539 7.426 -0.373 1.00 0.00 H new ATOM 140 N VAL A 10 -1.464 5.362 -3.610 1.00 0.00 N ATOM 141 CA VAL A 10 -1.111 4.302 -4.599 1.00 0.00 C ATOM 142 C VAL A 10 0.131 4.730 -5.381 1.00 0.00 C ATOM 143 O VAL A 10 0.075 5.608 -6.219 1.00 0.00 O ATOM 144 CB VAL A 10 -2.283 4.093 -5.558 1.00 0.00 C ATOM 145 CG1 VAL A 10 -2.487 2.597 -5.797 1.00 0.00 C ATOM 146 CG2 VAL A 10 -3.552 4.680 -4.942 1.00 0.00 C ATOM 0 H VAL A 10 -2.069 6.105 -3.961 1.00 0.00 H new ATOM 0 HA VAL A 10 -0.902 3.368 -4.078 1.00 0.00 H new ATOM 0 HB VAL A 10 -2.069 4.589 -6.505 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -3.323 2.448 -6.481 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -1.583 2.171 -6.232 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -2.701 2.103 -4.849 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -4.389 4.532 -5.624 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -3.762 4.181 -3.996 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -3.411 5.746 -4.766 1.00 0.00 H new ATOM 156 N VAL A 11 1.256 4.124 -5.108 1.00 0.00 N ATOM 157 CA VAL A 11 2.496 4.506 -5.829 1.00 0.00 C ATOM 158 C VAL A 11 2.644 3.657 -7.093 1.00 0.00 C ATOM 159 O VAL A 11 3.704 3.581 -7.681 1.00 0.00 O ATOM 160 CB VAL A 11 3.711 4.289 -4.921 1.00 0.00 C ATOM 161 CG1 VAL A 11 4.958 4.920 -5.555 1.00 0.00 C ATOM 162 CG2 VAL A 11 3.451 4.941 -3.561 1.00 0.00 C ATOM 0 H VAL A 11 1.366 3.382 -4.417 1.00 0.00 H new ATOM 0 HA VAL A 11 2.436 5.558 -6.107 1.00 0.00 H new ATOM 0 HB VAL A 11 3.875 3.219 -4.793 1.00 0.00 H new ATOM 0 HG11 VAL A 11 5.817 4.761 -4.903 1.00 0.00 H new ATOM 0 HG12 VAL A 11 5.147 4.458 -6.524 1.00 0.00 H new ATOM 0 HG13 VAL A 11 4.797 5.990 -5.689 1.00 0.00 H new ATOM 0 HG21 VAL A 11 4.314 4.788 -2.913 1.00 0.00 H new ATOM 0 HG22 VAL A 11 3.283 6.010 -3.696 1.00 0.00 H new ATOM 0 HG23 VAL A 11 2.570 4.490 -3.104 1.00 0.00 H new ATOM 172 N ASP A 12 1.592 3.015 -7.518 1.00 0.00 N ATOM 173 CA ASP A 12 1.680 2.174 -8.744 1.00 0.00 C ATOM 174 C ASP A 12 2.300 2.991 -9.879 1.00 0.00 C ATOM 175 O ASP A 12 2.353 4.204 -9.825 1.00 0.00 O ATOM 176 CB ASP A 12 0.278 1.716 -9.151 1.00 0.00 C ATOM 177 CG ASP A 12 -0.680 2.906 -9.110 1.00 0.00 C ATOM 178 OD1 ASP A 12 -0.219 4.004 -8.842 1.00 0.00 O ATOM 179 OD2 ASP A 12 -1.858 2.699 -9.347 1.00 0.00 O ATOM 0 H ASP A 12 0.676 3.036 -7.070 1.00 0.00 H new ATOM 0 HA ASP A 12 2.302 1.302 -8.542 1.00 0.00 H new ATOM 0 HB2 ASP A 12 0.300 1.288 -10.153 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -0.070 0.932 -8.478 1.00 0.00 H new ATOM 184 N ASP A 13 2.770 2.336 -10.906 1.00 0.00 N ATOM 185 CA ASP A 13 3.386 3.072 -12.046 1.00 0.00 C ATOM 186 C ASP A 13 3.060 2.343 -13.350 1.00 0.00 C ATOM 187 O ASP A 13 3.844 2.326 -14.278 1.00 0.00 O ATOM 188 CB ASP A 13 4.904 3.128 -11.859 1.00 0.00 C ATOM 189 CG ASP A 13 5.475 1.709 -11.884 1.00 0.00 C ATOM 190 OD1 ASP A 13 4.694 0.776 -11.800 1.00 0.00 O ATOM 191 OD2 ASP A 13 6.684 1.580 -11.988 1.00 0.00 O ATOM 0 H ASP A 13 2.754 1.321 -11.004 1.00 0.00 H new ATOM 0 HA ASP A 13 2.989 4.087 -12.083 1.00 0.00 H new ATOM 0 HB2 ASP A 13 5.356 3.727 -12.649 1.00 0.00 H new ATOM 0 HB3 ASP A 13 5.147 3.612 -10.913 1.00 0.00 H new ATOM 196 N PHE A 14 1.906 1.738 -13.427 1.00 0.00 N ATOM 197 CA PHE A 14 1.526 1.007 -14.667 1.00 0.00 C ATOM 198 C PHE A 14 0.957 1.993 -15.690 1.00 0.00 C ATOM 199 O PHE A 14 1.609 2.359 -16.647 1.00 0.00 O ATOM 200 CB PHE A 14 0.465 -0.045 -14.328 1.00 0.00 C ATOM 201 CG PHE A 14 0.228 -0.927 -15.531 1.00 0.00 C ATOM 202 CD1 PHE A 14 -0.747 -0.578 -16.474 1.00 0.00 C ATOM 203 CD2 PHE A 14 0.981 -2.095 -15.701 1.00 0.00 C ATOM 204 CE1 PHE A 14 -0.967 -1.396 -17.587 1.00 0.00 C ATOM 205 CE2 PHE A 14 0.760 -2.913 -16.816 1.00 0.00 C ATOM 206 CZ PHE A 14 -0.214 -2.563 -17.759 1.00 0.00 C ATOM 0 H PHE A 14 1.209 1.719 -12.682 1.00 0.00 H new ATOM 0 HA PHE A 14 2.406 0.519 -15.087 1.00 0.00 H new ATOM 0 HB2 PHE A 14 0.793 -0.648 -13.481 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -0.464 0.442 -14.032 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -1.329 0.322 -16.342 1.00 0.00 H new ATOM 0 HD2 PHE A 14 1.732 -2.365 -14.973 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -1.719 -1.127 -18.314 1.00 0.00 H new ATOM 0 HE2 PHE A 14 1.341 -3.814 -16.949 1.00 0.00 H new ATOM 0 HZ PHE A 14 -0.384 -3.194 -18.619 1.00 0.00 H new ATOM 216 N SER A 15 -0.259 2.422 -15.492 1.00 0.00 N ATOM 217 CA SER A 15 -0.886 3.381 -16.446 1.00 0.00 C ATOM 218 C SER A 15 -2.390 3.423 -16.175 1.00 0.00 C ATOM 219 O SER A 15 -3.050 4.416 -16.409 1.00 0.00 O ATOM 220 CB SER A 15 -0.636 2.918 -17.881 1.00 0.00 C ATOM 221 OG SER A 15 0.500 3.597 -18.403 1.00 0.00 O ATOM 0 H SER A 15 -0.849 2.148 -14.706 1.00 0.00 H new ATOM 0 HA SER A 15 -0.454 4.373 -16.315 1.00 0.00 H new ATOM 0 HB2 SER A 15 -0.473 1.841 -17.904 1.00 0.00 H new ATOM 0 HB3 SER A 15 -1.511 3.121 -18.499 1.00 0.00 H new ATOM 0 HG SER A 15 1.294 3.353 -17.883 1.00 0.00 H new ATOM 227 N THR A 16 -2.926 2.345 -15.673 1.00 0.00 N ATOM 228 CA THR A 16 -4.381 2.294 -15.365 1.00 0.00 C ATOM 229 C THR A 16 -4.571 1.535 -14.052 1.00 0.00 C ATOM 230 O THR A 16 -5.660 1.444 -13.521 1.00 0.00 O ATOM 231 CB THR A 16 -5.121 1.569 -16.491 1.00 0.00 C ATOM 232 OG1 THR A 16 -6.292 0.957 -15.969 1.00 0.00 O ATOM 233 CG2 THR A 16 -4.210 0.499 -17.096 1.00 0.00 C ATOM 0 H THR A 16 -2.412 1.490 -15.461 1.00 0.00 H new ATOM 0 HA THR A 16 -4.780 3.304 -15.275 1.00 0.00 H new ATOM 0 HB THR A 16 -5.399 2.286 -17.264 1.00 0.00 H new ATOM 0 HG1 THR A 16 -6.488 1.328 -15.083 1.00 0.00 H new ATOM 0 HG21 THR A 16 -4.738 -0.017 -17.898 1.00 0.00 H new ATOM 0 HG22 THR A 16 -3.312 0.970 -17.496 1.00 0.00 H new ATOM 0 HG23 THR A 16 -3.930 -0.219 -16.325 1.00 0.00 H new ATOM 241 N MET A 17 -3.506 0.992 -13.524 1.00 0.00 N ATOM 242 CA MET A 17 -3.602 0.240 -12.244 1.00 0.00 C ATOM 243 C MET A 17 -4.214 1.142 -11.172 1.00 0.00 C ATOM 244 O MET A 17 -4.993 0.706 -10.349 1.00 0.00 O ATOM 245 CB MET A 17 -2.199 -0.191 -11.807 1.00 0.00 C ATOM 246 CG MET A 17 -2.285 -0.956 -10.486 1.00 0.00 C ATOM 247 SD MET A 17 -1.190 -2.396 -10.551 1.00 0.00 S ATOM 248 CE MET A 17 -2.349 -3.522 -11.365 1.00 0.00 C ATOM 0 H MET A 17 -2.571 1.039 -13.928 1.00 0.00 H new ATOM 0 HA MET A 17 -4.230 -0.641 -12.380 1.00 0.00 H new ATOM 0 HB2 MET A 17 -1.745 -0.819 -12.574 1.00 0.00 H new ATOM 0 HB3 MET A 17 -1.559 0.683 -11.691 1.00 0.00 H new ATOM 0 HG2 MET A 17 -2.001 -0.307 -9.658 1.00 0.00 H new ATOM 0 HG3 MET A 17 -3.311 -1.274 -10.304 1.00 0.00 H new ATOM 0 HE1 MET A 17 -1.851 -4.469 -11.572 1.00 0.00 H new ATOM 0 HE2 MET A 17 -3.205 -3.697 -10.713 1.00 0.00 H new ATOM 0 HE3 MET A 17 -2.690 -3.079 -12.301 1.00 0.00 H new ATOM 258 N ARG A 18 -3.865 2.399 -11.177 1.00 0.00 N ATOM 259 CA ARG A 18 -4.425 3.334 -10.160 1.00 0.00 C ATOM 260 C ARG A 18 -5.938 3.425 -10.317 1.00 0.00 C ATOM 261 O ARG A 18 -6.687 3.198 -9.387 1.00 0.00 O ATOM 262 CB ARG A 18 -3.838 4.731 -10.357 1.00 0.00 C ATOM 263 CG ARG A 18 -2.826 4.716 -11.508 1.00 0.00 C ATOM 264 CD ARG A 18 -2.239 6.117 -11.696 1.00 0.00 C ATOM 265 NE ARG A 18 -2.890 6.771 -12.865 1.00 0.00 N ATOM 266 CZ ARG A 18 -4.190 6.874 -12.918 1.00 0.00 C ATOM 267 NH1 ARG A 18 -4.839 7.456 -11.947 1.00 0.00 N ATOM 268 NH2 ARG A 18 -4.841 6.391 -13.941 1.00 0.00 N ATOM 0 H ARG A 18 -3.216 2.820 -11.842 1.00 0.00 H new ATOM 0 HA ARG A 18 -4.172 2.958 -9.169 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -4.635 5.443 -10.572 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -3.353 5.063 -9.439 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -2.030 4.003 -11.296 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -3.311 4.388 -12.427 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -2.396 6.713 -10.797 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -1.162 6.055 -11.853 1.00 0.00 H new ATOM 0 HE ARG A 18 -2.319 7.139 -13.626 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -4.330 7.831 -11.146 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -5.855 7.536 -11.989 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -4.334 5.933 -14.698 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -5.857 6.471 -13.983 1.00 0.00 H new ATOM 282 N ARG A 19 -6.392 3.780 -11.482 1.00 0.00 N ATOM 283 CA ARG A 19 -7.854 3.915 -11.697 1.00 0.00 C ATOM 284 C ARG A 19 -8.567 2.621 -11.291 1.00 0.00 C ATOM 285 O ARG A 19 -9.713 2.634 -10.889 1.00 0.00 O ATOM 286 CB ARG A 19 -8.128 4.209 -13.174 1.00 0.00 C ATOM 287 CG ARG A 19 -8.926 5.509 -13.299 1.00 0.00 C ATOM 288 CD ARG A 19 -9.270 5.756 -14.770 1.00 0.00 C ATOM 289 NE ARG A 19 -9.483 7.214 -14.992 1.00 0.00 N ATOM 290 CZ ARG A 19 -9.326 7.721 -16.185 1.00 0.00 C ATOM 291 NH1 ARG A 19 -9.885 7.150 -17.216 1.00 0.00 N ATOM 292 NH2 ARG A 19 -8.611 8.801 -16.346 1.00 0.00 N ATOM 0 H ARG A 19 -5.812 3.983 -12.296 1.00 0.00 H new ATOM 0 HA ARG A 19 -8.230 4.735 -11.085 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -7.188 4.294 -13.719 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -8.683 3.385 -13.622 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -9.839 5.447 -12.706 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -8.346 6.344 -12.905 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -8.464 5.394 -15.409 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -10.167 5.201 -15.043 1.00 0.00 H new ATOM 0 HE ARG A 19 -9.751 7.815 -14.213 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -10.445 6.307 -17.091 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -9.762 7.547 -18.148 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -8.175 9.249 -15.540 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -8.488 9.197 -17.278 1.00 0.00 H new ATOM 306 N ILE A 20 -7.902 1.504 -11.396 1.00 0.00 N ATOM 307 CA ILE A 20 -8.545 0.213 -11.020 1.00 0.00 C ATOM 308 C ILE A 20 -8.783 0.178 -9.509 1.00 0.00 C ATOM 309 O ILE A 20 -9.894 0.006 -9.048 1.00 0.00 O ATOM 310 CB ILE A 20 -7.627 -0.948 -11.434 1.00 0.00 C ATOM 311 CG1 ILE A 20 -8.019 -1.427 -12.833 1.00 0.00 C ATOM 312 CG2 ILE A 20 -7.753 -2.116 -10.446 1.00 0.00 C ATOM 313 CD1 ILE A 20 -6.895 -2.290 -13.410 1.00 0.00 C ATOM 0 H ILE A 20 -6.940 1.429 -11.726 1.00 0.00 H new ATOM 0 HA ILE A 20 -9.503 0.117 -11.531 1.00 0.00 H new ATOM 0 HB ILE A 20 -6.595 -0.597 -11.432 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -8.945 -2.000 -12.787 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -8.206 -0.572 -13.483 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -7.095 -2.928 -10.757 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -7.469 -1.781 -9.448 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -8.784 -2.470 -10.431 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -7.174 -2.632 -14.407 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -5.979 -1.702 -13.471 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -6.730 -3.152 -12.764 1.00 0.00 H new ATOM 325 N VAL A 21 -7.746 0.324 -8.734 1.00 0.00 N ATOM 326 CA VAL A 21 -7.913 0.282 -7.254 1.00 0.00 C ATOM 327 C VAL A 21 -8.823 1.424 -6.798 1.00 0.00 C ATOM 328 O VAL A 21 -9.559 1.297 -5.840 1.00 0.00 O ATOM 329 CB VAL A 21 -6.548 0.405 -6.573 1.00 0.00 C ATOM 330 CG1 VAL A 21 -6.279 -0.857 -5.761 1.00 0.00 C ATOM 331 CG2 VAL A 21 -5.458 0.560 -7.632 1.00 0.00 C ATOM 0 H VAL A 21 -6.791 0.470 -9.060 1.00 0.00 H new ATOM 0 HA VAL A 21 -8.368 -0.669 -6.976 1.00 0.00 H new ATOM 0 HB VAL A 21 -6.546 1.277 -5.919 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -5.308 -0.776 -5.273 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -7.056 -0.976 -5.006 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -6.281 -1.723 -6.423 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -4.487 0.647 -7.145 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -5.459 -0.312 -8.285 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -5.649 1.456 -8.223 1.00 0.00 H new ATOM 341 N ARG A 22 -8.784 2.538 -7.476 1.00 0.00 N ATOM 342 CA ARG A 22 -9.655 3.681 -7.079 1.00 0.00 C ATOM 343 C ARG A 22 -11.083 3.182 -6.865 1.00 0.00 C ATOM 344 O ARG A 22 -11.671 3.370 -5.817 1.00 0.00 O ATOM 345 CB ARG A 22 -9.656 4.721 -8.200 1.00 0.00 C ATOM 346 CG ARG A 22 -8.721 5.884 -7.842 1.00 0.00 C ATOM 347 CD ARG A 22 -9.438 6.873 -6.915 1.00 0.00 C ATOM 348 NE ARG A 22 -10.580 6.200 -6.233 1.00 0.00 N ATOM 349 CZ ARG A 22 -11.326 6.868 -5.397 1.00 0.00 C ATOM 350 NH1 ARG A 22 -11.201 8.164 -5.303 1.00 0.00 N ATOM 351 NH2 ARG A 22 -12.198 6.241 -4.656 1.00 0.00 N ATOM 0 H ARG A 22 -8.188 2.706 -8.286 1.00 0.00 H new ATOM 0 HA ARG A 22 -9.278 4.124 -6.157 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -9.335 4.260 -9.134 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -10.668 5.094 -8.360 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -7.824 5.502 -7.355 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -8.398 6.394 -8.750 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -8.739 7.261 -6.174 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -9.799 7.726 -7.490 1.00 0.00 H new ATOM 0 HE ARG A 22 -10.778 5.217 -6.420 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -10.520 8.654 -5.883 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -11.784 8.687 -4.649 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -12.296 5.228 -4.730 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -12.781 6.763 -4.002 1.00 0.00 H new ATOM 365 N ASN A 23 -11.640 2.543 -7.852 1.00 0.00 N ATOM 366 CA ASN A 23 -13.015 2.020 -7.742 1.00 0.00 C ATOM 367 C ASN A 23 -13.064 0.966 -6.645 1.00 0.00 C ATOM 368 O ASN A 23 -13.810 1.067 -5.695 1.00 0.00 O ATOM 369 CB ASN A 23 -13.346 1.359 -9.065 1.00 0.00 C ATOM 370 CG ASN A 23 -14.736 1.786 -9.537 1.00 0.00 C ATOM 371 OD1 ASN A 23 -15.732 1.418 -8.947 1.00 0.00 O ATOM 372 ND2 ASN A 23 -14.846 2.555 -10.587 1.00 0.00 N ATOM 0 H ASN A 23 -11.185 2.361 -8.747 1.00 0.00 H new ATOM 0 HA ASN A 23 -13.718 2.819 -7.508 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -12.601 1.632 -9.812 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -13.308 0.275 -8.958 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -15.768 2.846 -10.911 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -14.010 2.864 -11.083 1.00 0.00 H new ATOM 379 N LEU A 24 -12.264 -0.049 -6.798 1.00 0.00 N ATOM 380 CA LEU A 24 -12.218 -1.158 -5.803 1.00 0.00 C ATOM 381 C LEU A 24 -12.331 -0.592 -4.380 1.00 0.00 C ATOM 382 O LEU A 24 -13.208 -0.963 -3.626 1.00 0.00 O ATOM 383 CB LEU A 24 -10.883 -1.888 -5.974 1.00 0.00 C ATOM 384 CG LEU A 24 -10.895 -3.264 -5.271 1.00 0.00 C ATOM 385 CD1 LEU A 24 -10.383 -4.325 -6.246 1.00 0.00 C ATOM 386 CD2 LEU A 24 -9.994 -3.269 -4.023 1.00 0.00 C ATOM 0 H LEU A 24 -11.626 -0.161 -7.586 1.00 0.00 H new ATOM 0 HA LEU A 24 -13.048 -1.846 -5.963 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -10.674 -2.022 -7.035 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -10.078 -1.277 -5.566 1.00 0.00 H new ATOM 0 HG LEU A 24 -11.918 -3.477 -4.960 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -10.388 -5.300 -5.758 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -11.029 -4.355 -7.123 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -9.367 -4.078 -6.552 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -10.027 -4.253 -3.554 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -8.969 -3.040 -4.314 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -10.347 -2.518 -3.316 1.00 0.00 H new ATOM 398 N LEU A 25 -11.462 0.311 -4.011 1.00 0.00 N ATOM 399 CA LEU A 25 -11.540 0.904 -2.643 1.00 0.00 C ATOM 400 C LEU A 25 -12.892 1.595 -2.479 1.00 0.00 C ATOM 401 O LEU A 25 -13.536 1.489 -1.453 1.00 0.00 O ATOM 402 CB LEU A 25 -10.414 1.927 -2.464 1.00 0.00 C ATOM 403 CG LEU A 25 -9.182 1.237 -1.875 1.00 0.00 C ATOM 404 CD1 LEU A 25 -7.929 2.034 -2.241 1.00 0.00 C ATOM 405 CD2 LEU A 25 -9.314 1.171 -0.353 1.00 0.00 C ATOM 0 H LEU A 25 -10.704 0.663 -4.595 1.00 0.00 H new ATOM 0 HA LEU A 25 -11.434 0.120 -1.893 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -10.165 2.381 -3.423 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -10.742 2.732 -1.806 1.00 0.00 H new ATOM 0 HG LEU A 25 -9.103 0.227 -2.278 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -7.050 1.543 -1.822 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -7.834 2.084 -3.326 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -8.009 3.043 -1.837 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -8.437 0.679 0.067 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -9.392 2.181 0.050 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -10.208 0.605 -0.089 1.00 0.00 H new ATOM 417 N LYS A 26 -13.331 2.302 -3.483 1.00 0.00 N ATOM 418 CA LYS A 26 -14.640 2.996 -3.390 1.00 0.00 C ATOM 419 C LYS A 26 -15.743 1.970 -3.123 1.00 0.00 C ATOM 420 O LYS A 26 -16.648 2.203 -2.346 1.00 0.00 O ATOM 421 CB LYS A 26 -14.929 3.725 -4.704 1.00 0.00 C ATOM 422 CG LYS A 26 -16.107 4.682 -4.508 1.00 0.00 C ATOM 423 CD LYS A 26 -16.421 5.394 -5.828 1.00 0.00 C ATOM 424 CE LYS A 26 -15.583 6.669 -5.932 1.00 0.00 C ATOM 425 NZ LYS A 26 -16.307 7.795 -5.277 1.00 0.00 N ATOM 0 H LYS A 26 -12.836 2.428 -4.366 1.00 0.00 H new ATOM 0 HA LYS A 26 -14.609 3.719 -2.574 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -14.047 4.278 -5.027 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -15.159 3.005 -5.489 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -16.982 4.131 -4.164 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -15.868 5.414 -3.737 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -16.206 4.735 -6.669 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -17.482 5.638 -5.878 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -14.614 6.520 -5.456 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -15.391 6.906 -6.978 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -16.602 8.484 -5.998 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -17.146 7.428 -4.785 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -15.679 8.259 -4.591 1.00 0.00 H new ATOM 439 N GLU A 27 -15.677 0.837 -3.766 1.00 0.00 N ATOM 440 CA GLU A 27 -16.719 -0.202 -3.559 1.00 0.00 C ATOM 441 C GLU A 27 -16.862 -0.487 -2.066 1.00 0.00 C ATOM 442 O GLU A 27 -17.952 -0.546 -1.535 1.00 0.00 O ATOM 443 CB GLU A 27 -16.317 -1.485 -4.288 1.00 0.00 C ATOM 444 CG GLU A 27 -17.234 -1.697 -5.494 1.00 0.00 C ATOM 445 CD GLU A 27 -16.685 -2.832 -6.360 1.00 0.00 C ATOM 446 OE1 GLU A 27 -15.505 -3.120 -6.246 1.00 0.00 O ATOM 447 OE2 GLU A 27 -17.454 -3.393 -7.123 1.00 0.00 O ATOM 0 H GLU A 27 -14.942 0.587 -4.428 1.00 0.00 H new ATOM 0 HA GLU A 27 -17.670 0.155 -3.955 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -15.279 -1.420 -4.614 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -16.386 -2.337 -3.611 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -18.243 -1.937 -5.159 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -17.302 -0.779 -6.079 1.00 0.00 H new ATOM 454 N LEU A 28 -15.766 -0.661 -1.384 1.00 0.00 N ATOM 455 CA LEU A 28 -15.836 -0.938 0.076 1.00 0.00 C ATOM 456 C LEU A 28 -16.392 0.292 0.792 1.00 0.00 C ATOM 457 O LEU A 28 -17.381 0.223 1.495 1.00 0.00 O ATOM 458 CB LEU A 28 -14.435 -1.250 0.606 1.00 0.00 C ATOM 459 CG LEU A 28 -14.149 -2.742 0.439 1.00 0.00 C ATOM 460 CD1 LEU A 28 -14.301 -3.130 -1.033 1.00 0.00 C ATOM 461 CD2 LEU A 28 -12.720 -3.041 0.899 1.00 0.00 C ATOM 0 H LEU A 28 -14.825 -0.623 -1.775 1.00 0.00 H new ATOM 0 HA LEU A 28 -16.487 -1.794 0.257 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -13.691 -0.663 0.067 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -14.361 -0.970 1.657 1.00 0.00 H new ATOM 0 HG LEU A 28 -14.854 -3.316 1.041 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -14.097 -4.194 -1.152 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -15.318 -2.917 -1.362 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -13.597 -2.556 -1.635 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -12.515 -4.105 0.780 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -12.016 -2.466 0.297 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -12.610 -2.765 1.948 1.00 0.00 H new ATOM 473 N GLY A 29 -15.762 1.416 0.616 1.00 0.00 N ATOM 474 CA GLY A 29 -16.239 2.651 1.277 1.00 0.00 C ATOM 475 C GLY A 29 -15.053 3.566 1.577 1.00 0.00 C ATOM 476 O GLY A 29 -14.686 3.762 2.712 1.00 0.00 O ATOM 0 H GLY A 29 -14.930 1.530 0.037 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -16.954 3.165 0.635 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -16.761 2.402 2.201 1.00 0.00 H new ATOM 480 N PHE A 30 -14.446 4.128 0.570 1.00 0.00 N ATOM 481 CA PHE A 30 -13.286 5.032 0.815 1.00 0.00 C ATOM 482 C PHE A 30 -13.228 6.089 -0.294 1.00 0.00 C ATOM 483 O PHE A 30 -13.309 5.769 -1.463 1.00 0.00 O ATOM 484 CB PHE A 30 -11.991 4.211 0.818 1.00 0.00 C ATOM 485 CG PHE A 30 -11.966 3.300 2.023 1.00 0.00 C ATOM 486 CD1 PHE A 30 -11.532 3.784 3.259 1.00 0.00 C ATOM 487 CD2 PHE A 30 -12.375 1.969 1.898 1.00 0.00 C ATOM 488 CE1 PHE A 30 -11.506 2.936 4.375 1.00 0.00 C ATOM 489 CE2 PHE A 30 -12.352 1.120 3.012 1.00 0.00 C ATOM 490 CZ PHE A 30 -11.916 1.605 4.250 1.00 0.00 C ATOM 0 H PHE A 30 -14.701 4.002 -0.410 1.00 0.00 H new ATOM 0 HA PHE A 30 -13.400 5.525 1.780 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -11.921 3.622 -0.096 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -11.128 4.876 0.836 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -11.216 4.812 3.355 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -12.709 1.595 0.942 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -11.170 3.310 5.331 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -12.670 0.093 2.915 1.00 0.00 H new ATOM 0 HZ PHE A 30 -11.896 0.951 5.109 1.00 0.00 H new ATOM 500 N ASN A 31 -13.103 7.346 0.064 1.00 0.00 N ATOM 501 CA ASN A 31 -13.054 8.424 -0.967 1.00 0.00 C ATOM 502 C ASN A 31 -11.907 9.398 -0.654 1.00 0.00 C ATOM 503 O ASN A 31 -12.118 10.525 -0.253 1.00 0.00 O ATOM 504 CB ASN A 31 -14.392 9.170 -0.962 1.00 0.00 C ATOM 505 CG ASN A 31 -15.289 8.615 -2.070 1.00 0.00 C ATOM 506 OD1 ASN A 31 -15.690 9.408 -3.026 1.00 0.00 O flip ATOM 507 ND2 ASN A 31 -15.630 7.449 -2.066 1.00 0.00 N flip ATOM 0 H ASN A 31 -13.033 7.669 1.029 1.00 0.00 H new ATOM 0 HA ASN A 31 -12.879 7.988 -1.950 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -14.880 9.057 0.006 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -14.226 10.237 -1.113 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -15.317 6.829 -1.319 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -16.229 7.090 -2.809 1.00 0.00 H new ATOM 514 N ASN A 32 -10.688 8.967 -0.841 1.00 0.00 N ATOM 515 CA ASN A 32 -9.518 9.854 -0.568 1.00 0.00 C ATOM 516 C ASN A 32 -8.237 9.097 -0.935 1.00 0.00 C ATOM 517 O ASN A 32 -7.751 8.282 -0.179 1.00 0.00 O ATOM 518 CB ASN A 32 -9.486 10.241 0.917 1.00 0.00 C ATOM 519 CG ASN A 32 -9.101 11.715 1.050 1.00 0.00 C ATOM 520 OD1 ASN A 32 -8.003 12.102 0.702 1.00 0.00 O ATOM 521 ND2 ASN A 32 -9.966 12.560 1.540 1.00 0.00 N ATOM 0 H ASN A 32 -10.450 8.032 -1.173 1.00 0.00 H new ATOM 0 HA ASN A 32 -9.598 10.764 -1.162 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -10.462 10.066 1.371 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -8.770 9.617 1.451 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -9.721 13.546 1.631 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -10.888 12.235 1.832 1.00 0.00 H new ATOM 528 N VAL A 33 -7.699 9.342 -2.104 1.00 0.00 N ATOM 529 CA VAL A 33 -6.468 8.608 -2.526 1.00 0.00 C ATOM 530 C VAL A 33 -5.589 9.500 -3.411 1.00 0.00 C ATOM 531 O VAL A 33 -6.086 10.331 -4.144 1.00 0.00 O ATOM 532 CB VAL A 33 -6.895 7.382 -3.336 1.00 0.00 C ATOM 533 CG1 VAL A 33 -5.662 6.642 -3.854 1.00 0.00 C ATOM 534 CG2 VAL A 33 -7.720 6.445 -2.454 1.00 0.00 C ATOM 0 H VAL A 33 -8.057 10.015 -2.781 1.00 0.00 H new ATOM 0 HA VAL A 33 -5.900 8.317 -1.643 1.00 0.00 H new ATOM 0 HB VAL A 33 -7.498 7.709 -4.183 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -5.975 5.771 -4.429 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -5.079 7.307 -4.491 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -5.051 6.319 -3.011 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -8.023 5.573 -3.033 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -7.120 6.125 -1.602 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -8.607 6.969 -2.096 1.00 0.00 H new ATOM 544 N GLU A 34 -4.287 9.309 -3.369 1.00 0.00 N ATOM 545 CA GLU A 34 -3.374 10.117 -4.231 1.00 0.00 C ATOM 546 C GLU A 34 -2.575 9.160 -5.113 1.00 0.00 C ATOM 547 O GLU A 34 -2.841 7.974 -5.138 1.00 0.00 O ATOM 548 CB GLU A 34 -2.433 10.948 -3.367 1.00 0.00 C ATOM 549 CG GLU A 34 -3.132 12.254 -2.978 1.00 0.00 C ATOM 550 CD GLU A 34 -2.813 13.332 -4.014 1.00 0.00 C ATOM 551 OE1 GLU A 34 -2.471 12.972 -5.129 1.00 0.00 O ATOM 552 OE2 GLU A 34 -2.916 14.500 -3.677 1.00 0.00 O ATOM 0 H GLU A 34 -3.822 8.625 -2.772 1.00 0.00 H new ATOM 0 HA GLU A 34 -3.954 10.799 -4.852 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -2.153 10.391 -2.473 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -1.513 11.162 -3.911 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -4.209 12.099 -2.919 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -2.802 12.575 -1.990 1.00 0.00 H new ATOM 559 N GLU A 35 -1.614 9.656 -5.844 1.00 0.00 N ATOM 560 CA GLU A 35 -0.829 8.759 -6.744 1.00 0.00 C ATOM 561 C GLU A 35 0.646 9.156 -6.754 1.00 0.00 C ATOM 562 O GLU A 35 1.008 10.289 -6.506 1.00 0.00 O ATOM 563 CB GLU A 35 -1.366 8.879 -8.176 1.00 0.00 C ATOM 564 CG GLU A 35 -2.686 8.118 -8.318 1.00 0.00 C ATOM 565 CD GLU A 35 -3.475 8.693 -9.496 1.00 0.00 C ATOM 566 OE1 GLU A 35 -2.852 9.249 -10.385 1.00 0.00 O ATOM 567 OE2 GLU A 35 -4.689 8.566 -9.490 1.00 0.00 O ATOM 0 H GLU A 35 -1.338 10.638 -5.858 1.00 0.00 H new ATOM 0 HA GLU A 35 -0.927 7.737 -6.377 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -1.516 9.929 -8.428 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -0.634 8.483 -8.880 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -2.492 7.057 -8.478 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -3.268 8.201 -7.400 1.00 0.00 H new ATOM 574 N ALA A 36 1.492 8.217 -7.068 1.00 0.00 N ATOM 575 CA ALA A 36 2.951 8.490 -7.140 1.00 0.00 C ATOM 576 C ALA A 36 3.551 7.548 -8.183 1.00 0.00 C ATOM 577 O ALA A 36 2.832 6.910 -8.928 1.00 0.00 O ATOM 578 CB ALA A 36 3.592 8.247 -5.774 1.00 0.00 C ATOM 0 H ALA A 36 1.228 7.255 -7.281 1.00 0.00 H new ATOM 0 HA ALA A 36 3.135 9.527 -7.421 1.00 0.00 H new ATOM 0 HB1 ALA A 36 4.662 8.449 -5.833 1.00 0.00 H new ATOM 0 HB2 ALA A 36 3.138 8.909 -5.036 1.00 0.00 H new ATOM 0 HB3 ALA A 36 3.434 7.210 -5.477 1.00 0.00 H new ATOM 584 N GLU A 37 4.846 7.450 -8.259 1.00 0.00 N ATOM 585 CA GLU A 37 5.445 6.539 -9.277 1.00 0.00 C ATOM 586 C GLU A 37 6.799 6.010 -8.800 1.00 0.00 C ATOM 587 O GLU A 37 7.542 5.433 -9.569 1.00 0.00 O ATOM 588 CB GLU A 37 5.635 7.304 -10.588 1.00 0.00 C ATOM 589 CG GLU A 37 6.904 8.153 -10.508 1.00 0.00 C ATOM 590 CD GLU A 37 6.815 9.304 -11.513 1.00 0.00 C ATOM 591 OE1 GLU A 37 7.149 9.086 -12.665 1.00 0.00 O ATOM 592 OE2 GLU A 37 6.412 10.384 -11.111 1.00 0.00 O ATOM 0 H GLU A 37 5.511 7.952 -7.671 1.00 0.00 H new ATOM 0 HA GLU A 37 4.774 5.694 -9.429 1.00 0.00 H new ATOM 0 HB2 GLU A 37 5.705 6.605 -11.422 1.00 0.00 H new ATOM 0 HB3 GLU A 37 4.771 7.941 -10.778 1.00 0.00 H new ATOM 0 HG2 GLU A 37 7.028 8.546 -9.499 1.00 0.00 H new ATOM 0 HG3 GLU A 37 7.779 7.538 -10.720 1.00 0.00 H new ATOM 599 N ASP A 38 7.128 6.183 -7.548 1.00 0.00 N ATOM 600 CA ASP A 38 8.440 5.674 -7.053 1.00 0.00 C ATOM 601 C ASP A 38 8.536 5.894 -5.548 1.00 0.00 C ATOM 602 O ASP A 38 7.922 6.789 -5.004 1.00 0.00 O ATOM 603 CB ASP A 38 9.587 6.432 -7.733 1.00 0.00 C ATOM 604 CG ASP A 38 10.851 5.570 -7.711 1.00 0.00 C ATOM 605 OD1 ASP A 38 10.942 4.708 -6.852 1.00 0.00 O ATOM 606 OD2 ASP A 38 11.707 5.790 -8.551 1.00 0.00 O ATOM 0 H ASP A 38 6.550 6.651 -6.851 1.00 0.00 H new ATOM 0 HA ASP A 38 8.514 4.611 -7.283 1.00 0.00 H new ATOM 0 HB2 ASP A 38 9.318 6.675 -8.761 1.00 0.00 H new ATOM 0 HB3 ASP A 38 9.769 7.376 -7.219 1.00 0.00 H new ATOM 611 N GLY A 39 9.315 5.100 -4.869 1.00 0.00 N ATOM 612 CA GLY A 39 9.452 5.296 -3.404 1.00 0.00 C ATOM 613 C GLY A 39 9.946 6.720 -3.157 1.00 0.00 C ATOM 614 O GLY A 39 9.662 7.324 -2.141 1.00 0.00 O ATOM 0 H GLY A 39 9.857 4.331 -5.263 1.00 0.00 H new ATOM 0 HA2 GLY A 39 8.495 5.134 -2.908 1.00 0.00 H new ATOM 0 HA3 GLY A 39 10.153 4.573 -2.988 1.00 0.00 H new ATOM 618 N VAL A 40 10.675 7.263 -4.096 1.00 0.00 N ATOM 619 CA VAL A 40 11.180 8.654 -3.941 1.00 0.00 C ATOM 620 C VAL A 40 10.025 9.626 -4.171 1.00 0.00 C ATOM 621 O VAL A 40 9.907 10.638 -3.509 1.00 0.00 O ATOM 622 CB VAL A 40 12.283 8.917 -4.968 1.00 0.00 C ATOM 623 CG1 VAL A 40 12.666 10.397 -4.941 1.00 0.00 C ATOM 624 CG2 VAL A 40 13.509 8.067 -4.629 1.00 0.00 C ATOM 0 H VAL A 40 10.942 6.800 -4.965 1.00 0.00 H new ATOM 0 HA VAL A 40 11.586 8.791 -2.939 1.00 0.00 H new ATOM 0 HB VAL A 40 11.922 8.654 -5.962 1.00 0.00 H new ATOM 0 HG11 VAL A 40 13.452 10.583 -5.673 1.00 0.00 H new ATOM 0 HG12 VAL A 40 11.793 11.003 -5.184 1.00 0.00 H new ATOM 0 HG13 VAL A 40 13.026 10.661 -3.947 1.00 0.00 H new ATOM 0 HG21 VAL A 40 14.295 8.254 -5.361 1.00 0.00 H new ATOM 0 HG22 VAL A 40 13.869 8.329 -3.634 1.00 0.00 H new ATOM 0 HG23 VAL A 40 13.237 7.012 -4.650 1.00 0.00 H new ATOM 634 N ASP A 41 9.159 9.314 -5.097 1.00 0.00 N ATOM 635 CA ASP A 41 8.001 10.202 -5.359 1.00 0.00 C ATOM 636 C ASP A 41 7.069 10.133 -4.156 1.00 0.00 C ATOM 637 O ASP A 41 6.514 11.121 -3.718 1.00 0.00 O ATOM 638 CB ASP A 41 7.268 9.704 -6.601 1.00 0.00 C ATOM 639 CG ASP A 41 6.455 10.846 -7.215 1.00 0.00 C ATOM 640 OD1 ASP A 41 7.047 11.864 -7.532 1.00 0.00 O ATOM 641 OD2 ASP A 41 5.255 10.682 -7.358 1.00 0.00 O ATOM 0 H ASP A 41 9.208 8.480 -5.682 1.00 0.00 H new ATOM 0 HA ASP A 41 8.330 11.229 -5.520 1.00 0.00 H new ATOM 0 HB2 ASP A 41 7.984 9.323 -7.329 1.00 0.00 H new ATOM 0 HB3 ASP A 41 6.609 8.876 -6.338 1.00 0.00 H new ATOM 646 N ALA A 42 6.908 8.959 -3.617 1.00 0.00 N ATOM 647 CA ALA A 42 6.027 8.790 -2.433 1.00 0.00 C ATOM 648 C ALA A 42 6.678 9.461 -1.223 1.00 0.00 C ATOM 649 O ALA A 42 6.040 10.178 -0.488 1.00 0.00 O ATOM 650 CB ALA A 42 5.845 7.300 -2.146 1.00 0.00 C ATOM 0 H ALA A 42 7.353 8.103 -3.949 1.00 0.00 H new ATOM 0 HA ALA A 42 5.056 9.246 -2.629 1.00 0.00 H new ATOM 0 HB1 ALA A 42 5.199 7.173 -1.277 1.00 0.00 H new ATOM 0 HB2 ALA A 42 5.390 6.816 -3.010 1.00 0.00 H new ATOM 0 HB3 ALA A 42 6.816 6.847 -1.945 1.00 0.00 H new ATOM 656 N LEU A 43 7.943 9.226 -1.009 1.00 0.00 N ATOM 657 CA LEU A 43 8.633 9.846 0.159 1.00 0.00 C ATOM 658 C LEU A 43 8.415 11.361 0.151 1.00 0.00 C ATOM 659 O LEU A 43 8.266 11.981 1.185 1.00 0.00 O ATOM 660 CB LEU A 43 10.132 9.549 0.079 1.00 0.00 C ATOM 661 CG LEU A 43 10.861 10.270 1.215 1.00 0.00 C ATOM 662 CD1 LEU A 43 11.863 9.316 1.866 1.00 0.00 C ATOM 663 CD2 LEU A 43 11.606 11.484 0.654 1.00 0.00 C ATOM 0 H LEU A 43 8.530 8.631 -1.593 1.00 0.00 H new ATOM 0 HA LEU A 43 8.223 9.430 1.079 1.00 0.00 H new ATOM 0 HB2 LEU A 43 10.304 8.475 0.147 1.00 0.00 H new ATOM 0 HB3 LEU A 43 10.526 9.874 -0.884 1.00 0.00 H new ATOM 0 HG LEU A 43 10.136 10.599 1.959 1.00 0.00 H new ATOM 0 HD11 LEU A 43 12.382 9.830 2.675 1.00 0.00 H new ATOM 0 HD12 LEU A 43 11.334 8.451 2.266 1.00 0.00 H new ATOM 0 HD13 LEU A 43 12.588 8.986 1.122 1.00 0.00 H new ATOM 0 HD21 LEU A 43 12.125 11.998 1.463 1.00 0.00 H new ATOM 0 HD22 LEU A 43 12.330 11.154 -0.091 1.00 0.00 H new ATOM 0 HD23 LEU A 43 10.893 12.166 0.190 1.00 0.00 H new ATOM 675 N ASN A 44 8.409 11.967 -1.004 1.00 0.00 N ATOM 676 CA ASN A 44 8.214 13.444 -1.070 1.00 0.00 C ATOM 677 C ASN A 44 6.742 13.791 -0.839 1.00 0.00 C ATOM 678 O ASN A 44 6.419 14.807 -0.256 1.00 0.00 O ATOM 679 CB ASN A 44 8.644 13.951 -2.448 1.00 0.00 C ATOM 680 CG ASN A 44 10.131 14.308 -2.420 1.00 0.00 C ATOM 681 OD1 ASN A 44 10.490 15.468 -2.455 1.00 0.00 O ATOM 682 ND2 ASN A 44 11.018 13.352 -2.361 1.00 0.00 N ATOM 0 H ASN A 44 8.531 11.504 -1.905 1.00 0.00 H new ATOM 0 HA ASN A 44 8.818 13.918 -0.296 1.00 0.00 H new ATOM 0 HB2 ASN A 44 8.457 13.187 -3.203 1.00 0.00 H new ATOM 0 HB3 ASN A 44 8.055 14.825 -2.726 1.00 0.00 H new ATOM 0 HD21 ASN A 44 12.012 13.579 -2.344 1.00 0.00 H new ATOM 0 HD22 ASN A 44 10.717 12.378 -2.332 1.00 0.00 H new ATOM 689 N LYS A 45 5.845 12.964 -1.297 1.00 0.00 N ATOM 690 CA LYS A 45 4.396 13.260 -1.111 1.00 0.00 C ATOM 691 C LYS A 45 3.898 12.655 0.205 1.00 0.00 C ATOM 692 O LYS A 45 2.825 12.974 0.671 1.00 0.00 O ATOM 693 CB LYS A 45 3.601 12.663 -2.273 1.00 0.00 C ATOM 694 CG LYS A 45 3.073 13.791 -3.163 1.00 0.00 C ATOM 695 CD LYS A 45 2.427 13.194 -4.415 1.00 0.00 C ATOM 696 CE LYS A 45 2.020 14.321 -5.366 1.00 0.00 C ATOM 697 NZ LYS A 45 0.693 14.008 -5.966 1.00 0.00 N ATOM 0 H LYS A 45 6.051 12.096 -1.792 1.00 0.00 H new ATOM 0 HA LYS A 45 4.256 14.341 -1.083 1.00 0.00 H new ATOM 0 HB2 LYS A 45 4.234 11.993 -2.854 1.00 0.00 H new ATOM 0 HB3 LYS A 45 2.771 12.067 -1.892 1.00 0.00 H new ATOM 0 HG2 LYS A 45 2.345 14.390 -2.616 1.00 0.00 H new ATOM 0 HG3 LYS A 45 3.888 14.458 -3.444 1.00 0.00 H new ATOM 0 HD2 LYS A 45 3.125 12.520 -4.911 1.00 0.00 H new ATOM 0 HD3 LYS A 45 1.554 12.603 -4.140 1.00 0.00 H new ATOM 0 HE2 LYS A 45 1.974 15.267 -4.827 1.00 0.00 H new ATOM 0 HE3 LYS A 45 2.768 14.437 -6.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 0.415 14.774 -6.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 0.753 13.114 -6.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -0.017 13.918 -5.211 1.00 0.00 H new ATOM 711 N LEU A 46 4.665 11.789 0.808 1.00 0.00 N ATOM 712 CA LEU A 46 4.225 11.170 2.093 1.00 0.00 C ATOM 713 C LEU A 46 4.045 12.271 3.141 1.00 0.00 C ATOM 714 O LEU A 46 3.442 12.066 4.175 1.00 0.00 O ATOM 715 CB LEU A 46 5.290 10.168 2.568 1.00 0.00 C ATOM 716 CG LEU A 46 4.703 8.748 2.685 1.00 0.00 C ATOM 717 CD1 LEU A 46 3.606 8.718 3.749 1.00 0.00 C ATOM 718 CD2 LEU A 46 4.107 8.298 1.347 1.00 0.00 C ATOM 0 H LEU A 46 5.577 11.483 0.468 1.00 0.00 H new ATOM 0 HA LEU A 46 3.280 10.646 1.949 1.00 0.00 H new ATOM 0 HB2 LEU A 46 6.126 10.163 1.869 1.00 0.00 H new ATOM 0 HB3 LEU A 46 5.684 10.483 3.534 1.00 0.00 H new ATOM 0 HG LEU A 46 5.510 8.072 2.966 1.00 0.00 H new ATOM 0 HD11 LEU A 46 3.198 7.710 3.823 1.00 0.00 H new ATOM 0 HD12 LEU A 46 4.025 9.012 4.712 1.00 0.00 H new ATOM 0 HD13 LEU A 46 2.812 9.411 3.472 1.00 0.00 H new ATOM 0 HD21 LEU A 46 3.698 7.293 1.451 1.00 0.00 H new ATOM 0 HD22 LEU A 46 3.313 8.985 1.053 1.00 0.00 H new ATOM 0 HD23 LEU A 46 4.886 8.296 0.584 1.00 0.00 H new ATOM 730 N GLN A 47 4.559 13.441 2.877 1.00 0.00 N ATOM 731 CA GLN A 47 4.415 14.559 3.852 1.00 0.00 C ATOM 732 C GLN A 47 3.186 15.392 3.484 1.00 0.00 C ATOM 733 O GLN A 47 2.821 16.321 4.177 1.00 0.00 O ATOM 734 CB GLN A 47 5.662 15.443 3.807 1.00 0.00 C ATOM 735 CG GLN A 47 6.656 14.976 4.870 1.00 0.00 C ATOM 736 CD GLN A 47 7.917 15.840 4.808 1.00 0.00 C ATOM 737 OE1 GLN A 47 8.131 16.686 5.652 1.00 0.00 O ATOM 738 NE2 GLN A 47 8.769 15.659 3.834 1.00 0.00 N ATOM 0 H GLN A 47 5.073 13.671 2.027 1.00 0.00 H new ATOM 0 HA GLN A 47 4.297 14.154 4.857 1.00 0.00 H new ATOM 0 HB2 GLN A 47 6.120 15.394 2.819 1.00 0.00 H new ATOM 0 HB3 GLN A 47 5.389 16.484 3.981 1.00 0.00 H new ATOM 0 HG2 GLN A 47 6.204 15.044 5.860 1.00 0.00 H new ATOM 0 HG3 GLN A 47 6.912 13.929 4.708 1.00 0.00 H new ATOM 0 HE21 GLN A 47 8.589 14.948 3.125 1.00 0.00 H new ATOM 0 HE22 GLN A 47 9.614 16.228 3.783 1.00 0.00 H new ATOM 747 N ALA A 48 2.551 15.064 2.392 1.00 0.00 N ATOM 748 CA ALA A 48 1.347 15.825 1.963 1.00 0.00 C ATOM 749 C ALA A 48 0.429 16.054 3.164 1.00 0.00 C ATOM 750 O ALA A 48 0.229 17.173 3.596 1.00 0.00 O ATOM 751 CB ALA A 48 0.598 15.031 0.891 1.00 0.00 C ATOM 0 H ALA A 48 2.818 14.296 1.776 1.00 0.00 H new ATOM 0 HA ALA A 48 1.654 16.788 1.555 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -0.285 15.588 0.576 1.00 0.00 H new ATOM 0 HB2 ALA A 48 1.252 14.871 0.033 1.00 0.00 H new ATOM 0 HB3 ALA A 48 0.293 14.067 1.299 1.00 0.00 H new ATOM 757 N GLY A 49 -0.129 15.003 3.707 1.00 0.00 N ATOM 758 CA GLY A 49 -1.034 15.156 4.883 1.00 0.00 C ATOM 759 C GLY A 49 -0.744 14.046 5.893 1.00 0.00 C ATOM 760 O GLY A 49 0.111 14.176 6.747 1.00 0.00 O ATOM 0 H GLY A 49 0.004 14.044 3.385 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -0.886 16.132 5.346 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -2.075 15.109 4.563 1.00 0.00 H new ATOM 764 N GLY A 50 -1.447 12.954 5.798 1.00 0.00 N ATOM 765 CA GLY A 50 -1.213 11.831 6.748 1.00 0.00 C ATOM 766 C GLY A 50 -1.824 10.556 6.174 1.00 0.00 C ATOM 767 O GLY A 50 -2.783 10.025 6.696 1.00 0.00 O ATOM 0 H GLY A 50 -2.175 12.789 5.103 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -0.144 11.695 6.913 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -1.659 12.059 7.716 1.00 0.00 H new ATOM 771 N TYR A 51 -1.276 10.067 5.099 1.00 0.00 N ATOM 772 CA TYR A 51 -1.819 8.831 4.484 1.00 0.00 C ATOM 773 C TYR A 51 -2.043 7.783 5.559 1.00 0.00 C ATOM 774 O TYR A 51 -1.129 7.090 5.962 1.00 0.00 O ATOM 775 CB TYR A 51 -0.824 8.291 3.468 1.00 0.00 C ATOM 776 CG TYR A 51 -0.829 9.175 2.254 1.00 0.00 C ATOM 777 CD1 TYR A 51 -1.960 9.225 1.434 1.00 0.00 C ATOM 778 CD2 TYR A 51 0.288 9.958 1.958 1.00 0.00 C ATOM 779 CE1 TYR A 51 -1.972 10.062 0.315 1.00 0.00 C ATOM 780 CE2 TYR A 51 0.279 10.790 0.838 1.00 0.00 C ATOM 781 CZ TYR A 51 -0.848 10.845 0.017 1.00 0.00 C ATOM 782 OH TYR A 51 -0.849 11.676 -1.082 1.00 0.00 O ATOM 0 H TYR A 51 -0.473 10.473 4.620 1.00 0.00 H new ATOM 0 HA TYR A 51 -2.764 9.061 3.991 1.00 0.00 H new ATOM 0 HB2 TYR A 51 0.175 8.256 3.903 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -1.087 7.270 3.190 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -2.823 8.618 1.665 1.00 0.00 H new ATOM 0 HD2 TYR A 51 1.159 9.920 2.596 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -2.845 10.106 -0.319 1.00 0.00 H new ATOM 0 HE2 TYR A 51 1.145 11.392 0.606 1.00 0.00 H new ATOM 0 HH TYR A 51 0.009 12.146 -1.138 1.00 0.00 H new ATOM 792 N GLY A 52 -3.246 7.644 6.024 1.00 0.00 N ATOM 793 CA GLY A 52 -3.500 6.623 7.062 1.00 0.00 C ATOM 794 C GLY A 52 -3.265 5.244 6.455 1.00 0.00 C ATOM 795 O GLY A 52 -3.442 4.228 7.093 1.00 0.00 O ATOM 0 H GLY A 52 -4.057 8.189 5.732 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -2.840 6.778 7.915 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -4.522 6.705 7.431 1.00 0.00 H new ATOM 799 N PHE A 53 -2.873 5.206 5.213 1.00 0.00 N ATOM 800 CA PHE A 53 -2.634 3.901 4.552 1.00 0.00 C ATOM 801 C PHE A 53 -1.822 4.125 3.274 1.00 0.00 C ATOM 802 O PHE A 53 -1.915 5.163 2.648 1.00 0.00 O ATOM 803 CB PHE A 53 -3.983 3.301 4.188 1.00 0.00 C ATOM 804 CG PHE A 53 -4.068 1.849 4.599 1.00 0.00 C ATOM 805 CD1 PHE A 53 -4.468 1.505 5.895 1.00 0.00 C ATOM 806 CD2 PHE A 53 -3.800 0.846 3.665 1.00 0.00 C ATOM 807 CE1 PHE A 53 -4.602 0.163 6.249 1.00 0.00 C ATOM 808 CE2 PHE A 53 -3.925 -0.494 4.020 1.00 0.00 C ATOM 809 CZ PHE A 53 -4.331 -0.841 5.312 1.00 0.00 C ATOM 0 H PHE A 53 -2.708 6.026 4.629 1.00 0.00 H new ATOM 0 HA PHE A 53 -2.086 3.233 5.216 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -4.778 3.866 4.675 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -4.143 3.387 3.113 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -4.673 2.278 6.621 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -3.495 1.111 2.664 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -4.915 -0.102 7.248 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -3.708 -1.266 3.297 1.00 0.00 H new ATOM 0 HZ PHE A 53 -4.435 -1.880 5.586 1.00 0.00 H new ATOM 819 N VAL A 54 -1.030 3.171 2.870 1.00 0.00 N ATOM 820 CA VAL A 54 -0.239 3.360 1.616 1.00 0.00 C ATOM 821 C VAL A 54 -0.136 2.037 0.859 1.00 0.00 C ATOM 822 O VAL A 54 0.411 1.065 1.344 1.00 0.00 O ATOM 823 CB VAL A 54 1.164 3.867 1.947 1.00 0.00 C ATOM 824 CG1 VAL A 54 1.930 4.149 0.651 1.00 0.00 C ATOM 825 CG2 VAL A 54 1.071 5.155 2.767 1.00 0.00 C ATOM 0 H VAL A 54 -0.895 2.278 3.345 1.00 0.00 H new ATOM 0 HA VAL A 54 -0.747 4.096 0.992 1.00 0.00 H new ATOM 0 HB VAL A 54 1.689 3.106 2.524 1.00 0.00 H new ATOM 0 HG11 VAL A 54 2.930 4.510 0.891 1.00 0.00 H new ATOM 0 HG12 VAL A 54 2.006 3.232 0.066 1.00 0.00 H new ATOM 0 HG13 VAL A 54 1.400 4.905 0.072 1.00 0.00 H new ATOM 0 HG21 VAL A 54 2.074 5.511 3.000 1.00 0.00 H new ATOM 0 HG22 VAL A 54 0.540 5.914 2.193 1.00 0.00 H new ATOM 0 HG23 VAL A 54 0.532 4.958 3.694 1.00 0.00 H new ATOM 835 N ILE A 55 -0.652 2.008 -0.339 1.00 0.00 N ATOM 836 CA ILE A 55 -0.586 0.771 -1.164 1.00 0.00 C ATOM 837 C ILE A 55 0.574 0.922 -2.156 1.00 0.00 C ATOM 838 O ILE A 55 0.443 1.561 -3.186 1.00 0.00 O ATOM 839 CB ILE A 55 -1.901 0.607 -1.930 1.00 0.00 C ATOM 840 CG1 ILE A 55 -3.073 0.668 -0.946 1.00 0.00 C ATOM 841 CG2 ILE A 55 -1.911 -0.742 -2.647 1.00 0.00 C ATOM 842 CD1 ILE A 55 -4.393 0.613 -1.718 1.00 0.00 C ATOM 0 H ILE A 55 -1.121 2.797 -0.785 1.00 0.00 H new ATOM 0 HA ILE A 55 -0.429 -0.104 -0.533 1.00 0.00 H new ATOM 0 HB ILE A 55 -1.996 1.408 -2.663 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -3.015 -0.164 -0.244 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -3.021 1.585 -0.359 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -2.848 -0.857 -3.192 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -1.076 -0.789 -3.346 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -1.816 -1.544 -1.915 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -5.227 0.656 -1.017 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -4.450 1.460 -2.402 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -4.444 -0.316 -2.285 1.00 0.00 H new ATOM 854 N SER A 56 1.711 0.359 -1.844 1.00 0.00 N ATOM 855 CA SER A 56 2.888 0.482 -2.754 1.00 0.00 C ATOM 856 C SER A 56 3.070 -0.814 -3.544 1.00 0.00 C ATOM 857 O SER A 56 2.765 -1.890 -3.070 1.00 0.00 O ATOM 858 CB SER A 56 4.143 0.744 -1.922 1.00 0.00 C ATOM 859 OG SER A 56 4.258 -0.256 -0.917 1.00 0.00 O ATOM 0 H SER A 56 1.876 -0.183 -0.996 1.00 0.00 H new ATOM 0 HA SER A 56 2.723 1.307 -3.447 1.00 0.00 H new ATOM 0 HB2 SER A 56 5.026 0.736 -2.562 1.00 0.00 H new ATOM 0 HB3 SER A 56 4.090 1.732 -1.464 1.00 0.00 H new ATOM 0 HG SER A 56 4.775 -1.012 -1.266 1.00 0.00 H new ATOM 865 N ASP A 57 3.571 -0.720 -4.745 1.00 0.00 N ATOM 866 CA ASP A 57 3.779 -1.947 -5.561 1.00 0.00 C ATOM 867 C ASP A 57 5.069 -2.635 -5.109 1.00 0.00 C ATOM 868 O ASP A 57 5.139 -3.188 -4.029 1.00 0.00 O ATOM 869 CB ASP A 57 3.888 -1.573 -7.041 1.00 0.00 C ATOM 870 CG ASP A 57 2.522 -1.107 -7.550 1.00 0.00 C ATOM 871 OD1 ASP A 57 1.842 -0.413 -6.813 1.00 0.00 O ATOM 872 OD2 ASP A 57 2.180 -1.451 -8.670 1.00 0.00 O ATOM 0 H ASP A 57 3.845 0.153 -5.195 1.00 0.00 H new ATOM 0 HA ASP A 57 2.934 -2.623 -5.426 1.00 0.00 H new ATOM 0 HB2 ASP A 57 4.627 -0.783 -7.174 1.00 0.00 H new ATOM 0 HB3 ASP A 57 4.231 -2.431 -7.620 1.00 0.00 H new ATOM 877 N TRP A 58 6.089 -2.605 -5.923 1.00 0.00 N ATOM 878 CA TRP A 58 7.373 -3.258 -5.537 1.00 0.00 C ATOM 879 C TRP A 58 8.452 -2.913 -6.564 1.00 0.00 C ATOM 880 O TRP A 58 9.583 -2.635 -6.220 1.00 0.00 O ATOM 881 CB TRP A 58 7.174 -4.776 -5.499 1.00 0.00 C ATOM 882 CG TRP A 58 8.400 -5.435 -4.956 1.00 0.00 C ATOM 883 CD1 TRP A 58 9.200 -6.277 -5.651 1.00 0.00 C ATOM 884 CD2 TRP A 58 8.977 -5.329 -3.623 1.00 0.00 C ATOM 885 NE1 TRP A 58 10.230 -6.694 -4.829 1.00 0.00 N ATOM 886 CE2 TRP A 58 10.136 -6.137 -3.569 1.00 0.00 C ATOM 887 CE3 TRP A 58 8.609 -4.616 -2.468 1.00 0.00 C ATOM 888 CZ2 TRP A 58 10.905 -6.236 -2.411 1.00 0.00 C ATOM 889 CZ3 TRP A 58 9.381 -4.712 -1.299 1.00 0.00 C ATOM 890 CH2 TRP A 58 10.526 -5.521 -1.270 1.00 0.00 C ATOM 0 H TRP A 58 6.089 -2.156 -6.839 1.00 0.00 H new ATOM 0 HA TRP A 58 7.683 -2.902 -4.554 1.00 0.00 H new ATOM 0 HB2 TRP A 58 6.312 -5.023 -4.879 1.00 0.00 H new ATOM 0 HB3 TRP A 58 6.963 -5.149 -6.501 1.00 0.00 H new ATOM 0 HD1 TRP A 58 9.057 -6.574 -6.679 1.00 0.00 H new ATOM 0 HE1 TRP A 58 10.969 -7.335 -5.118 1.00 0.00 H new ATOM 0 HE3 TRP A 58 7.728 -3.991 -2.480 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 11.787 -6.860 -2.395 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 9.091 -4.160 -0.417 1.00 0.00 H new ATOM 0 HH2 TRP A 58 11.115 -5.592 -0.367 1.00 0.00 H new ATOM 901 N ASN A 59 8.110 -2.935 -7.825 1.00 0.00 N ATOM 902 CA ASN A 59 9.113 -2.615 -8.881 1.00 0.00 C ATOM 903 C ASN A 59 8.972 -1.150 -9.301 1.00 0.00 C ATOM 904 O ASN A 59 8.128 -0.807 -10.106 1.00 0.00 O ATOM 905 CB ASN A 59 8.878 -3.515 -10.094 1.00 0.00 C ATOM 906 CG ASN A 59 9.438 -2.842 -11.347 1.00 0.00 C ATOM 907 OD1 ASN A 59 8.737 -2.119 -12.028 1.00 0.00 O ATOM 908 ND2 ASN A 59 10.683 -3.048 -11.683 1.00 0.00 N ATOM 0 H ASN A 59 7.177 -3.161 -8.169 1.00 0.00 H new ATOM 0 HA ASN A 59 10.116 -2.783 -8.488 1.00 0.00 H new ATOM 0 HB2 ASN A 59 9.359 -4.481 -9.942 1.00 0.00 H new ATOM 0 HB3 ASN A 59 7.812 -3.706 -10.217 1.00 0.00 H new ATOM 0 HD21 ASN A 59 11.067 -2.602 -12.516 1.00 0.00 H new ATOM 0 HD22 ASN A 59 11.272 -3.654 -11.112 1.00 0.00 H new ATOM 915 N MET A 60 9.798 -0.290 -8.763 1.00 0.00 N ATOM 916 CA MET A 60 9.734 1.159 -9.122 1.00 0.00 C ATOM 917 C MET A 60 11.145 1.641 -9.489 1.00 0.00 C ATOM 918 O MET A 60 12.114 0.993 -9.145 1.00 0.00 O ATOM 919 CB MET A 60 9.219 1.973 -7.925 1.00 0.00 C ATOM 920 CG MET A 60 9.111 1.087 -6.680 1.00 0.00 C ATOM 921 SD MET A 60 7.717 -0.053 -6.863 1.00 0.00 S ATOM 922 CE MET A 60 6.729 0.575 -5.482 1.00 0.00 C ATOM 0 H MET A 60 10.520 -0.532 -8.085 1.00 0.00 H new ATOM 0 HA MET A 60 9.057 1.295 -9.965 1.00 0.00 H new ATOM 0 HB2 MET A 60 9.893 2.807 -7.728 1.00 0.00 H new ATOM 0 HB3 MET A 60 8.244 2.400 -8.160 1.00 0.00 H new ATOM 0 HG2 MET A 60 10.035 0.527 -6.539 1.00 0.00 H new ATOM 0 HG3 MET A 60 8.974 1.705 -5.793 1.00 0.00 H new ATOM 0 HE1 MET A 60 6.596 -0.214 -4.741 1.00 0.00 H new ATOM 0 HE2 MET A 60 7.241 1.421 -5.024 1.00 0.00 H new ATOM 0 HE3 MET A 60 5.754 0.896 -5.849 1.00 0.00 H new ATOM 932 N PRO A 61 11.238 2.768 -10.166 1.00 0.00 N ATOM 933 CA PRO A 61 12.547 3.324 -10.555 1.00 0.00 C ATOM 934 C PRO A 61 13.425 3.520 -9.317 1.00 0.00 C ATOM 935 O PRO A 61 12.937 3.777 -8.234 1.00 0.00 O ATOM 936 CB PRO A 61 12.223 4.670 -11.217 1.00 0.00 C ATOM 937 CG PRO A 61 10.685 4.849 -11.193 1.00 0.00 C ATOM 938 CD PRO A 61 10.075 3.574 -10.592 1.00 0.00 C ATOM 0 HA PRO A 61 13.097 2.666 -11.227 1.00 0.00 H new ATOM 0 HB2 PRO A 61 12.711 5.486 -10.684 1.00 0.00 H new ATOM 0 HB3 PRO A 61 12.595 4.691 -12.242 1.00 0.00 H new ATOM 0 HG2 PRO A 61 10.411 5.721 -10.599 1.00 0.00 H new ATOM 0 HG3 PRO A 61 10.304 5.017 -12.200 1.00 0.00 H new ATOM 0 HD2 PRO A 61 9.423 3.806 -9.749 1.00 0.00 H new ATOM 0 HD3 PRO A 61 9.470 3.040 -11.325 1.00 0.00 H new ATOM 946 N ASN A 62 14.715 3.396 -9.465 1.00 0.00 N ATOM 947 CA ASN A 62 15.620 3.570 -8.293 1.00 0.00 C ATOM 948 C ASN A 62 15.366 2.443 -7.290 1.00 0.00 C ATOM 949 O ASN A 62 14.826 1.409 -7.629 1.00 0.00 O ATOM 950 CB ASN A 62 15.346 4.920 -7.627 1.00 0.00 C ATOM 951 CG ASN A 62 14.863 5.922 -8.677 1.00 0.00 C ATOM 952 OD1 ASN A 62 13.921 6.772 -8.367 1.00 0.00 O flip ATOM 953 ND2 ASN A 62 15.346 5.933 -9.791 1.00 0.00 N flip ATOM 0 H ASN A 62 15.182 3.182 -10.346 1.00 0.00 H new ATOM 0 HA ASN A 62 16.658 3.538 -8.625 1.00 0.00 H new ATOM 0 HB2 ASN A 62 14.594 4.806 -6.846 1.00 0.00 H new ATOM 0 HB3 ASN A 62 16.251 5.290 -7.146 1.00 0.00 H new ATOM 0 HD21 ASN A 62 16.082 5.270 -10.034 1.00 0.00 H new ATOM 0 HD22 ASN A 62 15.016 6.605 -10.483 1.00 0.00 H new ATOM 960 N MET A 63 15.748 2.633 -6.057 1.00 0.00 N ATOM 961 CA MET A 63 15.524 1.571 -5.038 1.00 0.00 C ATOM 962 C MET A 63 14.080 1.072 -5.132 1.00 0.00 C ATOM 963 O MET A 63 13.205 1.766 -5.612 1.00 0.00 O ATOM 964 CB MET A 63 15.779 2.141 -3.642 1.00 0.00 C ATOM 965 CG MET A 63 17.236 2.595 -3.532 1.00 0.00 C ATOM 966 SD MET A 63 18.073 1.629 -2.250 1.00 0.00 S ATOM 967 CE MET A 63 19.162 2.945 -1.652 1.00 0.00 C ATOM 0 H MET A 63 16.205 3.477 -5.712 1.00 0.00 H new ATOM 0 HA MET A 63 16.207 0.742 -5.220 1.00 0.00 H new ATOM 0 HB2 MET A 63 15.110 2.981 -3.453 1.00 0.00 H new ATOM 0 HB3 MET A 63 15.564 1.387 -2.885 1.00 0.00 H new ATOM 0 HG2 MET A 63 17.742 2.465 -4.489 1.00 0.00 H new ATOM 0 HG3 MET A 63 17.280 3.657 -3.290 1.00 0.00 H new ATOM 0 HE1 MET A 63 19.782 2.564 -0.841 1.00 0.00 H new ATOM 0 HE2 MET A 63 19.800 3.288 -2.467 1.00 0.00 H new ATOM 0 HE3 MET A 63 18.560 3.778 -1.288 1.00 0.00 H new ATOM 977 N ASP A 64 13.822 -0.124 -4.678 1.00 0.00 N ATOM 978 CA ASP A 64 12.433 -0.662 -4.744 1.00 0.00 C ATOM 979 C ASP A 64 11.604 -0.062 -3.607 1.00 0.00 C ATOM 980 O ASP A 64 12.121 0.623 -2.747 1.00 0.00 O ATOM 981 CB ASP A 64 12.465 -2.186 -4.602 1.00 0.00 C ATOM 982 CG ASP A 64 13.889 -2.639 -4.274 1.00 0.00 C ATOM 983 OD1 ASP A 64 14.697 -2.694 -5.185 1.00 0.00 O ATOM 984 OD2 ASP A 64 14.147 -2.926 -3.116 1.00 0.00 O ATOM 0 H ASP A 64 14.512 -0.751 -4.265 1.00 0.00 H new ATOM 0 HA ASP A 64 11.986 -0.398 -5.702 1.00 0.00 H new ATOM 0 HB2 ASP A 64 11.781 -2.503 -3.815 1.00 0.00 H new ATOM 0 HB3 ASP A 64 12.127 -2.655 -5.526 1.00 0.00 H new ATOM 989 N GLY A 65 10.323 -0.313 -3.590 1.00 0.00 N ATOM 990 CA GLY A 65 9.478 0.248 -2.499 1.00 0.00 C ATOM 991 C GLY A 65 9.974 -0.289 -1.157 1.00 0.00 C ATOM 992 O GLY A 65 9.474 0.068 -0.106 1.00 0.00 O ATOM 0 H GLY A 65 9.828 -0.878 -4.280 1.00 0.00 H new ATOM 0 HA2 GLY A 65 9.525 1.337 -2.509 1.00 0.00 H new ATOM 0 HA3 GLY A 65 8.435 -0.027 -2.652 1.00 0.00 H new ATOM 996 N LEU A 66 10.955 -1.149 -1.181 1.00 0.00 N ATOM 997 CA LEU A 66 11.481 -1.705 0.095 1.00 0.00 C ATOM 998 C LEU A 66 11.976 -0.552 0.968 1.00 0.00 C ATOM 999 O LEU A 66 11.594 -0.417 2.113 1.00 0.00 O ATOM 1000 CB LEU A 66 12.639 -2.668 -0.202 1.00 0.00 C ATOM 1001 CG LEU A 66 13.336 -3.080 1.103 1.00 0.00 C ATOM 1002 CD1 LEU A 66 12.299 -3.562 2.116 1.00 0.00 C ATOM 1003 CD2 LEU A 66 14.315 -4.219 0.814 1.00 0.00 C ATOM 0 H LEU A 66 11.413 -1.489 -2.027 1.00 0.00 H new ATOM 0 HA LEU A 66 10.694 -2.249 0.617 1.00 0.00 H new ATOM 0 HB2 LEU A 66 12.263 -3.552 -0.717 1.00 0.00 H new ATOM 0 HB3 LEU A 66 13.356 -2.191 -0.870 1.00 0.00 H new ATOM 0 HG LEU A 66 13.870 -2.221 1.510 1.00 0.00 H new ATOM 0 HD11 LEU A 66 12.800 -3.853 3.039 1.00 0.00 H new ATOM 0 HD12 LEU A 66 11.593 -2.758 2.324 1.00 0.00 H new ATOM 0 HD13 LEU A 66 11.763 -4.419 1.708 1.00 0.00 H new ATOM 0 HD21 LEU A 66 14.812 -4.515 1.738 1.00 0.00 H new ATOM 0 HD22 LEU A 66 13.772 -5.071 0.406 1.00 0.00 H new ATOM 0 HD23 LEU A 66 15.060 -3.884 0.092 1.00 0.00 H new ATOM 1015 N GLU A 67 12.820 0.285 0.430 1.00 0.00 N ATOM 1016 CA GLU A 67 13.334 1.434 1.224 1.00 0.00 C ATOM 1017 C GLU A 67 12.160 2.332 1.615 1.00 0.00 C ATOM 1018 O GLU A 67 12.316 3.299 2.333 1.00 0.00 O ATOM 1019 CB GLU A 67 14.331 2.231 0.381 1.00 0.00 C ATOM 1020 CG GLU A 67 15.344 2.917 1.300 1.00 0.00 C ATOM 1021 CD GLU A 67 16.298 1.871 1.880 1.00 0.00 C ATOM 1022 OE1 GLU A 67 16.201 0.722 1.479 1.00 0.00 O ATOM 1023 OE2 GLU A 67 17.108 2.235 2.716 1.00 0.00 O ATOM 0 H GLU A 67 13.175 0.222 -0.524 1.00 0.00 H new ATOM 0 HA GLU A 67 13.834 1.070 2.122 1.00 0.00 H new ATOM 0 HB2 GLU A 67 14.846 1.569 -0.315 1.00 0.00 H new ATOM 0 HB3 GLU A 67 13.805 2.975 -0.217 1.00 0.00 H new ATOM 0 HG2 GLU A 67 15.905 3.668 0.744 1.00 0.00 H new ATOM 0 HG3 GLU A 67 14.826 3.438 2.105 1.00 0.00 H new ATOM 1030 N LEU A 68 10.984 2.017 1.147 1.00 0.00 N ATOM 1031 CA LEU A 68 9.798 2.849 1.489 1.00 0.00 C ATOM 1032 C LEU A 68 9.220 2.378 2.823 1.00 0.00 C ATOM 1033 O LEU A 68 9.223 3.099 3.800 1.00 0.00 O ATOM 1034 CB LEU A 68 8.737 2.698 0.395 1.00 0.00 C ATOM 1035 CG LEU A 68 7.847 3.945 0.337 1.00 0.00 C ATOM 1036 CD1 LEU A 68 8.647 5.160 -0.151 1.00 0.00 C ATOM 1037 CD2 LEU A 68 6.689 3.684 -0.630 1.00 0.00 C ATOM 0 H LEU A 68 10.794 1.218 0.542 1.00 0.00 H new ATOM 0 HA LEU A 68 10.095 3.895 1.566 1.00 0.00 H new ATOM 0 HB2 LEU A 68 9.220 2.543 -0.570 1.00 0.00 H new ATOM 0 HB3 LEU A 68 8.126 1.817 0.591 1.00 0.00 H new ATOM 0 HG LEU A 68 7.468 4.156 1.337 1.00 0.00 H new ATOM 0 HD11 LEU A 68 7.997 6.034 -0.185 1.00 0.00 H new ATOM 0 HD12 LEU A 68 9.474 5.349 0.533 1.00 0.00 H new ATOM 0 HD13 LEU A 68 9.039 4.961 -1.148 1.00 0.00 H new ATOM 0 HD21 LEU A 68 6.050 4.565 -0.678 1.00 0.00 H new ATOM 0 HD22 LEU A 68 7.085 3.468 -1.622 1.00 0.00 H new ATOM 0 HD23 LEU A 68 6.107 2.832 -0.279 1.00 0.00 H new ATOM 1049 N LEU A 69 8.728 1.171 2.872 1.00 0.00 N ATOM 1050 CA LEU A 69 8.155 0.661 4.148 1.00 0.00 C ATOM 1051 C LEU A 69 9.270 0.590 5.193 1.00 0.00 C ATOM 1052 O LEU A 69 9.051 0.800 6.370 1.00 0.00 O ATOM 1053 CB LEU A 69 7.501 -0.710 3.892 1.00 0.00 C ATOM 1054 CG LEU A 69 8.209 -1.857 4.652 1.00 0.00 C ATOM 1055 CD1 LEU A 69 7.913 -1.783 6.163 1.00 0.00 C ATOM 1056 CD2 LEU A 69 7.695 -3.202 4.114 1.00 0.00 C ATOM 0 H LEU A 69 8.698 0.519 2.088 1.00 0.00 H new ATOM 0 HA LEU A 69 7.382 1.327 4.530 1.00 0.00 H new ATOM 0 HB2 LEU A 69 6.454 -0.671 4.193 1.00 0.00 H new ATOM 0 HB3 LEU A 69 7.517 -0.923 2.823 1.00 0.00 H new ATOM 0 HG LEU A 69 9.284 -1.763 4.500 1.00 0.00 H new ATOM 0 HD11 LEU A 69 8.422 -2.600 6.674 1.00 0.00 H new ATOM 0 HD12 LEU A 69 8.268 -0.831 6.557 1.00 0.00 H new ATOM 0 HD13 LEU A 69 6.839 -1.866 6.328 1.00 0.00 H new ATOM 0 HD21 LEU A 69 8.188 -4.018 4.643 1.00 0.00 H new ATOM 0 HD22 LEU A 69 6.618 -3.268 4.268 1.00 0.00 H new ATOM 0 HD23 LEU A 69 7.914 -3.276 3.049 1.00 0.00 H new ATOM 1068 N LYS A 70 10.474 0.319 4.761 1.00 0.00 N ATOM 1069 CA LYS A 70 11.614 0.257 5.714 1.00 0.00 C ATOM 1070 C LYS A 70 11.874 1.659 6.265 1.00 0.00 C ATOM 1071 O LYS A 70 11.782 1.899 7.452 1.00 0.00 O ATOM 1072 CB LYS A 70 12.863 -0.246 4.984 1.00 0.00 C ATOM 1073 CG LYS A 70 13.873 -0.781 6.002 1.00 0.00 C ATOM 1074 CD LYS A 70 15.103 -1.318 5.265 1.00 0.00 C ATOM 1075 CE LYS A 70 16.369 -0.930 6.032 1.00 0.00 C ATOM 1076 NZ LYS A 70 17.564 -1.461 5.317 1.00 0.00 N ATOM 0 H LYS A 70 10.714 0.138 3.786 1.00 0.00 H new ATOM 0 HA LYS A 70 11.377 -0.424 6.532 1.00 0.00 H new ATOM 0 HB2 LYS A 70 12.592 -1.031 4.278 1.00 0.00 H new ATOM 0 HB3 LYS A 70 13.309 0.563 4.405 1.00 0.00 H new ATOM 0 HG2 LYS A 70 14.166 0.011 6.691 1.00 0.00 H new ATOM 0 HG3 LYS A 70 13.419 -1.572 6.599 1.00 0.00 H new ATOM 0 HD2 LYS A 70 15.040 -2.402 5.172 1.00 0.00 H new ATOM 0 HD3 LYS A 70 15.139 -0.913 4.254 1.00 0.00 H new ATOM 0 HE2 LYS A 70 16.436 0.154 6.120 1.00 0.00 H new ATOM 0 HE3 LYS A 70 16.330 -1.330 7.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 18.425 -1.198 5.837 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 17.500 -2.497 5.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 17.602 -1.059 4.359 1.00 0.00 H new ATOM 1090 N THR A 71 12.190 2.594 5.409 1.00 0.00 N ATOM 1091 CA THR A 71 12.441 3.981 5.889 1.00 0.00 C ATOM 1092 C THR A 71 11.264 4.422 6.759 1.00 0.00 C ATOM 1093 O THR A 71 11.434 5.051 7.784 1.00 0.00 O ATOM 1094 CB THR A 71 12.578 4.920 4.689 1.00 0.00 C ATOM 1095 OG1 THR A 71 13.654 4.482 3.871 1.00 0.00 O ATOM 1096 CG2 THR A 71 12.856 6.343 5.177 1.00 0.00 C ATOM 0 H THR A 71 12.285 2.457 4.403 1.00 0.00 H new ATOM 0 HA THR A 71 13.362 4.013 6.472 1.00 0.00 H new ATOM 0 HB THR A 71 11.652 4.911 4.114 1.00 0.00 H new ATOM 0 HG1 THR A 71 13.303 4.154 3.017 1.00 0.00 H new ATOM 0 HG21 THR A 71 12.953 7.009 4.320 1.00 0.00 H new ATOM 0 HG22 THR A 71 12.032 6.679 5.806 1.00 0.00 H new ATOM 0 HG23 THR A 71 13.781 6.356 5.753 1.00 0.00 H new ATOM 1104 N ILE A 72 10.067 4.083 6.362 1.00 0.00 N ATOM 1105 CA ILE A 72 8.877 4.465 7.169 1.00 0.00 C ATOM 1106 C ILE A 72 9.000 3.828 8.554 1.00 0.00 C ATOM 1107 O ILE A 72 8.513 4.350 9.539 1.00 0.00 O ATOM 1108 CB ILE A 72 7.618 3.948 6.471 1.00 0.00 C ATOM 1109 CG1 ILE A 72 7.221 4.926 5.353 1.00 0.00 C ATOM 1110 CG2 ILE A 72 6.478 3.826 7.484 1.00 0.00 C ATOM 1111 CD1 ILE A 72 6.131 4.314 4.456 1.00 0.00 C ATOM 0 H ILE A 72 9.864 3.557 5.512 1.00 0.00 H new ATOM 0 HA ILE A 72 8.816 5.549 7.269 1.00 0.00 H new ATOM 0 HB ILE A 72 7.816 2.966 6.041 1.00 0.00 H new ATOM 0 HG12 ILE A 72 6.859 5.857 5.789 1.00 0.00 H new ATOM 0 HG13 ILE A 72 8.096 5.174 4.752 1.00 0.00 H new ATOM 0 HG21 ILE A 72 5.583 3.457 6.982 1.00 0.00 H new ATOM 0 HG22 ILE A 72 6.765 3.130 8.272 1.00 0.00 H new ATOM 0 HG23 ILE A 72 6.273 4.804 7.920 1.00 0.00 H new ATOM 0 HD11 ILE A 72 5.865 5.023 3.672 1.00 0.00 H new ATOM 0 HD12 ILE A 72 6.505 3.396 4.004 1.00 0.00 H new ATOM 0 HD13 ILE A 72 5.249 4.089 5.056 1.00 0.00 H new ATOM 1123 N ARG A 73 9.656 2.703 8.634 1.00 0.00 N ATOM 1124 CA ARG A 73 9.826 2.019 9.947 1.00 0.00 C ATOM 1125 C ARG A 73 11.019 2.631 10.690 1.00 0.00 C ATOM 1126 O ARG A 73 11.117 2.553 11.899 1.00 0.00 O ATOM 1127 CB ARG A 73 10.077 0.526 9.704 1.00 0.00 C ATOM 1128 CG ARG A 73 10.402 -0.172 11.027 1.00 0.00 C ATOM 1129 CD ARG A 73 11.909 -0.432 11.109 1.00 0.00 C ATOM 1130 NE ARG A 73 12.282 -0.769 12.511 1.00 0.00 N ATOM 1131 CZ ARG A 73 13.516 -1.085 12.801 1.00 0.00 C ATOM 1132 NH1 ARG A 73 14.430 -1.071 11.870 1.00 0.00 N ATOM 1133 NH2 ARG A 73 13.836 -1.415 14.022 1.00 0.00 N ATOM 0 H ARG A 73 10.084 2.225 7.841 1.00 0.00 H new ATOM 0 HA ARG A 73 8.927 2.144 10.550 1.00 0.00 H new ATOM 0 HB2 ARG A 73 9.197 0.070 9.249 1.00 0.00 H new ATOM 0 HB3 ARG A 73 10.902 0.397 9.003 1.00 0.00 H new ATOM 0 HG2 ARG A 73 10.083 0.447 11.865 1.00 0.00 H new ATOM 0 HG3 ARG A 73 9.855 -1.112 11.099 1.00 0.00 H new ATOM 0 HD2 ARG A 73 12.184 -1.249 10.442 1.00 0.00 H new ATOM 0 HD3 ARG A 73 12.459 0.449 10.777 1.00 0.00 H new ATOM 0 HE ARG A 73 11.574 -0.753 13.245 1.00 0.00 H new ATOM 0 HH11 ARG A 73 14.181 -0.813 10.915 1.00 0.00 H new ATOM 0 HH12 ARG A 73 15.393 -1.318 12.097 1.00 0.00 H new ATOM 0 HH21 ARG A 73 13.123 -1.426 14.751 1.00 0.00 H new ATOM 0 HH22 ARG A 73 14.800 -1.662 14.248 1.00 0.00 H new ATOM 1147 N ALA A 74 11.928 3.241 9.975 1.00 0.00 N ATOM 1148 CA ALA A 74 13.115 3.859 10.636 1.00 0.00 C ATOM 1149 C ALA A 74 12.664 4.655 11.863 1.00 0.00 C ATOM 1150 O ALA A 74 13.408 4.835 12.807 1.00 0.00 O ATOM 1151 CB ALA A 74 13.812 4.798 9.652 1.00 0.00 C ATOM 0 H ALA A 74 11.899 3.338 8.960 1.00 0.00 H new ATOM 0 HA ALA A 74 13.805 3.075 10.946 1.00 0.00 H new ATOM 0 HB1 ALA A 74 14.679 5.250 10.133 1.00 0.00 H new ATOM 0 HB2 ALA A 74 14.135 4.234 8.777 1.00 0.00 H new ATOM 0 HB3 ALA A 74 13.119 5.581 9.343 1.00 0.00 H new ATOM 1157 N ASP A 75 11.451 5.130 11.858 1.00 0.00 N ATOM 1158 CA ASP A 75 10.955 5.912 13.025 1.00 0.00 C ATOM 1159 C ASP A 75 10.683 4.962 14.193 1.00 0.00 C ATOM 1160 O ASP A 75 11.175 5.152 15.289 1.00 0.00 O ATOM 1161 CB ASP A 75 9.661 6.636 12.645 1.00 0.00 C ATOM 1162 CG ASP A 75 9.287 7.625 13.751 1.00 0.00 C ATOM 1163 OD1 ASP A 75 10.148 7.930 14.561 1.00 0.00 O ATOM 1164 OD2 ASP A 75 8.148 8.060 13.770 1.00 0.00 O ATOM 0 H ASP A 75 10.782 5.011 11.098 1.00 0.00 H new ATOM 0 HA ASP A 75 11.707 6.645 13.317 1.00 0.00 H new ATOM 0 HB2 ASP A 75 9.791 7.163 11.700 1.00 0.00 H new ATOM 0 HB3 ASP A 75 8.857 5.915 12.500 1.00 0.00 H new ATOM 1169 N GLY A 76 9.907 3.937 13.968 1.00 0.00 N ATOM 1170 CA GLY A 76 9.605 2.973 15.064 1.00 0.00 C ATOM 1171 C GLY A 76 8.530 3.556 15.982 1.00 0.00 C ATOM 1172 O GLY A 76 7.856 2.840 16.696 1.00 0.00 O ATOM 0 H GLY A 76 9.469 3.725 13.072 1.00 0.00 H new ATOM 0 HA2 GLY A 76 9.264 2.026 14.645 1.00 0.00 H new ATOM 0 HA3 GLY A 76 10.509 2.762 15.635 1.00 0.00 H new ATOM 1176 N ALA A 77 8.364 4.850 15.972 1.00 0.00 N ATOM 1177 CA ALA A 77 7.333 5.473 16.849 1.00 0.00 C ATOM 1178 C ALA A 77 5.987 5.498 16.121 1.00 0.00 C ATOM 1179 O ALA A 77 5.180 4.600 16.262 1.00 0.00 O ATOM 1180 CB ALA A 77 7.754 6.903 17.194 1.00 0.00 C ATOM 0 H ALA A 77 8.897 5.502 15.396 1.00 0.00 H new ATOM 0 HA ALA A 77 7.237 4.891 17.766 1.00 0.00 H new ATOM 0 HB1 ALA A 77 7.000 7.359 17.836 1.00 0.00 H new ATOM 0 HB2 ALA A 77 8.711 6.885 17.715 1.00 0.00 H new ATOM 0 HB3 ALA A 77 7.851 7.485 16.277 1.00 0.00 H new ATOM 1186 N MET A 78 5.739 6.520 15.348 1.00 0.00 N ATOM 1187 CA MET A 78 4.442 6.607 14.616 1.00 0.00 C ATOM 1188 C MET A 78 4.619 6.082 13.189 1.00 0.00 C ATOM 1189 O MET A 78 3.680 5.625 12.568 1.00 0.00 O ATOM 1190 CB MET A 78 3.984 8.066 14.574 1.00 0.00 C ATOM 1191 CG MET A 78 3.237 8.401 15.866 1.00 0.00 C ATOM 1192 SD MET A 78 4.195 7.810 17.283 1.00 0.00 S ATOM 1193 CE MET A 78 5.017 9.375 17.667 1.00 0.00 C ATOM 0 H MET A 78 6.378 7.299 15.191 1.00 0.00 H new ATOM 0 HA MET A 78 3.693 6.003 15.128 1.00 0.00 H new ATOM 0 HB2 MET A 78 4.844 8.725 14.457 1.00 0.00 H new ATOM 0 HB3 MET A 78 3.336 8.231 13.713 1.00 0.00 H new ATOM 0 HG2 MET A 78 3.082 9.477 15.941 1.00 0.00 H new ATOM 0 HG3 MET A 78 2.251 7.936 15.860 1.00 0.00 H new ATOM 0 HE1 MET A 78 5.672 9.240 18.528 1.00 0.00 H new ATOM 0 HE2 MET A 78 5.607 9.696 16.809 1.00 0.00 H new ATOM 0 HE3 MET A 78 4.268 10.133 17.896 1.00 0.00 H new ATOM 1203 N SER A 79 5.813 6.142 12.664 1.00 0.00 N ATOM 1204 CA SER A 79 6.043 5.644 11.279 1.00 0.00 C ATOM 1205 C SER A 79 5.055 6.316 10.323 1.00 0.00 C ATOM 1206 O SER A 79 4.929 7.525 10.297 1.00 0.00 O ATOM 1207 CB SER A 79 5.835 4.129 11.242 1.00 0.00 C ATOM 1208 OG SER A 79 6.630 3.522 12.251 1.00 0.00 O ATOM 0 H SER A 79 6.638 6.514 13.134 1.00 0.00 H new ATOM 0 HA SER A 79 7.062 5.880 10.973 1.00 0.00 H new ATOM 0 HB2 SER A 79 4.783 3.891 11.399 1.00 0.00 H new ATOM 0 HB3 SER A 79 6.108 3.737 10.262 1.00 0.00 H new ATOM 0 HG SER A 79 6.498 2.551 12.232 1.00 0.00 H new ATOM 1214 N ALA A 80 4.355 5.540 9.537 1.00 0.00 N ATOM 1215 CA ALA A 80 3.371 6.126 8.580 1.00 0.00 C ATOM 1216 C ALA A 80 2.111 5.261 8.558 1.00 0.00 C ATOM 1217 O ALA A 80 1.554 4.984 7.515 1.00 0.00 O ATOM 1218 CB ALA A 80 3.983 6.179 7.179 1.00 0.00 C ATOM 0 H ALA A 80 4.423 4.522 9.517 1.00 0.00 H new ATOM 0 HA ALA A 80 3.114 7.137 8.896 1.00 0.00 H new ATOM 0 HB1 ALA A 80 3.262 6.607 6.483 1.00 0.00 H new ATOM 0 HB2 ALA A 80 4.881 6.797 7.197 1.00 0.00 H new ATOM 0 HB3 ALA A 80 4.243 5.171 6.857 1.00 0.00 H new ATOM 1224 N LEU A 81 1.646 4.854 9.707 1.00 0.00 N ATOM 1225 CA LEU A 81 0.420 4.035 9.773 1.00 0.00 C ATOM 1226 C LEU A 81 0.567 2.839 8.785 1.00 0.00 C ATOM 1227 O LEU A 81 1.597 2.722 8.151 1.00 0.00 O ATOM 1228 CB LEU A 81 -0.737 4.992 9.461 1.00 0.00 C ATOM 1229 CG LEU A 81 -1.720 5.063 10.665 1.00 0.00 C ATOM 1230 CD1 LEU A 81 -1.198 6.088 11.672 1.00 0.00 C ATOM 1231 CD2 LEU A 81 -3.123 5.494 10.220 1.00 0.00 C ATOM 0 H LEU A 81 2.074 5.061 10.609 1.00 0.00 H new ATOM 0 HA LEU A 81 0.232 3.581 10.746 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -0.347 5.986 9.243 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -1.267 4.655 8.570 1.00 0.00 H new ATOM 0 HG LEU A 81 -1.784 4.070 11.109 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -1.880 6.145 12.520 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -0.211 5.785 12.021 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -1.130 7.065 11.194 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -3.784 5.533 11.086 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -3.071 6.480 9.758 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -3.513 4.776 9.499 1.00 0.00 H new ATOM 1243 N PRO A 82 -0.404 1.933 8.725 1.00 0.00 N ATOM 1244 CA PRO A 82 -0.286 0.717 7.878 1.00 0.00 C ATOM 1245 C PRO A 82 0.107 0.940 6.409 1.00 0.00 C ATOM 1246 O PRO A 82 -0.431 1.762 5.693 1.00 0.00 O ATOM 1247 CB PRO A 82 -1.654 0.032 7.962 1.00 0.00 C ATOM 1248 CG PRO A 82 -2.535 0.852 8.927 1.00 0.00 C ATOM 1249 CD PRO A 82 -1.692 2.014 9.464 1.00 0.00 C ATOM 0 HA PRO A 82 0.542 0.121 8.261 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -2.115 -0.021 6.976 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -1.547 -0.992 8.320 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -3.418 1.228 8.411 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -2.888 0.226 9.747 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -2.185 2.971 9.293 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -1.536 1.924 10.539 1.00 0.00 H new ATOM 1257 N VAL A 83 1.012 0.108 5.962 1.00 0.00 N ATOM 1258 CA VAL A 83 1.460 0.101 4.543 1.00 0.00 C ATOM 1259 C VAL A 83 1.240 -1.310 4.042 1.00 0.00 C ATOM 1260 O VAL A 83 1.889 -2.221 4.511 1.00 0.00 O ATOM 1261 CB VAL A 83 2.969 0.365 4.429 1.00 0.00 C ATOM 1262 CG1 VAL A 83 3.528 -0.332 3.167 1.00 0.00 C ATOM 1263 CG2 VAL A 83 3.252 1.854 4.326 1.00 0.00 C ATOM 0 H VAL A 83 1.473 -0.590 6.546 1.00 0.00 H new ATOM 0 HA VAL A 83 0.917 0.866 3.988 1.00 0.00 H new ATOM 0 HB VAL A 83 3.449 -0.030 5.324 1.00 0.00 H new ATOM 0 HG11 VAL A 83 4.599 -0.142 3.090 1.00 0.00 H new ATOM 0 HG12 VAL A 83 3.354 -1.406 3.237 1.00 0.00 H new ATOM 0 HG13 VAL A 83 3.026 0.060 2.282 1.00 0.00 H new ATOM 0 HG21 VAL A 83 4.327 2.015 4.246 1.00 0.00 H new ATOM 0 HG22 VAL A 83 2.758 2.258 3.442 1.00 0.00 H new ATOM 0 HG23 VAL A 83 2.874 2.359 5.215 1.00 0.00 H new ATOM 1273 N LEU A 84 0.380 -1.518 3.093 1.00 0.00 N ATOM 1274 CA LEU A 84 0.220 -2.904 2.593 1.00 0.00 C ATOM 1275 C LEU A 84 0.960 -2.996 1.278 1.00 0.00 C ATOM 1276 O LEU A 84 0.529 -2.482 0.265 1.00 0.00 O ATOM 1277 CB LEU A 84 -1.268 -3.259 2.427 1.00 0.00 C ATOM 1278 CG LEU A 84 -1.493 -4.744 2.014 1.00 0.00 C ATOM 1279 CD1 LEU A 84 -0.349 -5.681 2.446 1.00 0.00 C ATOM 1280 CD2 LEU A 84 -2.774 -5.247 2.676 1.00 0.00 C ATOM 0 H LEU A 84 -0.206 -0.809 2.651 1.00 0.00 H new ATOM 0 HA LEU A 84 0.631 -3.620 3.305 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -1.790 -3.064 3.364 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -1.711 -2.606 1.674 1.00 0.00 H new ATOM 0 HG LEU A 84 -1.547 -4.762 0.925 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -0.572 -6.699 2.126 1.00 0.00 H new ATOM 0 HD12 LEU A 84 0.583 -5.352 1.987 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -0.248 -5.656 3.531 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -2.945 -6.286 2.396 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -2.676 -5.175 3.759 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -3.617 -4.639 2.346 1.00 0.00 H new ATOM 1292 N MET A 85 2.089 -3.641 1.292 1.00 0.00 N ATOM 1293 CA MET A 85 2.867 -3.748 0.047 1.00 0.00 C ATOM 1294 C MET A 85 2.064 -4.596 -0.935 1.00 0.00 C ATOM 1295 O MET A 85 1.214 -5.368 -0.535 1.00 0.00 O ATOM 1296 CB MET A 85 4.220 -4.400 0.342 1.00 0.00 C ATOM 1297 CG MET A 85 5.312 -3.696 -0.465 1.00 0.00 C ATOM 1298 SD MET A 85 5.746 -2.137 0.347 1.00 0.00 S ATOM 1299 CE MET A 85 7.018 -1.614 -0.828 1.00 0.00 C ATOM 0 H MET A 85 2.499 -4.094 2.109 1.00 0.00 H new ATOM 0 HA MET A 85 3.052 -2.763 -0.381 1.00 0.00 H new ATOM 0 HB2 MET A 85 4.442 -4.336 1.407 1.00 0.00 H new ATOM 0 HB3 MET A 85 4.189 -5.459 0.086 1.00 0.00 H new ATOM 0 HG2 MET A 85 6.191 -4.335 -0.544 1.00 0.00 H new ATOM 0 HG3 MET A 85 4.964 -3.506 -1.480 1.00 0.00 H new ATOM 0 HE1 MET A 85 7.152 -0.534 -0.763 1.00 0.00 H new ATOM 0 HE2 MET A 85 7.959 -2.111 -0.591 1.00 0.00 H new ATOM 0 HE3 MET A 85 6.711 -1.881 -1.839 1.00 0.00 H new ATOM 1309 N VAL A 86 2.299 -4.445 -2.208 1.00 0.00 N ATOM 1310 CA VAL A 86 1.516 -5.228 -3.208 1.00 0.00 C ATOM 1311 C VAL A 86 2.448 -5.793 -4.279 1.00 0.00 C ATOM 1312 O VAL A 86 3.380 -5.142 -4.706 1.00 0.00 O ATOM 1313 CB VAL A 86 0.500 -4.295 -3.857 1.00 0.00 C ATOM 1314 CG1 VAL A 86 -0.414 -5.104 -4.767 1.00 0.00 C ATOM 1315 CG2 VAL A 86 -0.327 -3.609 -2.768 1.00 0.00 C ATOM 0 H VAL A 86 2.998 -3.815 -2.601 1.00 0.00 H new ATOM 0 HA VAL A 86 1.010 -6.058 -2.714 1.00 0.00 H new ATOM 0 HB VAL A 86 1.017 -3.537 -4.446 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -1.143 -4.441 -5.234 1.00 0.00 H new ATOM 0 HG12 VAL A 86 0.181 -5.591 -5.540 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -0.935 -5.860 -4.180 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -1.054 -2.941 -3.230 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -0.849 -4.363 -2.179 1.00 0.00 H new ATOM 0 HG23 VAL A 86 0.333 -3.034 -2.118 1.00 0.00 H new ATOM 1325 N THR A 87 2.207 -7.003 -4.719 1.00 0.00 N ATOM 1326 CA THR A 87 3.099 -7.585 -5.767 1.00 0.00 C ATOM 1327 C THR A 87 2.319 -8.568 -6.644 1.00 0.00 C ATOM 1328 O THR A 87 1.162 -8.847 -6.407 1.00 0.00 O ATOM 1329 CB THR A 87 4.265 -8.313 -5.096 1.00 0.00 C ATOM 1330 OG1 THR A 87 5.113 -8.866 -6.092 1.00 0.00 O ATOM 1331 CG2 THR A 87 3.724 -9.429 -4.206 1.00 0.00 C ATOM 0 H THR A 87 1.445 -7.604 -4.404 1.00 0.00 H new ATOM 0 HA THR A 87 3.480 -6.779 -6.394 1.00 0.00 H new ATOM 0 HB THR A 87 4.833 -7.609 -4.488 1.00 0.00 H new ATOM 0 HG1 THR A 87 5.357 -8.170 -6.737 1.00 0.00 H new ATOM 0 HG21 THR A 87 4.555 -9.948 -3.728 1.00 0.00 H new ATOM 0 HG22 THR A 87 3.074 -9.002 -3.442 1.00 0.00 H new ATOM 0 HG23 THR A 87 3.156 -10.135 -4.812 1.00 0.00 H new ATOM 1339 N ALA A 88 2.956 -9.100 -7.653 1.00 0.00 N ATOM 1340 CA ALA A 88 2.270 -10.074 -8.547 1.00 0.00 C ATOM 1341 C ALA A 88 2.587 -11.493 -8.075 1.00 0.00 C ATOM 1342 O ALA A 88 2.458 -11.808 -6.910 1.00 0.00 O ATOM 1343 CB ALA A 88 2.768 -9.892 -9.983 1.00 0.00 C ATOM 0 H ALA A 88 3.926 -8.900 -7.896 1.00 0.00 H new ATOM 0 HA ALA A 88 1.194 -9.906 -8.515 1.00 0.00 H new ATOM 0 HB1 ALA A 88 2.265 -10.605 -10.636 1.00 0.00 H new ATOM 0 HB2 ALA A 88 2.550 -8.878 -10.318 1.00 0.00 H new ATOM 0 HB3 ALA A 88 3.844 -10.063 -10.019 1.00 0.00 H new ATOM 1349 N GLU A 89 3.005 -12.350 -8.967 1.00 0.00 N ATOM 1350 CA GLU A 89 3.332 -13.745 -8.557 1.00 0.00 C ATOM 1351 C GLU A 89 4.316 -13.708 -7.385 1.00 0.00 C ATOM 1352 O GLU A 89 5.516 -13.719 -7.569 1.00 0.00 O ATOM 1353 CB GLU A 89 3.965 -14.494 -9.732 1.00 0.00 C ATOM 1354 CG GLU A 89 5.229 -13.762 -10.184 1.00 0.00 C ATOM 1355 CD GLU A 89 5.222 -13.628 -11.708 1.00 0.00 C ATOM 1356 OE1 GLU A 89 5.191 -14.650 -12.372 1.00 0.00 O ATOM 1357 OE2 GLU A 89 5.248 -12.504 -12.184 1.00 0.00 O ATOM 0 H GLU A 89 3.134 -12.145 -9.958 1.00 0.00 H new ATOM 0 HA GLU A 89 2.419 -14.258 -8.255 1.00 0.00 H new ATOM 0 HB2 GLU A 89 4.209 -15.515 -9.437 1.00 0.00 H new ATOM 0 HB3 GLU A 89 3.257 -14.562 -10.558 1.00 0.00 H new ATOM 0 HG2 GLU A 89 5.276 -12.776 -9.722 1.00 0.00 H new ATOM 0 HG3 GLU A 89 6.115 -14.309 -9.860 1.00 0.00 H new ATOM 1364 N ALA A 90 3.813 -13.659 -6.184 1.00 0.00 N ATOM 1365 CA ALA A 90 4.713 -13.614 -4.998 1.00 0.00 C ATOM 1366 C ALA A 90 5.778 -14.705 -5.121 1.00 0.00 C ATOM 1367 O ALA A 90 5.473 -15.881 -5.161 1.00 0.00 O ATOM 1368 CB ALA A 90 3.886 -13.842 -3.732 1.00 0.00 C ATOM 0 H ALA A 90 2.815 -13.648 -5.972 1.00 0.00 H new ATOM 0 HA ALA A 90 5.202 -12.641 -4.945 1.00 0.00 H new ATOM 0 HB1 ALA A 90 4.539 -13.810 -2.860 1.00 0.00 H new ATOM 0 HB2 ALA A 90 3.129 -13.063 -3.647 1.00 0.00 H new ATOM 0 HB3 ALA A 90 3.400 -14.816 -3.786 1.00 0.00 H new ATOM 1374 N LYS A 91 7.028 -14.325 -5.178 1.00 0.00 N ATOM 1375 CA LYS A 91 8.111 -15.340 -5.298 1.00 0.00 C ATOM 1376 C LYS A 91 8.654 -15.674 -3.907 1.00 0.00 C ATOM 1377 O LYS A 91 9.629 -16.384 -3.767 1.00 0.00 O ATOM 1378 CB LYS A 91 9.242 -14.781 -6.164 1.00 0.00 C ATOM 1379 CG LYS A 91 9.454 -15.687 -7.378 1.00 0.00 C ATOM 1380 CD LYS A 91 10.552 -15.101 -8.267 1.00 0.00 C ATOM 1381 CE LYS A 91 10.706 -15.959 -9.524 1.00 0.00 C ATOM 1382 NZ LYS A 91 11.866 -15.467 -10.320 1.00 0.00 N ATOM 0 H LYS A 91 7.343 -13.356 -5.146 1.00 0.00 H new ATOM 0 HA LYS A 91 7.711 -16.243 -5.760 1.00 0.00 H new ATOM 0 HB2 LYS A 91 8.998 -13.770 -6.490 1.00 0.00 H new ATOM 0 HB3 LYS A 91 10.161 -14.715 -5.582 1.00 0.00 H new ATOM 0 HG2 LYS A 91 9.731 -16.690 -7.053 1.00 0.00 H new ATOM 0 HG3 LYS A 91 8.526 -15.780 -7.942 1.00 0.00 H new ATOM 0 HD2 LYS A 91 10.303 -14.076 -8.542 1.00 0.00 H new ATOM 0 HD3 LYS A 91 11.495 -15.064 -7.721 1.00 0.00 H new ATOM 0 HE2 LYS A 91 10.856 -17.003 -9.249 1.00 0.00 H new ATOM 0 HE3 LYS A 91 9.796 -15.915 -10.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 11.972 -16.049 -11.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 11.704 -14.477 -10.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 12.732 -15.531 -9.748 1.00 0.00 H new ATOM 1396 N LYS A 92 8.030 -15.164 -2.879 1.00 0.00 N ATOM 1397 CA LYS A 92 8.505 -15.445 -1.493 1.00 0.00 C ATOM 1398 C LYS A 92 9.768 -14.628 -1.213 1.00 0.00 C ATOM 1399 O LYS A 92 9.793 -13.790 -0.334 1.00 0.00 O ATOM 1400 CB LYS A 92 8.817 -16.937 -1.348 1.00 0.00 C ATOM 1401 CG LYS A 92 8.475 -17.394 0.072 1.00 0.00 C ATOM 1402 CD LYS A 92 8.934 -18.840 0.266 1.00 0.00 C ATOM 1403 CE LYS A 92 10.025 -18.890 1.337 1.00 0.00 C ATOM 1404 NZ LYS A 92 9.449 -18.490 2.652 1.00 0.00 N ATOM 0 H LYS A 92 7.208 -14.562 -2.940 1.00 0.00 H new ATOM 0 HA LYS A 92 7.728 -15.169 -0.781 1.00 0.00 H new ATOM 0 HB2 LYS A 92 8.243 -17.512 -2.075 1.00 0.00 H new ATOM 0 HB3 LYS A 92 9.871 -17.121 -1.557 1.00 0.00 H new ATOM 0 HG2 LYS A 92 8.961 -16.746 0.801 1.00 0.00 H new ATOM 0 HG3 LYS A 92 7.401 -17.316 0.242 1.00 0.00 H new ATOM 0 HD2 LYS A 92 8.091 -19.464 0.562 1.00 0.00 H new ATOM 0 HD3 LYS A 92 9.313 -19.241 -0.674 1.00 0.00 H new ATOM 0 HE2 LYS A 92 10.441 -19.895 1.401 1.00 0.00 H new ATOM 0 HE3 LYS A 92 10.844 -18.223 1.069 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 9.982 -18.948 3.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 9.509 -17.457 2.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 8.453 -18.785 2.699 1.00 0.00 H new ATOM 1418 N GLU A 93 10.818 -14.869 -1.951 1.00 0.00 N ATOM 1419 CA GLU A 93 12.080 -14.112 -1.727 1.00 0.00 C ATOM 1420 C GLU A 93 11.769 -12.619 -1.589 1.00 0.00 C ATOM 1421 O GLU A 93 12.413 -11.910 -0.841 1.00 0.00 O ATOM 1422 CB GLU A 93 13.020 -14.329 -2.915 1.00 0.00 C ATOM 1423 CG GLU A 93 13.981 -15.477 -2.601 1.00 0.00 C ATOM 1424 CD GLU A 93 13.180 -16.740 -2.283 1.00 0.00 C ATOM 1425 OE1 GLU A 93 12.595 -16.794 -1.214 1.00 0.00 O ATOM 1426 OE2 GLU A 93 13.164 -17.634 -3.113 1.00 0.00 O ATOM 0 H GLU A 93 10.855 -15.560 -2.701 1.00 0.00 H new ATOM 0 HA GLU A 93 12.557 -14.467 -0.813 1.00 0.00 H new ATOM 0 HB2 GLU A 93 12.444 -14.558 -3.811 1.00 0.00 H new ATOM 0 HB3 GLU A 93 13.581 -13.417 -3.120 1.00 0.00 H new ATOM 0 HG2 GLU A 93 14.640 -15.656 -3.450 1.00 0.00 H new ATOM 0 HG3 GLU A 93 14.615 -15.213 -1.755 1.00 0.00 H new ATOM 1433 N ASN A 94 10.788 -12.136 -2.302 1.00 0.00 N ATOM 1434 CA ASN A 94 10.444 -10.689 -2.206 1.00 0.00 C ATOM 1435 C ASN A 94 9.513 -10.464 -1.014 1.00 0.00 C ATOM 1436 O ASN A 94 9.695 -9.549 -0.236 1.00 0.00 O ATOM 1437 CB ASN A 94 9.757 -10.237 -3.497 1.00 0.00 C ATOM 1438 CG ASN A 94 8.488 -9.454 -3.162 1.00 0.00 C ATOM 1439 OD1 ASN A 94 8.572 -8.382 -2.424 1.00 0.00 O flip ATOM 1440 ND2 ASN A 94 7.407 -9.821 -3.579 1.00 0.00 N flip ATOM 0 H ASN A 94 10.212 -12.679 -2.945 1.00 0.00 H new ATOM 0 HA ASN A 94 11.355 -10.107 -2.065 1.00 0.00 H new ATOM 0 HB2 ASN A 94 10.435 -9.615 -4.082 1.00 0.00 H new ATOM 0 HB3 ASN A 94 9.509 -11.103 -4.110 1.00 0.00 H new ATOM 0 HD21 ASN A 94 7.341 -10.659 -4.156 1.00 0.00 H new ATOM 0 HD22 ASN A 94 6.566 -9.291 -3.352 1.00 0.00 H new ATOM 1447 N ILE A 95 8.520 -11.294 -0.855 1.00 0.00 N ATOM 1448 CA ILE A 95 7.592 -11.122 0.297 1.00 0.00 C ATOM 1449 C ILE A 95 8.413 -10.941 1.572 1.00 0.00 C ATOM 1450 O ILE A 95 8.112 -10.110 2.405 1.00 0.00 O ATOM 1451 CB ILE A 95 6.705 -12.362 0.443 1.00 0.00 C ATOM 1452 CG1 ILE A 95 6.018 -12.681 -0.890 1.00 0.00 C ATOM 1453 CG2 ILE A 95 5.643 -12.110 1.515 1.00 0.00 C ATOM 1454 CD1 ILE A 95 5.324 -11.432 -1.443 1.00 0.00 C ATOM 0 H ILE A 95 8.312 -12.081 -1.470 1.00 0.00 H new ATOM 0 HA ILE A 95 6.962 -10.249 0.127 1.00 0.00 H new ATOM 0 HB ILE A 95 7.327 -13.208 0.735 1.00 0.00 H new ATOM 0 HG12 ILE A 95 6.753 -13.045 -1.608 1.00 0.00 H new ATOM 0 HG13 ILE A 95 5.288 -13.478 -0.749 1.00 0.00 H new ATOM 0 HG21 ILE A 95 5.013 -12.993 1.618 1.00 0.00 H new ATOM 0 HG22 ILE A 95 6.130 -11.899 2.467 1.00 0.00 H new ATOM 0 HG23 ILE A 95 5.029 -11.258 1.225 1.00 0.00 H new ATOM 0 HD11 ILE A 95 4.841 -11.673 -2.390 1.00 0.00 H new ATOM 0 HD12 ILE A 95 4.575 -11.087 -0.731 1.00 0.00 H new ATOM 0 HD13 ILE A 95 6.062 -10.646 -1.603 1.00 0.00 H new ATOM 1466 N ILE A 96 9.455 -11.711 1.728 1.00 0.00 N ATOM 1467 CA ILE A 96 10.296 -11.576 2.946 1.00 0.00 C ATOM 1468 C ILE A 96 11.081 -10.269 2.866 1.00 0.00 C ATOM 1469 O ILE A 96 11.441 -9.693 3.869 1.00 0.00 O ATOM 1470 CB ILE A 96 11.267 -12.755 3.036 1.00 0.00 C ATOM 1471 CG1 ILE A 96 10.557 -13.951 3.676 1.00 0.00 C ATOM 1472 CG2 ILE A 96 12.473 -12.364 3.893 1.00 0.00 C ATOM 1473 CD1 ILE A 96 11.406 -15.209 3.491 1.00 0.00 C ATOM 0 H ILE A 96 9.758 -12.425 1.066 1.00 0.00 H new ATOM 0 HA ILE A 96 9.661 -11.570 3.832 1.00 0.00 H new ATOM 0 HB ILE A 96 11.605 -13.022 2.035 1.00 0.00 H new ATOM 0 HG12 ILE A 96 10.392 -13.764 4.737 1.00 0.00 H new ATOM 0 HG13 ILE A 96 9.577 -14.091 3.221 1.00 0.00 H new ATOM 0 HG21 ILE A 96 13.163 -13.205 3.956 1.00 0.00 H new ATOM 0 HG22 ILE A 96 12.980 -11.512 3.440 1.00 0.00 H new ATOM 0 HG23 ILE A 96 12.136 -12.096 4.894 1.00 0.00 H new ATOM 0 HD11 ILE A 96 10.900 -16.060 3.947 1.00 0.00 H new ATOM 0 HD12 ILE A 96 11.548 -15.399 2.427 1.00 0.00 H new ATOM 0 HD13 ILE A 96 12.376 -15.066 3.967 1.00 0.00 H new ATOM 1485 N ALA A 97 11.344 -9.792 1.682 1.00 0.00 N ATOM 1486 CA ALA A 97 12.099 -8.516 1.553 1.00 0.00 C ATOM 1487 C ALA A 97 11.302 -7.399 2.222 1.00 0.00 C ATOM 1488 O ALA A 97 11.808 -6.675 3.056 1.00 0.00 O ATOM 1489 CB ALA A 97 12.307 -8.187 0.075 1.00 0.00 C ATOM 0 H ALA A 97 11.070 -10.228 0.802 1.00 0.00 H new ATOM 0 HA ALA A 97 13.072 -8.614 2.035 1.00 0.00 H new ATOM 0 HB1 ALA A 97 12.860 -7.252 -0.015 1.00 0.00 H new ATOM 0 HB2 ALA A 97 12.871 -8.990 -0.401 1.00 0.00 H new ATOM 0 HB3 ALA A 97 11.339 -8.084 -0.415 1.00 0.00 H new ATOM 1495 N ALA A 98 10.053 -7.259 1.871 1.00 0.00 N ATOM 1496 CA ALA A 98 9.226 -6.194 2.501 1.00 0.00 C ATOM 1497 C ALA A 98 8.850 -6.623 3.909 1.00 0.00 C ATOM 1498 O ALA A 98 9.032 -5.894 4.863 1.00 0.00 O ATOM 1499 CB ALA A 98 7.938 -5.970 1.710 1.00 0.00 C ATOM 0 H ALA A 98 9.572 -7.833 1.179 1.00 0.00 H new ATOM 0 HA ALA A 98 9.806 -5.271 2.516 1.00 0.00 H new ATOM 0 HB1 ALA A 98 7.349 -5.188 2.188 1.00 0.00 H new ATOM 0 HB2 ALA A 98 8.184 -5.668 0.692 1.00 0.00 H new ATOM 0 HB3 ALA A 98 7.361 -6.894 1.685 1.00 0.00 H new ATOM 1505 N ALA A 99 8.311 -7.799 4.046 1.00 0.00 N ATOM 1506 CA ALA A 99 7.912 -8.258 5.388 1.00 0.00 C ATOM 1507 C ALA A 99 9.140 -8.250 6.301 1.00 0.00 C ATOM 1508 O ALA A 99 9.030 -8.066 7.496 1.00 0.00 O ATOM 1509 CB ALA A 99 7.345 -9.670 5.305 1.00 0.00 C ATOM 0 H ALA A 99 8.133 -8.455 3.286 1.00 0.00 H new ATOM 0 HA ALA A 99 7.147 -7.593 5.790 1.00 0.00 H new ATOM 0 HB1 ALA A 99 7.052 -10.003 6.300 1.00 0.00 H new ATOM 0 HB2 ALA A 99 6.474 -9.674 4.650 1.00 0.00 H new ATOM 0 HB3 ALA A 99 8.103 -10.344 4.905 1.00 0.00 H new ATOM 1515 N GLN A 100 10.319 -8.421 5.751 1.00 0.00 N ATOM 1516 CA GLN A 100 11.530 -8.375 6.616 1.00 0.00 C ATOM 1517 C GLN A 100 11.480 -7.031 7.319 1.00 0.00 C ATOM 1518 O GLN A 100 11.851 -6.885 8.466 1.00 0.00 O ATOM 1519 CB GLN A 100 12.805 -8.469 5.773 1.00 0.00 C ATOM 1520 CG GLN A 100 13.968 -7.838 6.541 1.00 0.00 C ATOM 1521 CD GLN A 100 15.291 -8.395 6.011 1.00 0.00 C ATOM 1522 OE1 GLN A 100 16.241 -8.547 6.755 1.00 0.00 O ATOM 1523 NE2 GLN A 100 15.395 -8.708 4.749 1.00 0.00 N ATOM 0 H GLN A 100 10.489 -8.587 4.759 1.00 0.00 H new ATOM 0 HA GLN A 100 11.544 -9.209 7.318 1.00 0.00 H new ATOM 0 HB2 GLN A 100 13.028 -9.511 5.545 1.00 0.00 H new ATOM 0 HB3 GLN A 100 12.663 -7.958 4.821 1.00 0.00 H new ATOM 0 HG2 GLN A 100 13.946 -6.754 6.429 1.00 0.00 H new ATOM 0 HG3 GLN A 100 13.872 -8.050 7.606 1.00 0.00 H new ATOM 0 HE21 GLN A 100 14.599 -8.581 4.125 1.00 0.00 H new ATOM 0 HE22 GLN A 100 16.273 -9.080 4.387 1.00 0.00 H new ATOM 1532 N ALA A 101 10.956 -6.060 6.628 1.00 0.00 N ATOM 1533 CA ALA A 101 10.788 -4.714 7.223 1.00 0.00 C ATOM 1534 C ALA A 101 9.492 -4.785 8.021 1.00 0.00 C ATOM 1535 O ALA A 101 9.263 -4.050 8.961 1.00 0.00 O ATOM 1536 CB ALA A 101 10.673 -3.676 6.107 1.00 0.00 C ATOM 0 H ALA A 101 10.634 -6.146 5.664 1.00 0.00 H new ATOM 0 HA ALA A 101 11.630 -4.428 7.853 1.00 0.00 H new ATOM 0 HB1 ALA A 101 10.549 -2.685 6.543 1.00 0.00 H new ATOM 0 HB2 ALA A 101 11.577 -3.694 5.498 1.00 0.00 H new ATOM 0 HB3 ALA A 101 9.810 -3.908 5.482 1.00 0.00 H new ATOM 1542 N GLY A 102 8.669 -5.728 7.649 1.00 0.00 N ATOM 1543 CA GLY A 102 7.388 -5.971 8.351 1.00 0.00 C ATOM 1544 C GLY A 102 6.469 -4.768 8.279 1.00 0.00 C ATOM 1545 O GLY A 102 6.320 -4.050 9.247 1.00 0.00 O ATOM 0 H GLY A 102 8.842 -6.355 6.864 1.00 0.00 H new ATOM 0 HA2 GLY A 102 6.891 -6.835 7.911 1.00 0.00 H new ATOM 0 HA3 GLY A 102 7.586 -6.215 9.395 1.00 0.00 H new ATOM 1549 N ALA A 103 5.820 -4.530 7.169 1.00 0.00 N ATOM 1550 CA ALA A 103 4.913 -3.359 7.165 1.00 0.00 C ATOM 1551 C ALA A 103 3.546 -3.786 7.680 1.00 0.00 C ATOM 1552 O ALA A 103 3.387 -4.200 8.811 1.00 0.00 O ATOM 1553 CB ALA A 103 4.737 -2.928 5.712 1.00 0.00 C ATOM 0 H ALA A 103 5.876 -5.070 6.306 1.00 0.00 H new ATOM 0 HA ALA A 103 5.320 -2.560 7.785 1.00 0.00 H new ATOM 0 HB1 ALA A 103 4.073 -2.065 5.666 1.00 0.00 H new ATOM 0 HB2 ALA A 103 5.707 -2.662 5.291 1.00 0.00 H new ATOM 0 HB3 ALA A 103 4.305 -3.748 5.139 1.00 0.00 H new ATOM 1559 N SER A 104 2.587 -3.776 6.815 1.00 0.00 N ATOM 1560 CA SER A 104 1.230 -4.279 7.178 1.00 0.00 C ATOM 1561 C SER A 104 1.166 -5.750 6.817 1.00 0.00 C ATOM 1562 O SER A 104 0.768 -6.605 7.584 1.00 0.00 O ATOM 1563 CB SER A 104 0.134 -3.523 6.436 1.00 0.00 C ATOM 1564 OG SER A 104 0.466 -2.148 6.390 1.00 0.00 O ATOM 0 H SER A 104 2.677 -3.438 5.857 1.00 0.00 H new ATOM 0 HA SER A 104 1.067 -4.128 8.245 1.00 0.00 H new ATOM 0 HB2 SER A 104 0.024 -3.917 5.426 1.00 0.00 H new ATOM 0 HB3 SER A 104 -0.824 -3.662 6.938 1.00 0.00 H new ATOM 0 HG SER A 104 1.360 -2.040 6.003 1.00 0.00 H new ATOM 1570 N GLY A 105 1.538 -6.007 5.592 1.00 0.00 N ATOM 1571 CA GLY A 105 1.507 -7.382 5.034 1.00 0.00 C ATOM 1572 C GLY A 105 1.775 -7.310 3.527 1.00 0.00 C ATOM 1573 O GLY A 105 2.349 -6.350 3.033 1.00 0.00 O ATOM 0 H GLY A 105 1.871 -5.297 4.940 1.00 0.00 H new ATOM 0 HA2 GLY A 105 2.258 -8.004 5.521 1.00 0.00 H new ATOM 0 HA3 GLY A 105 0.538 -7.844 5.223 1.00 0.00 H new ATOM 1577 N TYR A 106 1.354 -8.307 2.794 1.00 0.00 N ATOM 1578 CA TYR A 106 1.566 -8.297 1.318 1.00 0.00 C ATOM 1579 C TYR A 106 0.362 -8.931 0.632 1.00 0.00 C ATOM 1580 O TYR A 106 -0.028 -10.039 0.943 1.00 0.00 O ATOM 1581 CB TYR A 106 2.818 -9.102 0.951 1.00 0.00 C ATOM 1582 CG TYR A 106 2.427 -10.286 0.084 1.00 0.00 C ATOM 1583 CD1 TYR A 106 2.139 -10.112 -1.282 1.00 0.00 C ATOM 1584 CD2 TYR A 106 2.356 -11.565 0.650 1.00 0.00 C ATOM 1585 CE1 TYR A 106 1.785 -11.219 -2.066 1.00 0.00 C ATOM 1586 CE2 TYR A 106 2.001 -12.665 -0.137 1.00 0.00 C ATOM 1587 CZ TYR A 106 1.716 -12.494 -1.493 1.00 0.00 C ATOM 1588 OH TYR A 106 1.367 -13.582 -2.267 1.00 0.00 O ATOM 0 H TYR A 106 0.871 -9.130 3.156 1.00 0.00 H new ATOM 0 HA TYR A 106 1.692 -7.265 0.991 1.00 0.00 H new ATOM 0 HB2 TYR A 106 3.527 -8.468 0.419 1.00 0.00 H new ATOM 0 HB3 TYR A 106 3.317 -9.450 1.855 1.00 0.00 H new ATOM 0 HD1 TYR A 106 2.190 -9.129 -1.725 1.00 0.00 H new ATOM 0 HD2 TYR A 106 2.576 -11.702 1.698 1.00 0.00 H new ATOM 0 HE1 TYR A 106 1.565 -11.088 -3.115 1.00 0.00 H new ATOM 0 HE2 TYR A 106 1.947 -13.649 0.305 1.00 0.00 H new ATOM 0 HH TYR A 106 0.555 -13.995 -1.904 1.00 0.00 H new ATOM 1598 N VAL A 107 -0.211 -8.239 -0.312 1.00 0.00 N ATOM 1599 CA VAL A 107 -1.376 -8.790 -1.053 1.00 0.00 C ATOM 1600 C VAL A 107 -0.967 -8.986 -2.506 1.00 0.00 C ATOM 1601 O VAL A 107 -0.268 -8.173 -3.076 1.00 0.00 O ATOM 1602 CB VAL A 107 -2.541 -7.808 -0.993 1.00 0.00 C ATOM 1603 CG1 VAL A 107 -2.162 -6.536 -1.749 1.00 0.00 C ATOM 1604 CG2 VAL A 107 -3.767 -8.449 -1.647 1.00 0.00 C ATOM 0 H VAL A 107 0.082 -7.306 -0.604 1.00 0.00 H new ATOM 0 HA VAL A 107 -1.684 -9.736 -0.608 1.00 0.00 H new ATOM 0 HB VAL A 107 -2.768 -7.560 0.044 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -2.991 -5.829 -1.710 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -1.281 -6.088 -1.289 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -1.943 -6.782 -2.788 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -4.605 -7.753 -1.609 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -3.542 -8.688 -2.686 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -4.029 -9.362 -1.113 1.00 0.00 H new ATOM 1614 N VAL A 108 -1.387 -10.052 -3.117 1.00 0.00 N ATOM 1615 CA VAL A 108 -1.002 -10.269 -4.533 1.00 0.00 C ATOM 1616 C VAL A 108 -1.933 -9.444 -5.430 1.00 0.00 C ATOM 1617 O VAL A 108 -3.055 -9.158 -5.063 1.00 0.00 O ATOM 1618 CB VAL A 108 -1.145 -11.751 -4.886 1.00 0.00 C ATOM 1619 CG1 VAL A 108 0.061 -12.203 -5.711 1.00 0.00 C ATOM 1620 CG2 VAL A 108 -1.227 -12.579 -3.602 1.00 0.00 C ATOM 0 H VAL A 108 -1.974 -10.776 -2.703 1.00 0.00 H new ATOM 0 HA VAL A 108 0.033 -9.962 -4.683 1.00 0.00 H new ATOM 0 HB VAL A 108 -2.055 -11.896 -5.469 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -0.044 -13.259 -5.961 1.00 0.00 H new ATOM 0 HG12 VAL A 108 0.115 -11.617 -6.628 1.00 0.00 H new ATOM 0 HG13 VAL A 108 0.973 -12.056 -5.133 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -1.329 -13.634 -3.855 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -0.320 -12.432 -3.016 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -2.091 -12.261 -3.019 1.00 0.00 H new ATOM 1630 N LYS A 109 -1.482 -9.068 -6.601 1.00 0.00 N ATOM 1631 CA LYS A 109 -2.340 -8.264 -7.530 1.00 0.00 C ATOM 1632 C LYS A 109 -2.334 -8.941 -8.912 1.00 0.00 C ATOM 1633 O LYS A 109 -1.368 -9.598 -9.246 1.00 0.00 O ATOM 1634 CB LYS A 109 -1.746 -6.852 -7.641 1.00 0.00 C ATOM 1635 CG LYS A 109 -0.371 -6.919 -8.312 1.00 0.00 C ATOM 1636 CD LYS A 109 -0.490 -6.448 -9.762 1.00 0.00 C ATOM 1637 CE LYS A 109 0.775 -6.836 -10.530 1.00 0.00 C ATOM 1638 NZ LYS A 109 0.600 -8.193 -11.121 1.00 0.00 N ATOM 0 H LYS A 109 -0.551 -9.284 -6.957 1.00 0.00 H new ATOM 0 HA LYS A 109 -3.363 -8.203 -7.158 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -2.412 -6.212 -8.219 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -1.656 -6.406 -6.650 1.00 0.00 H new ATOM 0 HG2 LYS A 109 0.340 -6.294 -7.772 1.00 0.00 H new ATOM 0 HG3 LYS A 109 0.012 -7.939 -8.280 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -1.365 -6.898 -10.231 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -0.631 -5.368 -9.794 1.00 0.00 H new ATOM 0 HE2 LYS A 109 0.974 -6.108 -11.316 1.00 0.00 H new ATOM 0 HE3 LYS A 109 1.636 -6.827 -9.862 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 1.431 -8.430 -11.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 0.498 -8.893 -10.359 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -0.251 -8.204 -11.718 1.00 0.00 H new ATOM 1652 N PRO A 110 -3.377 -8.760 -9.708 1.00 0.00 N ATOM 1653 CA PRO A 110 -4.596 -7.973 -9.371 1.00 0.00 C ATOM 1654 C PRO A 110 -5.484 -8.724 -8.370 1.00 0.00 C ATOM 1655 O PRO A 110 -5.782 -9.888 -8.551 1.00 0.00 O ATOM 1656 CB PRO A 110 -5.354 -7.851 -10.701 1.00 0.00 C ATOM 1657 CG PRO A 110 -4.546 -8.615 -11.779 1.00 0.00 C ATOM 1658 CD PRO A 110 -3.382 -9.320 -11.070 1.00 0.00 C ATOM 0 HA PRO A 110 -4.337 -7.014 -8.922 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -6.357 -8.268 -10.609 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -5.469 -6.804 -10.981 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -5.179 -9.340 -12.290 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -4.173 -7.927 -12.538 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -3.525 -10.400 -11.053 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -2.437 -9.132 -11.579 1.00 0.00 H new ATOM 1666 N PHE A 111 -5.926 -8.060 -7.330 1.00 0.00 N ATOM 1667 CA PHE A 111 -6.816 -8.735 -6.339 1.00 0.00 C ATOM 1668 C PHE A 111 -8.261 -8.364 -6.632 1.00 0.00 C ATOM 1669 O PHE A 111 -8.542 -7.384 -7.294 1.00 0.00 O ATOM 1670 CB PHE A 111 -6.488 -8.283 -4.907 1.00 0.00 C ATOM 1671 CG PHE A 111 -6.130 -6.817 -4.884 1.00 0.00 C ATOM 1672 CD1 PHE A 111 -7.103 -5.843 -5.155 1.00 0.00 C ATOM 1673 CD2 PHE A 111 -4.818 -6.432 -4.609 1.00 0.00 C ATOM 1674 CE1 PHE A 111 -6.749 -4.489 -5.152 1.00 0.00 C ATOM 1675 CE2 PHE A 111 -4.468 -5.080 -4.599 1.00 0.00 C ATOM 1676 CZ PHE A 111 -5.431 -4.108 -4.874 1.00 0.00 C ATOM 0 H PHE A 111 -5.709 -7.084 -7.126 1.00 0.00 H new ATOM 0 HA PHE A 111 -6.663 -9.811 -6.421 1.00 0.00 H new ATOM 0 HB2 PHE A 111 -7.344 -8.465 -4.257 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -5.659 -8.872 -4.514 1.00 0.00 H new ATOM 0 HD1 PHE A 111 -8.121 -6.137 -5.365 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -4.069 -7.183 -4.403 1.00 0.00 H new ATOM 0 HE1 PHE A 111 -7.494 -3.737 -5.365 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -3.452 -4.787 -4.378 1.00 0.00 H new ATOM 0 HZ PHE A 111 -5.160 -3.063 -4.872 1.00 0.00 H new ATOM 1686 N THR A 112 -9.178 -9.118 -6.110 1.00 0.00 N ATOM 1687 CA THR A 112 -10.611 -8.791 -6.316 1.00 0.00 C ATOM 1688 C THR A 112 -11.070 -7.977 -5.111 1.00 0.00 C ATOM 1689 O THR A 112 -10.594 -8.175 -4.012 1.00 0.00 O ATOM 1690 CB THR A 112 -11.432 -10.079 -6.410 1.00 0.00 C ATOM 1691 OG1 THR A 112 -10.586 -11.152 -6.799 1.00 0.00 O ATOM 1692 CG2 THR A 112 -12.543 -9.900 -7.444 1.00 0.00 C ATOM 0 H THR A 112 -8.998 -9.950 -5.547 1.00 0.00 H new ATOM 0 HA THR A 112 -10.747 -8.229 -7.240 1.00 0.00 H new ATOM 0 HB THR A 112 -11.874 -10.301 -5.439 1.00 0.00 H new ATOM 0 HG1 THR A 112 -11.111 -11.978 -6.858 1.00 0.00 H new ATOM 0 HG21 THR A 112 -13.128 -10.817 -7.512 1.00 0.00 H new ATOM 0 HG22 THR A 112 -13.191 -9.077 -7.143 1.00 0.00 H new ATOM 0 HG23 THR A 112 -12.103 -9.678 -8.416 1.00 0.00 H new ATOM 1700 N ALA A 113 -11.967 -7.053 -5.297 1.00 0.00 N ATOM 1701 CA ALA A 113 -12.421 -6.235 -4.140 1.00 0.00 C ATOM 1702 C ALA A 113 -12.744 -7.159 -2.971 1.00 0.00 C ATOM 1703 O ALA A 113 -12.567 -6.805 -1.823 1.00 0.00 O ATOM 1704 CB ALA A 113 -13.664 -5.431 -4.527 1.00 0.00 C ATOM 0 H ALA A 113 -12.403 -6.829 -6.192 1.00 0.00 H new ATOM 0 HA ALA A 113 -11.631 -5.542 -3.850 1.00 0.00 H new ATOM 0 HB1 ALA A 113 -13.991 -4.834 -3.675 1.00 0.00 H new ATOM 0 HB2 ALA A 113 -13.426 -4.772 -5.362 1.00 0.00 H new ATOM 0 HB3 ALA A 113 -14.462 -6.113 -4.820 1.00 0.00 H new ATOM 1710 N ALA A 114 -13.191 -8.351 -3.248 1.00 0.00 N ATOM 1711 CA ALA A 114 -13.488 -9.289 -2.138 1.00 0.00 C ATOM 1712 C ALA A 114 -12.163 -9.754 -1.547 1.00 0.00 C ATOM 1713 O ALA A 114 -12.042 -9.973 -0.360 1.00 0.00 O ATOM 1714 CB ALA A 114 -14.280 -10.490 -2.661 1.00 0.00 C ATOM 0 H ALA A 114 -13.361 -8.712 -4.187 1.00 0.00 H new ATOM 0 HA ALA A 114 -14.088 -8.792 -1.376 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -14.493 -11.172 -1.838 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -15.217 -10.145 -3.098 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -13.695 -11.009 -3.420 1.00 0.00 H new ATOM 1720 N THR A 115 -11.155 -9.879 -2.366 1.00 0.00 N ATOM 1721 CA THR A 115 -9.833 -10.295 -1.838 1.00 0.00 C ATOM 1722 C THR A 115 -9.254 -9.121 -1.046 1.00 0.00 C ATOM 1723 O THR A 115 -9.108 -9.207 0.157 1.00 0.00 O ATOM 1724 CB THR A 115 -8.903 -10.679 -2.988 1.00 0.00 C ATOM 1725 OG1 THR A 115 -9.274 -11.959 -3.481 1.00 0.00 O ATOM 1726 CG2 THR A 115 -7.457 -10.724 -2.486 1.00 0.00 C ATOM 0 H THR A 115 -11.192 -9.711 -3.371 1.00 0.00 H new ATOM 0 HA THR A 115 -9.938 -11.166 -1.192 1.00 0.00 H new ATOM 0 HB THR A 115 -8.984 -9.941 -3.786 1.00 0.00 H new ATOM 0 HG1 THR A 115 -8.681 -12.209 -4.220 1.00 0.00 H new ATOM 0 HG21 THR A 115 -6.795 -10.998 -3.307 1.00 0.00 H new ATOM 0 HG22 THR A 115 -7.174 -9.743 -2.104 1.00 0.00 H new ATOM 0 HG23 THR A 115 -7.371 -11.463 -1.689 1.00 0.00 H new ATOM 1734 N LEU A 116 -8.938 -8.010 -1.688 1.00 0.00 N ATOM 1735 CA LEU A 116 -8.401 -6.859 -0.909 1.00 0.00 C ATOM 1736 C LEU A 116 -9.279 -6.633 0.326 1.00 0.00 C ATOM 1737 O LEU A 116 -8.789 -6.358 1.403 1.00 0.00 O ATOM 1738 CB LEU A 116 -8.434 -5.593 -1.763 1.00 0.00 C ATOM 1739 CG LEU A 116 -7.342 -4.628 -1.274 1.00 0.00 C ATOM 1740 CD1 LEU A 116 -5.957 -5.151 -1.673 1.00 0.00 C ATOM 1741 CD2 LEU A 116 -7.552 -3.239 -1.890 1.00 0.00 C ATOM 0 H LEU A 116 -9.029 -7.861 -2.693 1.00 0.00 H new ATOM 0 HA LEU A 116 -7.375 -7.078 -0.613 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -8.273 -5.843 -2.812 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -9.413 -5.119 -1.695 1.00 0.00 H new ATOM 0 HG LEU A 116 -7.404 -4.558 -0.188 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -5.192 -4.459 -1.321 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -5.795 -6.131 -1.224 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -5.899 -5.235 -2.758 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -6.773 -2.563 -1.537 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -7.504 -3.312 -2.977 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -8.528 -2.854 -1.595 1.00 0.00 H new ATOM 1753 N GLU A 117 -10.575 -6.739 0.176 1.00 0.00 N ATOM 1754 CA GLU A 117 -11.474 -6.522 1.338 1.00 0.00 C ATOM 1755 C GLU A 117 -11.223 -7.597 2.395 1.00 0.00 C ATOM 1756 O GLU A 117 -10.903 -7.305 3.529 1.00 0.00 O ATOM 1757 CB GLU A 117 -12.932 -6.592 0.878 1.00 0.00 C ATOM 1758 CG GLU A 117 -13.857 -6.514 2.096 1.00 0.00 C ATOM 1759 CD GLU A 117 -15.293 -6.269 1.630 1.00 0.00 C ATOM 1760 OE1 GLU A 117 -15.463 -5.611 0.619 1.00 0.00 O ATOM 1761 OE2 GLU A 117 -16.199 -6.746 2.296 1.00 0.00 O ATOM 0 H GLU A 117 -11.044 -6.966 -0.701 1.00 0.00 H new ATOM 0 HA GLU A 117 -11.273 -5.540 1.767 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -13.147 -5.773 0.192 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -13.108 -7.519 0.333 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -13.802 -7.440 2.668 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -13.536 -5.710 2.759 1.00 0.00 H new ATOM 1768 N GLU A 118 -11.377 -8.837 2.026 1.00 0.00 N ATOM 1769 CA GLU A 118 -11.159 -9.949 2.995 1.00 0.00 C ATOM 1770 C GLU A 118 -9.884 -9.688 3.801 1.00 0.00 C ATOM 1771 O GLU A 118 -9.873 -9.784 5.012 1.00 0.00 O ATOM 1772 CB GLU A 118 -11.020 -11.268 2.227 1.00 0.00 C ATOM 1773 CG GLU A 118 -10.990 -12.441 3.210 1.00 0.00 C ATOM 1774 CD GLU A 118 -12.361 -12.588 3.874 1.00 0.00 C ATOM 1775 OE1 GLU A 118 -12.570 -11.961 4.900 1.00 0.00 O ATOM 1776 OE2 GLU A 118 -13.176 -13.326 3.347 1.00 0.00 O ATOM 0 H GLU A 118 -11.647 -9.131 1.087 1.00 0.00 H new ATOM 0 HA GLU A 118 -12.007 -10.010 3.677 1.00 0.00 H new ATOM 0 HB2 GLU A 118 -11.852 -11.385 1.533 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -10.107 -11.258 1.631 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -10.727 -13.361 2.687 1.00 0.00 H new ATOM 0 HG3 GLU A 118 -10.224 -12.275 3.967 1.00 0.00 H new ATOM 1783 N LYS A 119 -8.811 -9.360 3.139 1.00 0.00 N ATOM 1784 CA LYS A 119 -7.540 -9.094 3.867 1.00 0.00 C ATOM 1785 C LYS A 119 -7.698 -7.844 4.735 1.00 0.00 C ATOM 1786 O LYS A 119 -7.338 -7.832 5.895 1.00 0.00 O ATOM 1787 CB LYS A 119 -6.414 -8.873 2.855 1.00 0.00 C ATOM 1788 CG LYS A 119 -6.175 -10.164 2.069 1.00 0.00 C ATOM 1789 CD LYS A 119 -4.939 -10.880 2.621 1.00 0.00 C ATOM 1790 CE LYS A 119 -3.674 -10.192 2.104 1.00 0.00 C ATOM 1791 NZ LYS A 119 -2.668 -10.115 3.200 1.00 0.00 N ATOM 0 H LYS A 119 -8.759 -9.265 2.125 1.00 0.00 H new ATOM 0 HA LYS A 119 -7.299 -9.947 4.502 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -6.676 -8.063 2.174 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -5.501 -8.574 3.370 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -7.047 -10.813 2.143 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -6.035 -9.938 1.012 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -4.954 -10.865 3.711 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -4.946 -11.927 2.317 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -3.265 -10.746 1.259 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -3.913 -9.191 1.744 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -1.808 -9.647 2.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -3.060 -9.569 3.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -2.433 -11.075 3.523 1.00 0.00 H new ATOM 1805 N LEU A 120 -8.233 -6.790 4.181 1.00 0.00 N ATOM 1806 CA LEU A 120 -8.414 -5.541 4.973 1.00 0.00 C ATOM 1807 C LEU A 120 -9.224 -5.845 6.234 1.00 0.00 C ATOM 1808 O LEU A 120 -8.954 -5.328 7.297 1.00 0.00 O ATOM 1809 CB LEU A 120 -9.164 -4.509 4.128 1.00 0.00 C ATOM 1810 CG LEU A 120 -8.686 -3.100 4.488 1.00 0.00 C ATOM 1811 CD1 LEU A 120 -7.430 -2.759 3.683 1.00 0.00 C ATOM 1812 CD2 LEU A 120 -9.787 -2.090 4.157 1.00 0.00 C ATOM 0 H LEU A 120 -8.553 -6.740 3.214 1.00 0.00 H new ATOM 0 HA LEU A 120 -7.438 -5.147 5.255 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -8.995 -4.701 3.068 1.00 0.00 H new ATOM 0 HB3 LEU A 120 -10.237 -4.594 4.300 1.00 0.00 H new ATOM 0 HG LEU A 120 -8.456 -3.059 5.553 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -7.093 -1.755 3.942 1.00 0.00 H new ATOM 0 HD12 LEU A 120 -6.643 -3.477 3.915 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -7.658 -2.801 2.618 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -9.449 -1.086 4.413 1.00 0.00 H new ATOM 0 HD22 LEU A 120 -10.015 -2.136 3.092 1.00 0.00 H new ATOM 0 HD23 LEU A 120 -10.683 -2.328 4.730 1.00 0.00 H new ATOM 1824 N ASN A 121 -10.221 -6.675 6.124 1.00 0.00 N ATOM 1825 CA ASN A 121 -11.052 -7.004 7.317 1.00 0.00 C ATOM 1826 C ASN A 121 -10.226 -7.808 8.322 1.00 0.00 C ATOM 1827 O ASN A 121 -10.238 -7.537 9.506 1.00 0.00 O ATOM 1828 CB ASN A 121 -12.266 -7.828 6.881 1.00 0.00 C ATOM 1829 CG ASN A 121 -13.547 -7.055 7.197 1.00 0.00 C ATOM 1830 OD1 ASN A 121 -14.239 -6.611 6.303 1.00 0.00 O ATOM 1831 ND2 ASN A 121 -13.898 -6.877 8.441 1.00 0.00 N ATOM 0 H ASN A 121 -10.498 -7.141 5.260 1.00 0.00 H new ATOM 0 HA ASN A 121 -11.386 -6.079 7.787 1.00 0.00 H new ATOM 0 HB2 ASN A 121 -12.211 -8.040 5.813 1.00 0.00 H new ATOM 0 HB3 ASN A 121 -12.271 -8.788 7.397 1.00 0.00 H new ATOM 0 HD21 ASN A 121 -14.753 -6.366 8.662 1.00 0.00 H new ATOM 0 HD22 ASN A 121 -13.318 -7.249 9.193 1.00 0.00 H new ATOM 1838 N LYS A 122 -9.516 -8.797 7.862 1.00 0.00 N ATOM 1839 CA LYS A 122 -8.696 -9.623 8.795 1.00 0.00 C ATOM 1840 C LYS A 122 -7.499 -8.806 9.289 1.00 0.00 C ATOM 1841 O LYS A 122 -6.900 -9.118 10.299 1.00 0.00 O ATOM 1842 CB LYS A 122 -8.197 -10.873 8.069 1.00 0.00 C ATOM 1843 CG LYS A 122 -9.394 -11.707 7.605 1.00 0.00 C ATOM 1844 CD LYS A 122 -9.225 -13.155 8.071 1.00 0.00 C ATOM 1845 CE LYS A 122 -9.394 -13.228 9.590 1.00 0.00 C ATOM 1846 NZ LYS A 122 -10.670 -13.926 9.915 1.00 0.00 N ATOM 0 H LYS A 122 -9.466 -9.071 6.881 1.00 0.00 H new ATOM 0 HA LYS A 122 -9.308 -9.919 9.647 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -7.585 -10.589 7.213 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -7.564 -11.463 8.732 1.00 0.00 H new ATOM 0 HG2 LYS A 122 -10.318 -11.291 8.007 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -9.475 -11.671 6.519 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -9.961 -13.793 7.582 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -8.241 -13.527 7.786 1.00 0.00 H new ATOM 0 HE2 LYS A 122 -8.553 -13.759 10.035 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -9.398 -12.224 10.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -10.785 -13.976 10.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -11.468 -13.401 9.503 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -10.649 -14.889 9.522 1.00 0.00 H new ATOM 1860 N ILE A 123 -7.147 -7.764 8.588 1.00 0.00 N ATOM 1861 CA ILE A 123 -5.990 -6.933 9.023 1.00 0.00 C ATOM 1862 C ILE A 123 -6.479 -5.838 9.973 1.00 0.00 C ATOM 1863 O ILE A 123 -5.839 -5.525 10.957 1.00 0.00 O ATOM 1864 CB ILE A 123 -5.338 -6.287 7.801 1.00 0.00 C ATOM 1865 CG1 ILE A 123 -4.386 -7.288 7.142 1.00 0.00 C ATOM 1866 CG2 ILE A 123 -4.555 -5.046 8.235 1.00 0.00 C ATOM 1867 CD1 ILE A 123 -4.021 -6.799 5.740 1.00 0.00 C ATOM 0 H ILE A 123 -7.610 -7.452 7.734 1.00 0.00 H new ATOM 0 HA ILE A 123 -5.263 -7.563 9.534 1.00 0.00 H new ATOM 0 HB ILE A 123 -6.110 -5.997 7.088 1.00 0.00 H new ATOM 0 HG12 ILE A 123 -3.485 -7.400 7.745 1.00 0.00 H new ATOM 0 HG13 ILE A 123 -4.856 -8.270 7.085 1.00 0.00 H new ATOM 0 HG21 ILE A 123 -4.090 -4.586 7.363 1.00 0.00 H new ATOM 0 HG22 ILE A 123 -5.234 -4.333 8.703 1.00 0.00 H new ATOM 0 HG23 ILE A 123 -3.783 -5.334 8.948 1.00 0.00 H new ATOM 0 HD11 ILE A 123 -3.343 -7.512 5.271 1.00 0.00 H new ATOM 0 HD12 ILE A 123 -4.926 -6.709 5.139 1.00 0.00 H new ATOM 0 HD13 ILE A 123 -3.534 -5.827 5.809 1.00 0.00 H new ATOM 1879 N PHE A 124 -7.604 -5.250 9.681 1.00 0.00 N ATOM 1880 CA PHE A 124 -8.132 -4.171 10.562 1.00 0.00 C ATOM 1881 C PHE A 124 -8.682 -4.779 11.850 1.00 0.00 C ATOM 1882 O PHE A 124 -8.593 -4.189 12.907 1.00 0.00 O ATOM 1883 CB PHE A 124 -9.242 -3.416 9.833 1.00 0.00 C ATOM 1884 CG PHE A 124 -8.638 -2.251 9.089 1.00 0.00 C ATOM 1885 CD1 PHE A 124 -7.783 -2.481 8.006 1.00 0.00 C ATOM 1886 CD2 PHE A 124 -8.928 -0.940 9.484 1.00 0.00 C ATOM 1887 CE1 PHE A 124 -7.222 -1.403 7.317 1.00 0.00 C ATOM 1888 CE2 PHE A 124 -8.364 0.140 8.794 1.00 0.00 C ATOM 1889 CZ PHE A 124 -7.512 -0.093 7.711 1.00 0.00 C ATOM 0 H PHE A 124 -8.182 -5.470 8.870 1.00 0.00 H new ATOM 0 HA PHE A 124 -7.326 -3.480 10.810 1.00 0.00 H new ATOM 0 HB2 PHE A 124 -9.756 -4.081 9.138 1.00 0.00 H new ATOM 0 HB3 PHE A 124 -9.987 -3.062 10.545 1.00 0.00 H new ATOM 0 HD1 PHE A 124 -7.557 -3.492 7.702 1.00 0.00 H new ATOM 0 HD2 PHE A 124 -9.587 -0.761 10.321 1.00 0.00 H new ATOM 0 HE1 PHE A 124 -6.564 -1.581 6.479 1.00 0.00 H new ATOM 0 HE2 PHE A 124 -8.587 1.152 9.098 1.00 0.00 H new ATOM 0 HZ PHE A 124 -7.077 0.739 7.178 1.00 0.00 H new ATOM 1899 N GLU A 125 -9.242 -5.954 11.781 1.00 0.00 N ATOM 1900 CA GLU A 125 -9.779 -6.581 13.015 1.00 0.00 C ATOM 1901 C GLU A 125 -8.693 -6.543 14.087 1.00 0.00 C ATOM 1902 O GLU A 125 -8.967 -6.494 15.269 1.00 0.00 O ATOM 1903 CB GLU A 125 -10.174 -8.029 12.724 1.00 0.00 C ATOM 1904 CG GLU A 125 -11.642 -8.084 12.297 1.00 0.00 C ATOM 1905 CD GLU A 125 -12.538 -7.815 13.507 1.00 0.00 C ATOM 1906 OE1 GLU A 125 -12.001 -7.553 14.571 1.00 0.00 O ATOM 1907 OE2 GLU A 125 -13.747 -7.875 13.350 1.00 0.00 O ATOM 0 H GLU A 125 -9.350 -6.503 10.928 1.00 0.00 H new ATOM 0 HA GLU A 125 -10.660 -6.040 13.360 1.00 0.00 H new ATOM 0 HB2 GLU A 125 -9.540 -8.438 11.937 1.00 0.00 H new ATOM 0 HB3 GLU A 125 -10.019 -8.644 13.610 1.00 0.00 H new ATOM 0 HG2 GLU A 125 -11.833 -7.345 11.519 1.00 0.00 H new ATOM 0 HG3 GLU A 125 -11.871 -9.061 11.872 1.00 0.00 H new ATOM 1914 N LYS A 126 -7.457 -6.547 13.673 1.00 0.00 N ATOM 1915 CA LYS A 126 -6.341 -6.490 14.653 1.00 0.00 C ATOM 1916 C LYS A 126 -5.984 -5.024 14.895 1.00 0.00 C ATOM 1917 O LYS A 126 -5.413 -4.668 15.907 1.00 0.00 O ATOM 1918 CB LYS A 126 -5.126 -7.232 14.094 1.00 0.00 C ATOM 1919 CG LYS A 126 -5.571 -8.577 13.515 1.00 0.00 C ATOM 1920 CD LYS A 126 -6.396 -9.335 14.558 1.00 0.00 C ATOM 1921 CE LYS A 126 -6.448 -10.819 14.189 1.00 0.00 C ATOM 1922 NZ LYS A 126 -7.293 -11.547 15.177 1.00 0.00 N ATOM 0 H LYS A 126 -7.172 -6.587 12.694 1.00 0.00 H new ATOM 0 HA LYS A 126 -6.640 -6.961 15.589 1.00 0.00 H new ATOM 0 HB2 LYS A 126 -4.645 -6.633 13.321 1.00 0.00 H new ATOM 0 HB3 LYS A 126 -4.389 -7.389 14.881 1.00 0.00 H new ATOM 0 HG2 LYS A 126 -6.162 -8.419 12.613 1.00 0.00 H new ATOM 0 HG3 LYS A 126 -4.701 -9.166 13.226 1.00 0.00 H new ATOM 0 HD2 LYS A 126 -5.954 -9.211 15.547 1.00 0.00 H new ATOM 0 HD3 LYS A 126 -7.405 -8.926 14.606 1.00 0.00 H new ATOM 0 HE2 LYS A 126 -6.856 -10.941 13.186 1.00 0.00 H new ATOM 0 HE3 LYS A 126 -5.442 -11.237 14.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 -7.329 -12.556 14.927 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 -6.885 -11.440 16.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 -8.256 -11.154 15.167 1.00 0.00 H new ATOM 1936 N LEU A 127 -6.330 -4.166 13.971 1.00 0.00 N ATOM 1937 CA LEU A 127 -6.027 -2.719 14.143 1.00 0.00 C ATOM 1938 C LEU A 127 -7.124 -2.082 15.000 1.00 0.00 C ATOM 1939 O LEU A 127 -6.935 -1.040 15.594 1.00 0.00 O ATOM 1940 CB LEU A 127 -5.981 -2.033 12.769 1.00 0.00 C ATOM 1941 CG LEU A 127 -5.180 -0.727 12.868 1.00 0.00 C ATOM 1942 CD1 LEU A 127 -3.694 -1.026 13.114 1.00 0.00 C ATOM 1943 CD2 LEU A 127 -5.326 0.054 11.560 1.00 0.00 C ATOM 0 H LEU A 127 -6.810 -4.408 13.104 1.00 0.00 H new ATOM 0 HA LEU A 127 -5.060 -2.600 14.632 1.00 0.00 H new ATOM 0 HB2 LEU A 127 -5.523 -2.697 12.036 1.00 0.00 H new ATOM 0 HB3 LEU A 127 -6.993 -1.825 12.422 1.00 0.00 H new ATOM 0 HG LEU A 127 -5.565 -0.139 13.701 1.00 0.00 H new ATOM 0 HD11 LEU A 127 -3.141 -0.089 13.182 1.00 0.00 H new ATOM 0 HD12 LEU A 127 -3.584 -1.581 14.046 1.00 0.00 H new ATOM 0 HD13 LEU A 127 -3.301 -1.621 12.289 1.00 0.00 H new ATOM 0 HD21 LEU A 127 -4.759 0.983 11.625 1.00 0.00 H new ATOM 0 HD22 LEU A 127 -4.946 -0.546 10.733 1.00 0.00 H new ATOM 0 HD23 LEU A 127 -6.378 0.283 11.388 1.00 0.00 H new ATOM 1955 N GLY A 128 -8.270 -2.709 15.072 1.00 0.00 N ATOM 1956 CA GLY A 128 -9.380 -2.152 15.894 1.00 0.00 C ATOM 1957 C GLY A 128 -9.519 -0.650 15.633 1.00 0.00 C ATOM 1958 O GLY A 128 -9.120 0.168 16.438 1.00 0.00 O ATOM 0 H GLY A 128 -8.483 -3.585 14.595 1.00 0.00 H new ATOM 0 HA2 GLY A 128 -10.314 -2.660 15.652 1.00 0.00 H new ATOM 0 HA3 GLY A 128 -9.185 -2.330 16.952 1.00 0.00 H new ATOM 1962 N MET A 129 -10.086 -0.281 14.518 1.00 0.00 N ATOM 1963 CA MET A 129 -10.251 1.170 14.214 1.00 0.00 C ATOM 1964 C MET A 129 -11.595 1.655 14.762 1.00 0.00 C ATOM 1965 O MET A 129 -12.517 0.858 14.804 1.00 0.00 O ATOM 1966 CB MET A 129 -10.214 1.381 12.700 1.00 0.00 C ATOM 1967 CG MET A 129 -8.902 2.065 12.311 1.00 0.00 C ATOM 1968 SD MET A 129 -8.877 3.745 12.983 1.00 0.00 S ATOM 1969 CE MET A 129 -7.329 4.276 12.210 1.00 0.00 C ATOM 1970 OXT MET A 129 -11.678 2.815 15.129 1.00 0.00 O ATOM 0 H MET A 129 -10.442 -0.918 13.806 1.00 0.00 H new ATOM 0 HA MET A 129 -9.442 1.733 14.680 1.00 0.00 H new ATOM 0 HB2 MET A 129 -10.303 0.424 12.187 1.00 0.00 H new ATOM 0 HB3 MET A 129 -11.061 1.991 12.387 1.00 0.00 H new ATOM 0 HG2 MET A 129 -8.055 1.496 12.694 1.00 0.00 H new ATOM 0 HG3 MET A 129 -8.802 2.094 11.226 1.00 0.00 H new ATOM 0 HE1 MET A 129 -7.115 5.306 12.495 1.00 0.00 H new ATOM 0 HE2 MET A 129 -6.516 3.631 12.543 1.00 0.00 H new ATOM 0 HE3 MET A 129 -7.423 4.211 11.126 1.00 0.00 H new