USER MOD reduce.3.24.130724 H: found=0, std=0, add=1085, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 1085 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 65 ASN : amide:sc= 1.26 K(o=1.3,f=-2.8) USER MOD Set 1.2: A 68 SER OG : rot -138:sc= 0.0275 USER MOD Set 2.1: A 26 ASN : amide:sc= 0.866 K(o=0.91,f=-3.7!) USER MOD Set 2.2: A 105 SER OG : rot -157:sc= 0.0456 USER MOD Single : A 1 ALA N :NH3+ -169:sc= 1.35 (180deg=1.17) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 177:sc= 0.441 (180deg=0.437) USER MOD Single : A 15 GLN : amide:sc= -0.051 X(o=-0.051,f=-0.11) USER MOD Single : A 19 ASN : amide:sc= 0 X(o=0,f=-0.00077) USER MOD Single : A 22 GLN :FLIP amide:sc= -5.54! C(o=-6.3!,f=-5.5!) USER MOD Single : A 23 LYS NZ :NH3+ 137:sc= 1.25 (180deg=0.235) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ -174:sc= 1.9 (180deg=1.76) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 150:sc= -1.3 (180deg=-3.23!) USER MOD Single : A 39 THR OG1 : rot 180:sc= -0.0644 USER MOD Single : A 43 HIS : no HE2:sc= 0.353 K(o=0.35,f=-2.1!) USER MOD Single : A 46 HIS : +bothHN:sc= -3.77! C(o=-3.8!,f=-7.4!) USER MOD Single : A 48 HIS : no HE2:sc= 0.61 K(o=0.61,f=-4!) USER MOD Single : A 53 ASN : amide:sc= 0.797 K(o=0.8,f=-4.6!) USER MOD Single : A 54 THR OG1 : rot 78:sc= 1.27 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 95:sc= 1.2 USER MOD Single : A 63 HIS : no HD1:sc= -0.381 X(o=-0.38,f=0.063) USER MOD Single : A 70 LYS NZ :NH3+ -165:sc= -0.0342 (180deg=-0.294) USER MOD Single : A 71 HIS : no HE2:sc= 0.485 K(o=0.48,f=-4.2!) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 HIS : +bothHN:sc= -0.913 K(o=-0.91,f=-5!) USER MOD Single : A 86 ASN : amide:sc= 0.489 K(o=0.49,f=-5.3!) USER MOD Single : A 88 THR OG1 : rot 35:sc= 0.912 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 SER OG : rot -38:sc= 1.25 USER MOD Single : A 102 SER OG : rot -5:sc= 1.18 USER MOD Single : A 107 SER OG : rot -7:sc= 1.18 USER MOD Single : A 110 HIS : no HE2:sc= -3.66! C(o=-3.7!,f=-5.4!) USER MOD Single : A 111 SER OG : rot 180:sc= 0.3 USER MOD Single : A 116 THR OG1 : rot -100:sc= 0 USER MOD Single : A 120 HIS : no HD1:sc= -1.1 X(o=-1.1,f=-1.4) USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 128 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 131 ASN : amide:sc= 0.357 K(o=0.36,f=-8.5!) USER MOD Single : A 134 SER OG : rot -26:sc= 1.2 USER MOD Single : A 135 THR OG1 : rot 75:sc= 0.491 USER MOD Single : A 136 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 137 THR OG1 : rot 168:sc= 1.28 USER MOD Single : A 139 ASN : amide:sc= -0.189 K(o=-0.19,f=-2.7!) USER MOD Single : A 142 SER OG : rot -30:sc= -0.4 USER MOD Single : A 153 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 8.579 -14.705 -0.928 1.00 0.00 N ATOM 2 CA ALA A 1 7.369 -14.873 -0.126 1.00 0.00 C ATOM 3 C ALA A 1 6.237 -15.210 -1.060 1.00 0.00 C ATOM 4 O ALA A 1 6.345 -14.955 -2.252 1.00 0.00 O ATOM 5 CB ALA A 1 7.061 -13.597 0.642 1.00 0.00 C ATOM 0 H1 ALA A 1 9.407 -14.657 -0.301 1.00 0.00 H new ATOM 0 H2 ALA A 1 8.681 -15.513 -1.575 1.00 0.00 H new ATOM 0 H3 ALA A 1 8.511 -13.826 -1.479 1.00 0.00 H new ATOM 0 HA ALA A 1 7.507 -15.673 0.601 1.00 0.00 H new ATOM 0 HB1 ALA A 1 6.157 -13.738 1.234 1.00 0.00 H new ATOM 0 HB2 ALA A 1 7.895 -13.360 1.303 1.00 0.00 H new ATOM 0 HB3 ALA A 1 6.910 -12.777 -0.060 1.00 0.00 H new ATOM 13 N THR A 2 5.186 -15.811 -0.549 1.00 0.00 N ATOM 14 CA THR A 2 4.054 -16.184 -1.372 1.00 0.00 C ATOM 15 C THR A 2 2.726 -15.539 -0.883 1.00 0.00 C ATOM 16 O THR A 2 1.863 -15.154 -1.699 1.00 0.00 O ATOM 17 CB THR A 2 3.928 -17.725 -1.414 1.00 0.00 C ATOM 18 OG1 THR A 2 5.208 -18.278 -1.777 1.00 0.00 O ATOM 19 CG2 THR A 2 2.890 -18.170 -2.443 1.00 0.00 C ATOM 0 H THR A 2 5.090 -16.053 0.437 1.00 0.00 H new ATOM 0 HA THR A 2 4.235 -15.803 -2.377 1.00 0.00 H new ATOM 0 HB THR A 2 3.611 -18.076 -0.432 1.00 0.00 H new ATOM 0 HG1 THR A 2 5.146 -19.256 -1.806 1.00 0.00 H new ATOM 0 HG21 THR A 2 2.826 -19.258 -2.448 1.00 0.00 H new ATOM 0 HG22 THR A 2 1.918 -17.750 -2.184 1.00 0.00 H new ATOM 0 HG23 THR A 2 3.185 -17.820 -3.432 1.00 0.00 H new ATOM 27 N LYS A 3 2.564 -15.425 0.416 1.00 0.00 N ATOM 28 CA LYS A 3 1.337 -14.927 0.944 1.00 0.00 C ATOM 29 C LYS A 3 1.592 -13.950 2.035 1.00 0.00 C ATOM 30 O LYS A 3 2.536 -14.092 2.802 1.00 0.00 O ATOM 31 CB LYS A 3 0.414 -16.047 1.461 1.00 0.00 C ATOM 32 CG LYS A 3 1.021 -16.928 2.560 1.00 0.00 C ATOM 33 CD LYS A 3 -0.049 -17.735 3.293 1.00 0.00 C ATOM 34 CE LYS A 3 -0.845 -18.632 2.359 1.00 0.00 C ATOM 35 NZ LYS A 3 -1.921 -19.343 3.077 1.00 0.00 N ATOM 0 H LYS A 3 3.267 -15.671 1.113 1.00 0.00 H new ATOM 0 HA LYS A 3 0.826 -14.432 0.118 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -0.502 -15.596 1.842 1.00 0.00 H new ATOM 0 HB3 LYS A 3 0.132 -16.682 0.621 1.00 0.00 H new ATOM 0 HG2 LYS A 3 1.751 -17.607 2.120 1.00 0.00 H new ATOM 0 HG3 LYS A 3 1.557 -16.302 3.273 1.00 0.00 H new ATOM 0 HD2 LYS A 3 0.424 -18.346 4.062 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -0.729 -17.052 3.802 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -1.276 -18.033 1.557 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -0.178 -19.356 1.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -2.444 -19.946 2.410 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -1.507 -19.934 3.826 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -2.571 -18.651 3.501 1.00 0.00 H new ATOM 49 N ALA A 4 0.766 -12.971 2.088 1.00 0.00 N ATOM 50 CA ALA A 4 0.836 -11.966 3.083 1.00 0.00 C ATOM 51 C ALA A 4 -0.559 -11.716 3.582 1.00 0.00 C ATOM 52 O ALA A 4 -1.522 -11.933 2.839 1.00 0.00 O ATOM 53 CB ALA A 4 1.438 -10.716 2.490 1.00 0.00 C ATOM 0 H ALA A 4 0.003 -12.843 1.424 1.00 0.00 H new ATOM 0 HA ALA A 4 1.467 -12.277 3.916 1.00 0.00 H new ATOM 0 HB1 ALA A 4 1.493 -9.941 3.254 1.00 0.00 H new ATOM 0 HB2 ALA A 4 2.440 -10.934 2.122 1.00 0.00 H new ATOM 0 HB3 ALA A 4 0.816 -10.369 1.665 1.00 0.00 H new ATOM 59 N VAL A 5 -0.701 -11.297 4.804 1.00 0.00 N ATOM 60 CA VAL A 5 -2.011 -11.077 5.338 1.00 0.00 C ATOM 61 C VAL A 5 -2.216 -9.624 5.655 1.00 0.00 C ATOM 62 O VAL A 5 -1.304 -8.931 6.110 1.00 0.00 O ATOM 63 CB VAL A 5 -2.356 -11.975 6.566 1.00 0.00 C ATOM 64 CG1 VAL A 5 -2.264 -13.452 6.204 1.00 0.00 C ATOM 65 CG2 VAL A 5 -1.478 -11.660 7.765 1.00 0.00 C ATOM 0 H VAL A 5 0.068 -11.102 5.445 1.00 0.00 H new ATOM 0 HA VAL A 5 -2.708 -11.376 4.555 1.00 0.00 H new ATOM 0 HB VAL A 5 -3.385 -11.752 6.848 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -2.509 -14.057 7.077 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -2.966 -13.674 5.400 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -1.251 -13.684 5.875 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -1.752 -12.308 8.597 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -0.433 -11.827 7.504 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -1.618 -10.619 8.055 1.00 0.00 H new ATOM 75 N ALA A 6 -3.368 -9.160 5.331 1.00 0.00 N ATOM 76 CA ALA A 6 -3.740 -7.801 5.592 1.00 0.00 C ATOM 77 C ALA A 6 -4.817 -7.714 6.664 1.00 0.00 C ATOM 78 O ALA A 6 -5.786 -8.479 6.642 1.00 0.00 O ATOM 79 CB ALA A 6 -4.233 -7.168 4.324 1.00 0.00 C ATOM 0 H ALA A 6 -4.093 -9.712 4.872 1.00 0.00 H new ATOM 0 HA ALA A 6 -2.861 -7.270 5.957 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -4.517 -6.134 4.520 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -3.442 -7.191 3.574 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -5.099 -7.718 3.955 1.00 0.00 H new ATOM 85 N VAL A 7 -4.626 -6.811 7.611 1.00 0.00 N ATOM 86 CA VAL A 7 -5.597 -6.547 8.660 1.00 0.00 C ATOM 87 C VAL A 7 -5.778 -5.037 8.843 1.00 0.00 C ATOM 88 O VAL A 7 -4.899 -4.351 9.366 1.00 0.00 O ATOM 89 CB VAL A 7 -5.242 -7.252 10.019 1.00 0.00 C ATOM 90 CG1 VAL A 7 -5.471 -8.750 9.916 1.00 0.00 C ATOM 91 CG2 VAL A 7 -3.792 -6.989 10.425 1.00 0.00 C ATOM 0 H VAL A 7 -3.786 -6.236 7.674 1.00 0.00 H new ATOM 0 HA VAL A 7 -6.544 -6.981 8.339 1.00 0.00 H new ATOM 0 HB VAL A 7 -5.897 -6.833 10.783 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -5.220 -9.223 10.866 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -6.518 -8.943 9.680 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -4.840 -9.161 9.128 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -3.582 -7.492 11.369 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -3.123 -7.371 9.654 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -3.636 -5.917 10.542 1.00 0.00 H new ATOM 101 N LEU A 8 -6.876 -4.524 8.348 1.00 0.00 N ATOM 102 CA LEU A 8 -7.165 -3.092 8.431 1.00 0.00 C ATOM 103 C LEU A 8 -8.075 -2.768 9.612 1.00 0.00 C ATOM 104 O LEU A 8 -8.844 -3.625 10.068 1.00 0.00 O ATOM 105 CB LEU A 8 -7.799 -2.550 7.124 1.00 0.00 C ATOM 106 CG LEU A 8 -6.938 -2.522 5.837 1.00 0.00 C ATOM 107 CD1 LEU A 8 -5.624 -1.813 6.073 1.00 0.00 C ATOM 108 CD2 LEU A 8 -6.713 -3.912 5.257 1.00 0.00 C ATOM 0 H LEU A 8 -7.597 -5.071 7.878 1.00 0.00 H new ATOM 0 HA LEU A 8 -6.205 -2.597 8.580 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -8.687 -3.147 6.915 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -8.137 -1.532 7.318 1.00 0.00 H new ATOM 0 HG LEU A 8 -7.502 -1.957 5.095 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -5.042 -1.810 5.152 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -5.815 -0.786 6.385 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -5.066 -2.331 6.853 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -6.104 -3.836 4.356 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -6.200 -4.534 5.991 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -7.674 -4.362 5.008 1.00 0.00 H new ATOM 120 N LYS A 9 -7.933 -1.568 10.128 1.00 0.00 N ATOM 121 CA LYS A 9 -8.761 -1.020 11.186 1.00 0.00 C ATOM 122 C LYS A 9 -8.783 0.498 10.964 1.00 0.00 C ATOM 123 O LYS A 9 -7.743 1.092 10.626 1.00 0.00 O ATOM 124 CB LYS A 9 -8.147 -1.387 12.578 1.00 0.00 C ATOM 125 CG LYS A 9 -9.012 -1.089 13.825 1.00 0.00 C ATOM 126 CD LYS A 9 -9.227 0.400 14.070 1.00 0.00 C ATOM 127 CE LYS A 9 -10.151 0.644 15.231 1.00 0.00 C ATOM 128 NZ LYS A 9 -10.538 2.073 15.351 1.00 0.00 N ATOM 0 H LYS A 9 -7.211 -0.920 9.812 1.00 0.00 H new ATOM 0 HA LYS A 9 -9.774 -1.423 11.169 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -7.912 -2.451 12.575 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -7.203 -0.852 12.684 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -9.981 -1.575 13.710 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -8.537 -1.529 14.702 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -8.267 0.880 14.262 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -9.640 0.861 13.173 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -11.048 0.035 15.113 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -9.666 0.322 16.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -11.215 2.185 16.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -9.692 2.647 15.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -10.979 2.389 14.464 1.00 0.00 H new ATOM 142 N GLY A 10 -9.926 1.109 11.104 1.00 0.00 N ATOM 143 CA GLY A 10 -9.998 2.514 10.889 1.00 0.00 C ATOM 144 C GLY A 10 -11.098 3.170 11.665 1.00 0.00 C ATOM 145 O GLY A 10 -11.692 2.567 12.566 1.00 0.00 O ATOM 0 H GLY A 10 -10.804 0.659 11.362 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -9.046 2.967 11.165 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -10.146 2.706 9.826 1.00 0.00 H new ATOM 149 N ASP A 11 -11.322 4.422 11.320 1.00 0.00 N ATOM 150 CA ASP A 11 -12.374 5.236 11.906 1.00 0.00 C ATOM 151 C ASP A 11 -13.674 4.999 11.153 1.00 0.00 C ATOM 152 O ASP A 11 -14.765 5.065 11.714 1.00 0.00 O ATOM 153 CB ASP A 11 -11.968 6.711 11.849 1.00 0.00 C ATOM 154 CG ASP A 11 -13.009 7.645 12.407 1.00 0.00 C ATOM 155 OD1 ASP A 11 -13.149 7.731 13.657 1.00 0.00 O ATOM 156 OD2 ASP A 11 -13.655 8.354 11.623 1.00 0.00 O ATOM 0 H ASP A 11 -10.772 4.912 10.615 1.00 0.00 H new ATOM 0 HA ASP A 11 -12.524 4.960 12.950 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -11.038 6.845 12.402 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -11.765 6.984 10.813 1.00 0.00 H new ATOM 161 N GLY A 12 -13.532 4.711 9.883 1.00 0.00 N ATOM 162 CA GLY A 12 -14.650 4.341 9.063 1.00 0.00 C ATOM 163 C GLY A 12 -14.515 2.877 8.744 1.00 0.00 C ATOM 164 O GLY A 12 -13.636 2.221 9.324 1.00 0.00 O ATOM 0 H GLY A 12 -12.638 4.727 9.393 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -15.588 4.535 9.584 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -14.666 4.933 8.148 1.00 0.00 H new ATOM 168 N PRO A 13 -15.333 2.292 7.875 1.00 0.00 N ATOM 169 CA PRO A 13 -15.158 0.896 7.545 1.00 0.00 C ATOM 170 C PRO A 13 -14.098 0.716 6.455 1.00 0.00 C ATOM 171 O PRO A 13 -14.176 1.317 5.374 1.00 0.00 O ATOM 172 CB PRO A 13 -16.542 0.476 7.009 1.00 0.00 C ATOM 173 CG PRO A 13 -17.398 1.720 7.029 1.00 0.00 C ATOM 174 CD PRO A 13 -16.466 2.889 7.191 1.00 0.00 C ATOM 0 HA PRO A 13 -14.824 0.305 8.398 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -16.463 0.075 5.999 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -16.978 -0.307 7.630 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -17.972 1.809 6.107 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -18.116 1.682 7.849 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -16.181 3.317 6.230 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -16.917 3.690 7.776 1.00 0.00 H new ATOM 182 N VAL A 14 -13.107 -0.062 6.779 1.00 0.00 N ATOM 183 CA VAL A 14 -12.069 -0.455 5.898 1.00 0.00 C ATOM 184 C VAL A 14 -11.816 -1.960 6.082 1.00 0.00 C ATOM 185 O VAL A 14 -11.088 -2.380 6.990 1.00 0.00 O ATOM 186 CB VAL A 14 -10.780 0.435 6.053 1.00 0.00 C ATOM 187 CG1 VAL A 14 -10.264 0.495 7.489 1.00 0.00 C ATOM 188 CG2 VAL A 14 -9.688 -0.009 5.098 1.00 0.00 C ATOM 0 H VAL A 14 -13.004 -0.455 7.715 1.00 0.00 H new ATOM 0 HA VAL A 14 -12.377 -0.288 4.866 1.00 0.00 H new ATOM 0 HB VAL A 14 -11.076 1.450 5.790 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -9.374 1.123 7.530 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -11.035 0.915 8.135 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -10.014 -0.510 7.828 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -8.811 0.625 5.229 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -9.422 -1.045 5.306 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -10.046 0.074 4.072 1.00 0.00 H new ATOM 198 N GLN A 15 -12.469 -2.770 5.316 1.00 0.00 N ATOM 199 CA GLN A 15 -12.304 -4.209 5.476 1.00 0.00 C ATOM 200 C GLN A 15 -11.597 -4.749 4.281 1.00 0.00 C ATOM 201 O GLN A 15 -12.114 -4.647 3.196 1.00 0.00 O ATOM 202 CB GLN A 15 -13.661 -4.894 5.632 1.00 0.00 C ATOM 203 CG GLN A 15 -14.413 -4.531 6.896 1.00 0.00 C ATOM 204 CD GLN A 15 -13.708 -5.013 8.137 1.00 0.00 C ATOM 205 OE1 GLN A 15 -12.887 -4.310 8.717 1.00 0.00 O ATOM 206 NE2 GLN A 15 -13.996 -6.220 8.532 1.00 0.00 N ATOM 0 H GLN A 15 -13.115 -2.484 4.580 1.00 0.00 H new ATOM 0 HA GLN A 15 -11.719 -4.405 6.375 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -14.281 -4.642 4.772 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -13.512 -5.974 5.612 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -14.534 -3.449 6.946 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -15.413 -4.962 6.858 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -14.685 -6.773 8.022 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -13.533 -6.613 9.351 1.00 0.00 H new ATOM 215 N GLY A 16 -10.439 -5.336 4.471 1.00 0.00 N ATOM 216 CA GLY A 16 -9.682 -5.780 3.372 1.00 0.00 C ATOM 217 C GLY A 16 -8.723 -6.866 3.735 1.00 0.00 C ATOM 218 O GLY A 16 -8.222 -6.905 4.858 1.00 0.00 O ATOM 0 H GLY A 16 -10.018 -5.508 5.384 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -10.355 -6.140 2.594 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -9.130 -4.939 2.952 1.00 0.00 H new ATOM 222 N ILE A 17 -8.480 -7.738 2.793 1.00 0.00 N ATOM 223 CA ILE A 17 -7.550 -8.834 2.929 1.00 0.00 C ATOM 224 C ILE A 17 -6.723 -8.902 1.654 1.00 0.00 C ATOM 225 O ILE A 17 -7.207 -9.325 0.612 1.00 0.00 O ATOM 226 CB ILE A 17 -8.262 -10.201 3.220 1.00 0.00 C ATOM 227 CG1 ILE A 17 -9.454 -10.442 2.253 1.00 0.00 C ATOM 228 CG2 ILE A 17 -8.705 -10.282 4.679 1.00 0.00 C ATOM 229 CD1 ILE A 17 -10.157 -11.772 2.440 1.00 0.00 C ATOM 0 H ILE A 17 -8.936 -7.707 1.881 1.00 0.00 H new ATOM 0 HA ILE A 17 -6.909 -8.652 3.792 1.00 0.00 H new ATOM 0 HB ILE A 17 -7.538 -10.997 3.043 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -10.180 -9.640 2.385 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -9.092 -10.378 1.227 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -9.196 -11.239 4.858 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -7.834 -10.194 5.329 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -9.401 -9.471 4.893 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -10.975 -11.855 1.724 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -9.448 -12.584 2.277 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -10.554 -11.834 3.453 1.00 0.00 H new ATOM 241 N ILE A 18 -5.502 -8.442 1.723 1.00 0.00 N ATOM 242 CA ILE A 18 -4.667 -8.315 0.553 1.00 0.00 C ATOM 243 C ILE A 18 -3.479 -9.242 0.734 1.00 0.00 C ATOM 244 O ILE A 18 -2.848 -9.222 1.794 1.00 0.00 O ATOM 245 CB ILE A 18 -4.143 -6.824 0.340 1.00 0.00 C ATOM 246 CG1 ILE A 18 -5.275 -5.762 0.169 1.00 0.00 C ATOM 247 CG2 ILE A 18 -3.193 -6.749 -0.856 1.00 0.00 C ATOM 248 CD1 ILE A 18 -6.044 -5.402 1.427 1.00 0.00 C ATOM 0 H ILE A 18 -5.056 -8.144 2.591 1.00 0.00 H new ATOM 0 HA ILE A 18 -5.255 -8.576 -0.327 1.00 0.00 H new ATOM 0 HB ILE A 18 -3.617 -6.574 1.262 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -4.834 -4.852 -0.236 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -5.983 -6.131 -0.573 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -2.848 -5.723 -0.983 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -2.337 -7.401 -0.682 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -3.716 -7.070 -1.757 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -6.803 -4.657 1.189 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -6.524 -6.295 1.828 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -5.357 -4.995 2.169 1.00 0.00 H new ATOM 260 N ASN A 19 -3.186 -10.073 -0.242 1.00 0.00 N ATOM 261 CA ASN A 19 -2.060 -10.965 -0.102 1.00 0.00 C ATOM 262 C ASN A 19 -1.081 -10.632 -1.140 1.00 0.00 C ATOM 263 O ASN A 19 -1.465 -10.319 -2.265 1.00 0.00 O ATOM 264 CB ASN A 19 -2.447 -12.476 -0.181 1.00 0.00 C ATOM 265 CG ASN A 19 -2.739 -13.010 -1.586 1.00 0.00 C ATOM 266 OD1 ASN A 19 -1.840 -13.513 -2.278 1.00 0.00 O ATOM 267 ND2 ASN A 19 -3.972 -12.911 -2.012 1.00 0.00 N ATOM 0 H ASN A 19 -3.699 -10.149 -1.121 1.00 0.00 H new ATOM 0 HA ASN A 19 -1.641 -10.823 0.894 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -1.637 -13.063 0.251 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -3.327 -12.641 0.441 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -4.220 -13.253 -2.940 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -4.685 -12.492 -1.416 1.00 0.00 H new ATOM 274 N PHE A 20 0.164 -10.635 -0.785 1.00 0.00 N ATOM 275 CA PHE A 20 1.163 -10.363 -1.745 1.00 0.00 C ATOM 276 C PHE A 20 2.299 -11.318 -1.584 1.00 0.00 C ATOM 277 O PHE A 20 2.466 -11.938 -0.531 1.00 0.00 O ATOM 278 CB PHE A 20 1.653 -8.893 -1.692 1.00 0.00 C ATOM 279 CG PHE A 20 2.482 -8.503 -0.486 1.00 0.00 C ATOM 280 CD1 PHE A 20 3.837 -8.833 -0.414 1.00 0.00 C ATOM 281 CD2 PHE A 20 1.926 -7.790 0.551 1.00 0.00 C ATOM 282 CE1 PHE A 20 4.601 -8.468 0.657 1.00 0.00 C ATOM 283 CE2 PHE A 20 2.694 -7.424 1.632 1.00 0.00 C ATOM 284 CZ PHE A 20 4.038 -7.768 1.679 1.00 0.00 C ATOM 0 H PHE A 20 0.503 -10.822 0.158 1.00 0.00 H new ATOM 0 HA PHE A 20 0.720 -10.502 -2.731 1.00 0.00 H new ATOM 0 HB2 PHE A 20 2.241 -8.696 -2.589 1.00 0.00 H new ATOM 0 HB3 PHE A 20 0.781 -8.240 -1.733 1.00 0.00 H new ATOM 0 HD1 PHE A 20 4.290 -9.388 -1.222 1.00 0.00 H new ATOM 0 HD2 PHE A 20 0.882 -7.516 0.516 1.00 0.00 H new ATOM 0 HE1 PHE A 20 5.647 -8.734 0.693 1.00 0.00 H new ATOM 0 HE2 PHE A 20 2.251 -6.868 2.445 1.00 0.00 H new ATOM 0 HZ PHE A 20 4.638 -7.479 2.529 1.00 0.00 H new ATOM 294 N GLU A 21 3.064 -11.422 -2.602 1.00 0.00 N ATOM 295 CA GLU A 21 4.217 -12.229 -2.604 1.00 0.00 C ATOM 296 C GLU A 21 5.410 -11.396 -3.045 1.00 0.00 C ATOM 297 O GLU A 21 5.537 -11.029 -4.206 1.00 0.00 O ATOM 298 CB GLU A 21 4.008 -13.451 -3.497 1.00 0.00 C ATOM 299 CG GLU A 21 3.620 -13.161 -4.928 1.00 0.00 C ATOM 300 CD GLU A 21 3.533 -14.405 -5.756 1.00 0.00 C ATOM 301 OE1 GLU A 21 2.861 -15.362 -5.329 1.00 0.00 O ATOM 302 OE2 GLU A 21 4.070 -14.426 -6.886 1.00 0.00 O ATOM 0 H GLU A 21 2.899 -10.933 -3.482 1.00 0.00 H new ATOM 0 HA GLU A 21 4.414 -12.599 -1.598 1.00 0.00 H new ATOM 0 HB2 GLU A 21 4.928 -14.036 -3.501 1.00 0.00 H new ATOM 0 HB3 GLU A 21 3.235 -14.076 -3.050 1.00 0.00 H new ATOM 0 HG2 GLU A 21 2.658 -12.648 -4.945 1.00 0.00 H new ATOM 0 HG3 GLU A 21 4.350 -12.483 -5.370 1.00 0.00 H new ATOM 309 N GLN A 22 6.246 -11.033 -2.122 1.00 0.00 N ATOM 310 CA GLN A 22 7.363 -10.273 -2.486 1.00 0.00 C ATOM 311 C GLN A 22 8.415 -11.233 -2.906 1.00 0.00 C ATOM 312 O GLN A 22 8.604 -12.295 -2.279 1.00 0.00 O ATOM 313 CB GLN A 22 7.805 -9.318 -1.342 1.00 0.00 C ATOM 314 CG GLN A 22 8.402 -9.948 -0.086 1.00 0.00 C ATOM 315 CD GLN A 22 9.923 -10.116 -0.141 1.00 0.00 C ATOM 316 OE1 GLN A 22 10.537 -10.065 0.981 1.00 0.00 O flip ATOM 317 NE2 GLN A 22 10.533 -10.277 -1.191 1.00 0.00 N flip ATOM 0 H GLN A 22 6.164 -11.255 -1.130 1.00 0.00 H new ATOM 0 HA GLN A 22 7.137 -9.604 -3.316 1.00 0.00 H new ATOM 0 HB2 GLN A 22 8.538 -8.622 -1.750 1.00 0.00 H new ATOM 0 HB3 GLN A 22 6.938 -8.729 -1.043 1.00 0.00 H new ATOM 0 HG2 GLN A 22 8.145 -9.332 0.775 1.00 0.00 H new ATOM 0 HG3 GLN A 22 7.944 -10.924 0.072 1.00 0.00 H new ATOM 0 HE21 GLN A 22 10.026 -10.315 -2.075 1.00 0.00 H new ATOM 0 HE22 GLN A 22 11.548 -10.373 -1.181 1.00 0.00 H new ATOM 326 N LYS A 23 9.012 -10.938 -3.992 1.00 0.00 N ATOM 327 CA LYS A 23 10.024 -11.749 -4.534 1.00 0.00 C ATOM 328 C LYS A 23 11.264 -10.943 -4.689 1.00 0.00 C ATOM 329 O LYS A 23 11.297 -9.973 -5.429 1.00 0.00 O ATOM 330 CB LYS A 23 9.553 -12.387 -5.846 1.00 0.00 C ATOM 331 CG LYS A 23 8.543 -13.497 -5.608 1.00 0.00 C ATOM 332 CD LYS A 23 7.935 -14.029 -6.885 1.00 0.00 C ATOM 333 CE LYS A 23 7.137 -15.292 -6.601 1.00 0.00 C ATOM 334 NZ LYS A 23 6.335 -15.707 -7.752 1.00 0.00 N ATOM 0 H LYS A 23 8.805 -10.105 -4.543 1.00 0.00 H new ATOM 0 HA LYS A 23 10.251 -12.574 -3.859 1.00 0.00 H new ATOM 0 HB2 LYS A 23 9.108 -11.622 -6.482 1.00 0.00 H new ATOM 0 HB3 LYS A 23 10.412 -12.788 -6.383 1.00 0.00 H new ATOM 0 HG2 LYS A 23 9.029 -14.315 -5.076 1.00 0.00 H new ATOM 0 HG3 LYS A 23 7.748 -13.124 -4.962 1.00 0.00 H new ATOM 0 HD2 LYS A 23 7.288 -13.274 -7.330 1.00 0.00 H new ATOM 0 HD3 LYS A 23 8.721 -14.242 -7.609 1.00 0.00 H new ATOM 0 HE2 LYS A 23 7.819 -16.097 -6.326 1.00 0.00 H new ATOM 0 HE3 LYS A 23 6.483 -15.122 -5.746 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 6.408 -16.737 -7.873 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 5.341 -15.446 -7.594 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 6.685 -15.233 -8.609 1.00 0.00 H new ATOM 348 N GLU A 24 12.271 -11.344 -3.974 1.00 0.00 N ATOM 349 CA GLU A 24 13.543 -10.659 -3.941 1.00 0.00 C ATOM 350 C GLU A 24 14.352 -10.947 -5.201 1.00 0.00 C ATOM 351 O GLU A 24 15.370 -10.325 -5.462 1.00 0.00 O ATOM 352 CB GLU A 24 14.282 -11.017 -2.650 1.00 0.00 C ATOM 353 CG GLU A 24 14.407 -12.510 -2.399 1.00 0.00 C ATOM 354 CD GLU A 24 14.671 -12.817 -0.954 1.00 0.00 C ATOM 355 OE1 GLU A 24 13.727 -12.735 -0.149 1.00 0.00 O ATOM 356 OE2 GLU A 24 15.816 -13.134 -0.593 1.00 0.00 O ATOM 0 H GLU A 24 12.238 -12.174 -3.382 1.00 0.00 H new ATOM 0 HA GLU A 24 13.383 -9.581 -3.935 1.00 0.00 H new ATOM 0 HB2 GLU A 24 15.280 -10.580 -2.683 1.00 0.00 H new ATOM 0 HB3 GLU A 24 13.762 -10.560 -1.808 1.00 0.00 H new ATOM 0 HG2 GLU A 24 13.490 -13.009 -2.714 1.00 0.00 H new ATOM 0 HG3 GLU A 24 15.215 -12.914 -3.009 1.00 0.00 H new ATOM 363 N SER A 25 13.895 -11.908 -5.963 1.00 0.00 N ATOM 364 CA SER A 25 14.459 -12.169 -7.259 1.00 0.00 C ATOM 365 C SER A 25 13.694 -11.339 -8.316 1.00 0.00 C ATOM 366 O SER A 25 14.111 -11.243 -9.474 1.00 0.00 O ATOM 367 CB SER A 25 14.377 -13.659 -7.558 1.00 0.00 C ATOM 368 OG SER A 25 14.977 -14.405 -6.505 1.00 0.00 O ATOM 0 H SER A 25 13.127 -12.527 -5.703 1.00 0.00 H new ATOM 0 HA SER A 25 15.509 -11.878 -7.283 1.00 0.00 H new ATOM 0 HB2 SER A 25 13.335 -13.957 -7.677 1.00 0.00 H new ATOM 0 HB3 SER A 25 14.880 -13.877 -8.500 1.00 0.00 H new ATOM 0 HG SER A 25 14.917 -15.362 -6.707 1.00 0.00 H new ATOM 374 N ASN A 26 12.580 -10.728 -7.864 1.00 0.00 N ATOM 375 CA ASN A 26 11.648 -9.921 -8.680 1.00 0.00 C ATOM 376 C ASN A 26 10.848 -10.759 -9.649 1.00 0.00 C ATOM 377 O ASN A 26 11.377 -11.655 -10.313 1.00 0.00 O ATOM 378 CB ASN A 26 12.313 -8.719 -9.383 1.00 0.00 C ATOM 379 CG ASN A 26 12.698 -7.609 -8.417 1.00 0.00 C ATOM 380 OD1 ASN A 26 12.062 -7.421 -7.375 1.00 0.00 O ATOM 381 ND2 ASN A 26 13.714 -6.851 -8.758 1.00 0.00 N ATOM 0 H ASN A 26 12.294 -10.784 -6.887 1.00 0.00 H new ATOM 0 HA ASN A 26 10.947 -9.497 -7.961 1.00 0.00 H new ATOM 0 HB2 ASN A 26 13.204 -9.060 -9.911 1.00 0.00 H new ATOM 0 HB3 ASN A 26 11.631 -8.320 -10.134 1.00 0.00 H new ATOM 0 HD21 ASN A 26 14.000 -6.079 -8.155 1.00 0.00 H new ATOM 0 HD22 ASN A 26 14.218 -7.034 -9.626 1.00 0.00 H new ATOM 388 N GLY A 27 9.580 -10.486 -9.732 1.00 0.00 N ATOM 389 CA GLY A 27 8.722 -11.256 -10.613 1.00 0.00 C ATOM 390 C GLY A 27 7.352 -10.680 -10.675 1.00 0.00 C ATOM 391 O GLY A 27 7.071 -9.706 -9.962 1.00 0.00 O ATOM 0 H GLY A 27 9.111 -9.746 -9.210 1.00 0.00 H new ATOM 0 HA2 GLY A 27 9.154 -11.281 -11.614 1.00 0.00 H new ATOM 0 HA3 GLY A 27 8.670 -12.287 -10.263 1.00 0.00 H new ATOM 395 N PRO A 28 6.479 -11.180 -11.557 1.00 0.00 N ATOM 396 CA PRO A 28 5.091 -10.780 -11.552 1.00 0.00 C ATOM 397 C PRO A 28 4.525 -11.273 -10.248 1.00 0.00 C ATOM 398 O PRO A 28 4.627 -12.457 -9.935 1.00 0.00 O ATOM 399 CB PRO A 28 4.474 -11.548 -12.737 1.00 0.00 C ATOM 400 CG PRO A 28 5.639 -11.950 -13.575 1.00 0.00 C ATOM 401 CD PRO A 28 6.773 -12.157 -12.619 1.00 0.00 C ATOM 0 HA PRO A 28 4.912 -9.709 -11.644 1.00 0.00 H new ATOM 0 HB2 PRO A 28 3.913 -12.418 -12.396 1.00 0.00 H new ATOM 0 HB3 PRO A 28 3.781 -10.921 -13.297 1.00 0.00 H new ATOM 0 HG2 PRO A 28 5.425 -12.862 -14.132 1.00 0.00 H new ATOM 0 HG3 PRO A 28 5.880 -11.179 -14.307 1.00 0.00 H new ATOM 0 HD2 PRO A 28 6.799 -13.177 -12.236 1.00 0.00 H new ATOM 0 HD3 PRO A 28 7.739 -11.968 -13.088 1.00 0.00 H new ATOM 409 N VAL A 29 3.984 -10.398 -9.481 1.00 0.00 N ATOM 410 CA VAL A 29 3.567 -10.764 -8.170 1.00 0.00 C ATOM 411 C VAL A 29 2.109 -11.139 -8.122 1.00 0.00 C ATOM 412 O VAL A 29 1.248 -10.415 -8.588 1.00 0.00 O ATOM 413 CB VAL A 29 3.914 -9.674 -7.119 1.00 0.00 C ATOM 414 CG1 VAL A 29 5.425 -9.474 -7.054 1.00 0.00 C ATOM 415 CG2 VAL A 29 3.233 -8.354 -7.442 1.00 0.00 C ATOM 0 H VAL A 29 3.818 -9.424 -9.734 1.00 0.00 H new ATOM 0 HA VAL A 29 4.134 -11.656 -7.903 1.00 0.00 H new ATOM 0 HB VAL A 29 3.549 -10.015 -6.150 1.00 0.00 H new ATOM 0 HG11 VAL A 29 5.659 -8.708 -6.315 1.00 0.00 H new ATOM 0 HG12 VAL A 29 5.904 -10.411 -6.770 1.00 0.00 H new ATOM 0 HG13 VAL A 29 5.793 -9.160 -8.031 1.00 0.00 H new ATOM 0 HG21 VAL A 29 3.497 -7.614 -6.687 1.00 0.00 H new ATOM 0 HG22 VAL A 29 3.560 -8.006 -8.422 1.00 0.00 H new ATOM 0 HG23 VAL A 29 2.152 -8.495 -7.450 1.00 0.00 H new ATOM 425 N LYS A 30 1.855 -12.281 -7.587 1.00 0.00 N ATOM 426 CA LYS A 30 0.521 -12.766 -7.418 1.00 0.00 C ATOM 427 C LYS A 30 -0.040 -12.136 -6.159 1.00 0.00 C ATOM 428 O LYS A 30 0.346 -12.508 -5.037 1.00 0.00 O ATOM 429 CB LYS A 30 0.556 -14.270 -7.238 1.00 0.00 C ATOM 430 CG LYS A 30 -0.798 -14.920 -7.005 1.00 0.00 C ATOM 431 CD LYS A 30 -0.666 -16.239 -6.228 1.00 0.00 C ATOM 432 CE LYS A 30 -0.613 -16.039 -4.682 1.00 0.00 C ATOM 433 NZ LYS A 30 0.482 -15.141 -4.204 1.00 0.00 N ATOM 0 H LYS A 30 2.576 -12.918 -7.248 1.00 0.00 H new ATOM 0 HA LYS A 30 -0.091 -12.518 -8.285 1.00 0.00 H new ATOM 0 HB2 LYS A 30 1.009 -14.716 -8.123 1.00 0.00 H new ATOM 0 HB3 LYS A 30 1.205 -14.505 -6.395 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -1.441 -14.235 -6.453 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -1.282 -15.109 -7.964 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -1.508 -16.885 -6.476 1.00 0.00 H new ATOM 0 HD3 LYS A 30 0.238 -16.755 -6.552 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -1.568 -15.633 -4.349 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -0.498 -17.013 -4.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 0.506 -15.146 -3.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 1.394 -15.479 -4.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 0.309 -14.173 -4.542 1.00 0.00 H new ATOM 447 N VAL A 31 -0.890 -11.179 -6.333 1.00 0.00 N ATOM 448 CA VAL A 31 -1.464 -10.449 -5.258 1.00 0.00 C ATOM 449 C VAL A 31 -2.945 -10.386 -5.505 1.00 0.00 C ATOM 450 O VAL A 31 -3.376 -10.421 -6.667 1.00 0.00 O ATOM 451 CB VAL A 31 -0.896 -8.970 -5.152 1.00 0.00 C ATOM 452 CG1 VAL A 31 0.616 -8.942 -5.084 1.00 0.00 C ATOM 453 CG2 VAL A 31 -1.378 -8.073 -6.283 1.00 0.00 C ATOM 0 H VAL A 31 -1.211 -10.877 -7.253 1.00 0.00 H new ATOM 0 HA VAL A 31 -1.219 -10.952 -4.323 1.00 0.00 H new ATOM 0 HB VAL A 31 -1.293 -8.575 -4.217 1.00 0.00 H new ATOM 0 HG11 VAL A 31 0.958 -7.909 -5.012 1.00 0.00 H new ATOM 0 HG12 VAL A 31 0.951 -9.497 -4.208 1.00 0.00 H new ATOM 0 HG13 VAL A 31 1.029 -9.400 -5.983 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -0.959 -7.075 -6.159 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -1.055 -8.487 -7.238 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -2.466 -8.015 -6.262 1.00 0.00 H new ATOM 463 N TRP A 32 -3.697 -10.375 -4.482 1.00 0.00 N ATOM 464 CA TRP A 32 -5.101 -10.196 -4.612 1.00 0.00 C ATOM 465 C TRP A 32 -5.623 -9.721 -3.304 1.00 0.00 C ATOM 466 O TRP A 32 -5.180 -10.189 -2.247 1.00 0.00 O ATOM 467 CB TRP A 32 -5.815 -11.473 -5.066 1.00 0.00 C ATOM 468 CG TRP A 32 -7.209 -11.202 -5.523 1.00 0.00 C ATOM 469 CD1 TRP A 32 -7.572 -10.491 -6.631 1.00 0.00 C ATOM 470 CD2 TRP A 32 -8.424 -11.627 -4.901 1.00 0.00 C ATOM 471 NE1 TRP A 32 -8.935 -10.437 -6.731 1.00 0.00 N ATOM 472 CE2 TRP A 32 -9.486 -11.129 -5.682 1.00 0.00 C ATOM 473 CE3 TRP A 32 -8.718 -12.376 -3.761 1.00 0.00 C ATOM 474 CZ2 TRP A 32 -10.815 -11.359 -5.359 1.00 0.00 C ATOM 475 CZ3 TRP A 32 -10.039 -12.604 -3.444 1.00 0.00 C ATOM 476 CH2 TRP A 32 -11.073 -12.098 -4.240 1.00 0.00 C ATOM 0 H TRP A 32 -3.367 -10.489 -3.524 1.00 0.00 H new ATOM 0 HA TRP A 32 -5.298 -9.458 -5.390 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -5.251 -11.935 -5.877 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -5.836 -12.188 -4.244 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -6.883 -10.037 -7.327 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -9.457 -9.960 -7.466 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -7.926 -12.769 -3.140 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -11.616 -10.968 -5.969 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -10.281 -13.184 -2.565 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -12.098 -12.296 -3.963 1.00 0.00 H new ATOM 487 N GLY A 33 -6.478 -8.764 -3.351 1.00 0.00 N ATOM 488 CA GLY A 33 -7.034 -8.250 -2.170 1.00 0.00 C ATOM 489 C GLY A 33 -8.407 -7.725 -2.386 1.00 0.00 C ATOM 490 O GLY A 33 -8.710 -7.176 -3.456 1.00 0.00 O ATOM 0 H GLY A 33 -6.806 -8.322 -4.210 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -7.060 -9.032 -1.411 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -6.397 -7.453 -1.786 1.00 0.00 H new ATOM 494 N SER A 34 -9.244 -7.942 -1.425 1.00 0.00 N ATOM 495 CA SER A 34 -10.585 -7.489 -1.456 1.00 0.00 C ATOM 496 C SER A 34 -10.736 -6.465 -0.355 1.00 0.00 C ATOM 497 O SER A 34 -10.237 -6.702 0.727 1.00 0.00 O ATOM 498 CB SER A 34 -11.472 -8.688 -1.228 1.00 0.00 C ATOM 499 OG SER A 34 -11.196 -9.702 -2.169 1.00 0.00 O ATOM 0 H SER A 34 -9.002 -8.454 -0.576 1.00 0.00 H new ATOM 0 HA SER A 34 -10.858 -7.029 -2.406 1.00 0.00 H new ATOM 0 HB2 SER A 34 -11.321 -9.071 -0.219 1.00 0.00 H new ATOM 0 HB3 SER A 34 -12.518 -8.391 -1.303 1.00 0.00 H new ATOM 0 HG SER A 34 -11.781 -10.471 -2.003 1.00 0.00 H new ATOM 505 N ILE A 35 -11.349 -5.340 -0.631 1.00 0.00 N ATOM 506 CA ILE A 35 -11.546 -4.303 0.379 1.00 0.00 C ATOM 507 C ILE A 35 -12.848 -3.569 0.144 1.00 0.00 C ATOM 508 O ILE A 35 -13.066 -3.041 -0.931 1.00 0.00 O ATOM 509 CB ILE A 35 -10.340 -3.292 0.467 1.00 0.00 C ATOM 510 CG1 ILE A 35 -10.648 -2.105 1.409 1.00 0.00 C ATOM 511 CG2 ILE A 35 -9.900 -2.814 -0.909 1.00 0.00 C ATOM 512 CD1 ILE A 35 -9.526 -1.092 1.518 1.00 0.00 C ATOM 0 H ILE A 35 -11.726 -5.109 -1.550 1.00 0.00 H new ATOM 0 HA ILE A 35 -11.594 -4.811 1.342 1.00 0.00 H new ATOM 0 HB ILE A 35 -9.503 -3.838 0.902 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -11.546 -1.599 1.056 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -10.870 -2.493 2.403 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -9.067 -2.119 -0.804 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -9.586 -3.669 -1.508 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -10.732 -2.311 -1.403 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -9.822 -0.293 2.197 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -8.631 -1.581 1.902 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -9.317 -0.673 0.534 1.00 0.00 H new ATOM 524 N LYS A 36 -13.694 -3.551 1.147 1.00 0.00 N ATOM 525 CA LYS A 36 -14.963 -2.928 1.079 1.00 0.00 C ATOM 526 C LYS A 36 -14.879 -1.651 1.842 1.00 0.00 C ATOM 527 O LYS A 36 -14.306 -1.625 2.955 1.00 0.00 O ATOM 528 CB LYS A 36 -16.085 -3.857 1.591 1.00 0.00 C ATOM 529 CG LYS A 36 -15.960 -4.330 3.026 1.00 0.00 C ATOM 530 CD LYS A 36 -17.145 -5.211 3.484 1.00 0.00 C ATOM 531 CE LYS A 36 -18.482 -4.450 3.696 1.00 0.00 C ATOM 532 NZ LYS A 36 -19.073 -3.884 2.454 1.00 0.00 N ATOM 0 H LYS A 36 -13.499 -3.985 2.049 1.00 0.00 H new ATOM 0 HA LYS A 36 -15.226 -2.713 0.043 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -17.037 -3.336 1.484 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -16.126 -4.733 0.944 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -15.033 -4.893 3.136 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -15.886 -3.463 3.682 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -17.303 -5.995 2.743 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -16.873 -5.704 4.417 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -19.204 -5.129 4.150 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -18.316 -3.640 4.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -20.109 -3.858 2.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -18.714 -2.919 2.307 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -18.810 -4.478 1.642 1.00 0.00 H new ATOM 546 N GLY A 37 -15.393 -0.610 1.273 1.00 0.00 N ATOM 547 CA GLY A 37 -15.170 0.639 1.791 1.00 0.00 C ATOM 548 C GLY A 37 -16.397 1.413 1.912 1.00 0.00 C ATOM 549 O GLY A 37 -17.500 0.943 1.591 1.00 0.00 O ATOM 0 H GLY A 37 -15.976 -0.634 0.436 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -14.704 0.545 2.772 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -14.467 1.174 1.153 1.00 0.00 H new ATOM 553 N LEU A 38 -16.205 2.553 2.441 1.00 0.00 N ATOM 554 CA LEU A 38 -17.151 3.614 2.479 1.00 0.00 C ATOM 555 C LEU A 38 -17.285 4.021 0.985 1.00 0.00 C ATOM 556 O LEU A 38 -16.582 3.456 0.137 1.00 0.00 O ATOM 557 CB LEU A 38 -16.584 4.743 3.403 1.00 0.00 C ATOM 558 CG LEU A 38 -17.466 5.975 3.722 1.00 0.00 C ATOM 559 CD1 LEU A 38 -17.108 6.504 5.103 1.00 0.00 C ATOM 560 CD2 LEU A 38 -17.226 7.092 2.715 1.00 0.00 C ATOM 0 H LEU A 38 -15.324 2.797 2.894 1.00 0.00 H new ATOM 0 HA LEU A 38 -18.129 3.368 2.892 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -16.309 4.282 4.352 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -15.664 5.108 2.947 1.00 0.00 H new ATOM 0 HG LEU A 38 -18.510 5.665 3.678 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -17.727 7.372 5.332 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -17.283 5.727 5.847 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -16.057 6.793 5.121 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -17.857 7.946 2.961 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -16.179 7.393 2.749 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -17.470 6.737 1.713 1.00 0.00 H new ATOM 572 N THR A 39 -18.126 4.947 0.636 1.00 0.00 N ATOM 573 CA THR A 39 -18.477 5.123 -0.745 1.00 0.00 C ATOM 574 C THR A 39 -17.241 5.423 -1.593 1.00 0.00 C ATOM 575 O THR A 39 -16.308 6.120 -1.161 1.00 0.00 O ATOM 576 CB THR A 39 -19.442 6.301 -0.876 1.00 0.00 C ATOM 577 OG1 THR A 39 -18.834 7.440 -0.246 1.00 0.00 O ATOM 578 CG2 THR A 39 -20.773 5.996 -0.212 1.00 0.00 C ATOM 0 H THR A 39 -18.581 5.591 1.283 1.00 0.00 H new ATOM 0 HA THR A 39 -18.938 4.200 -1.096 1.00 0.00 H new ATOM 0 HB THR A 39 -19.637 6.497 -1.930 1.00 0.00 H new ATOM 0 HG1 THR A 39 -19.433 8.212 -0.318 1.00 0.00 H new ATOM 0 HG21 THR A 39 -21.439 6.852 -0.321 1.00 0.00 H new ATOM 0 HG22 THR A 39 -21.224 5.123 -0.684 1.00 0.00 H new ATOM 0 HG23 THR A 39 -20.613 5.794 0.847 1.00 0.00 H new ATOM 586 N GLU A 40 -17.358 5.007 -2.820 1.00 0.00 N ATOM 587 CA GLU A 40 -16.291 4.686 -3.705 1.00 0.00 C ATOM 588 C GLU A 40 -15.342 5.740 -4.043 1.00 0.00 C ATOM 589 O GLU A 40 -15.567 6.904 -3.876 1.00 0.00 O ATOM 590 CB GLU A 40 -16.921 4.134 -4.994 1.00 0.00 C ATOM 591 CG GLU A 40 -18.035 4.970 -5.629 1.00 0.00 C ATOM 592 CD GLU A 40 -17.547 6.131 -6.444 1.00 0.00 C ATOM 593 OE1 GLU A 40 -17.031 5.908 -7.551 1.00 0.00 O ATOM 594 OE2 GLU A 40 -17.724 7.282 -6.022 1.00 0.00 O ATOM 0 H GLU A 40 -18.272 4.876 -3.254 1.00 0.00 H new ATOM 0 HA GLU A 40 -15.674 3.971 -3.161 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -16.129 4.006 -5.732 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -17.320 3.142 -4.780 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -18.641 4.324 -6.265 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -18.688 5.344 -4.840 1.00 0.00 H new ATOM 601 N GLY A 41 -14.259 5.252 -4.445 1.00 0.00 N ATOM 602 CA GLY A 41 -13.105 6.002 -4.765 1.00 0.00 C ATOM 603 C GLY A 41 -12.485 5.361 -5.940 1.00 0.00 C ATOM 604 O GLY A 41 -12.904 4.237 -6.300 1.00 0.00 O ATOM 0 H GLY A 41 -14.128 4.249 -4.574 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -13.367 7.037 -4.984 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -12.411 6.019 -3.924 1.00 0.00 H new ATOM 608 N LEU A 42 -11.465 5.950 -6.497 1.00 0.00 N ATOM 609 CA LEU A 42 -11.054 5.535 -7.824 1.00 0.00 C ATOM 610 C LEU A 42 -9.556 5.254 -8.032 1.00 0.00 C ATOM 611 O LEU A 42 -9.235 4.365 -8.827 1.00 0.00 O ATOM 612 CB LEU A 42 -11.553 6.534 -8.891 1.00 0.00 C ATOM 613 CG LEU A 42 -13.076 6.771 -8.981 1.00 0.00 C ATOM 614 CD1 LEU A 42 -13.380 7.822 -10.024 1.00 0.00 C ATOM 615 CD2 LEU A 42 -13.818 5.489 -9.318 1.00 0.00 C ATOM 0 H LEU A 42 -10.912 6.697 -6.076 1.00 0.00 H new ATOM 0 HA LEU A 42 -11.530 4.562 -7.940 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -11.072 7.494 -8.705 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -11.207 6.188 -9.865 1.00 0.00 H new ATOM 0 HG LEU A 42 -13.416 7.117 -8.005 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -14.457 7.980 -10.078 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -12.889 8.757 -9.753 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -13.013 7.488 -10.995 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -14.888 5.692 -9.374 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -13.470 5.109 -10.279 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -13.629 4.745 -8.544 1.00 0.00 H new ATOM 627 N HIS A 43 -8.613 5.965 -7.382 1.00 0.00 N ATOM 628 CA HIS A 43 -7.206 5.724 -7.710 1.00 0.00 C ATOM 629 C HIS A 43 -6.334 6.098 -6.542 1.00 0.00 C ATOM 630 O HIS A 43 -6.360 7.231 -6.096 1.00 0.00 O ATOM 631 CB HIS A 43 -6.796 6.567 -8.940 1.00 0.00 C ATOM 632 CG HIS A 43 -5.552 6.081 -9.645 1.00 0.00 C ATOM 633 ND1 HIS A 43 -4.305 6.684 -9.568 1.00 0.00 N ATOM 634 CD2 HIS A 43 -5.396 5.049 -10.497 1.00 0.00 C ATOM 635 CE1 HIS A 43 -3.465 6.038 -10.349 1.00 0.00 C ATOM 636 NE2 HIS A 43 -4.105 5.045 -10.919 1.00 0.00 N ATOM 0 H HIS A 43 -8.790 6.671 -6.667 1.00 0.00 H new ATOM 0 HA HIS A 43 -7.078 4.665 -7.936 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -7.622 6.575 -9.651 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -6.639 7.598 -8.622 1.00 0.00 H new ATOM 0 HD1 HIS A 43 -4.076 7.498 -8.997 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -6.163 4.348 -10.792 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -2.424 6.284 -10.496 1.00 0.00 H new ATOM 645 N GLY A 44 -5.556 5.169 -6.073 1.00 0.00 N ATOM 646 CA GLY A 44 -4.692 5.435 -4.973 1.00 0.00 C ATOM 647 C GLY A 44 -3.705 4.333 -4.762 1.00 0.00 C ATOM 648 O GLY A 44 -3.988 3.187 -5.059 1.00 0.00 O ATOM 0 H GLY A 44 -5.505 4.218 -6.439 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -4.160 6.371 -5.147 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -5.286 5.569 -4.069 1.00 0.00 H new ATOM 652 N PHE A 45 -2.570 4.702 -4.260 1.00 0.00 N ATOM 653 CA PHE A 45 -1.458 3.812 -3.925 1.00 0.00 C ATOM 654 C PHE A 45 -1.518 3.589 -2.442 1.00 0.00 C ATOM 655 O PHE A 45 -1.591 4.565 -1.641 1.00 0.00 O ATOM 656 CB PHE A 45 -0.102 4.426 -4.278 1.00 0.00 C ATOM 657 CG PHE A 45 0.050 4.835 -5.705 1.00 0.00 C ATOM 658 CD1 PHE A 45 -0.355 4.009 -6.729 1.00 0.00 C ATOM 659 CD2 PHE A 45 0.607 6.048 -6.018 1.00 0.00 C ATOM 660 CE1 PHE A 45 -0.212 4.398 -8.037 1.00 0.00 C ATOM 661 CE2 PHE A 45 0.759 6.441 -7.325 1.00 0.00 C ATOM 662 CZ PHE A 45 0.346 5.618 -8.337 1.00 0.00 C ATOM 0 H PHE A 45 -2.364 5.680 -4.055 1.00 0.00 H new ATOM 0 HA PHE A 45 -1.551 2.886 -4.493 1.00 0.00 H new ATOM 0 HB2 PHE A 45 0.061 5.299 -3.646 1.00 0.00 H new ATOM 0 HB3 PHE A 45 0.680 3.707 -4.036 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -0.789 3.047 -6.501 1.00 0.00 H new ATOM 0 HD2 PHE A 45 0.931 6.705 -5.224 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -0.538 3.744 -8.832 1.00 0.00 H new ATOM 0 HE2 PHE A 45 1.204 7.398 -7.554 1.00 0.00 H new ATOM 0 HZ PHE A 45 0.458 5.925 -9.366 1.00 0.00 H new ATOM 672 N HIS A 46 -1.361 2.379 -2.017 1.00 0.00 N ATOM 673 CA HIS A 46 -1.773 2.069 -0.756 1.00 0.00 C ATOM 674 C HIS A 46 -0.734 1.401 -0.011 1.00 0.00 C ATOM 675 O HIS A 46 -0.656 0.212 0.002 1.00 0.00 O ATOM 676 CB HIS A 46 -3.046 1.184 -0.845 1.00 0.00 C ATOM 677 CG HIS A 46 -3.209 0.345 -2.130 1.00 0.00 C ATOM 678 ND1 HIS A 46 -2.961 -0.997 -2.245 1.00 0.00 N ATOM 679 CD2 HIS A 46 -3.643 0.724 -3.356 1.00 0.00 C ATOM 680 CE1 HIS A 46 -3.238 -1.397 -3.474 1.00 0.00 C ATOM 681 NE2 HIS A 46 -3.650 -0.374 -4.161 1.00 0.00 N ATOM 0 H HIS A 46 -0.947 1.614 -2.550 1.00 0.00 H new ATOM 0 HA HIS A 46 -2.005 2.991 -0.222 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -3.051 0.506 0.009 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -3.919 1.829 -0.745 1.00 0.00 H new ATOM 0 HD1 HIS A 46 -2.615 -1.597 -1.496 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -3.933 1.723 -3.645 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -3.138 -2.406 -3.845 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -3.932 -0.391 -5.141 1.00 0.00 H new ATOM 690 N VAL A 47 0.130 2.202 0.527 1.00 0.00 N ATOM 691 CA VAL A 47 1.034 1.787 1.510 1.00 0.00 C ATOM 692 C VAL A 47 1.843 2.996 2.053 1.00 0.00 C ATOM 693 O VAL A 47 1.830 4.103 1.468 1.00 0.00 O ATOM 694 CB VAL A 47 1.946 0.695 0.969 1.00 0.00 C ATOM 695 CG1 VAL A 47 2.870 1.246 -0.082 1.00 0.00 C ATOM 696 CG2 VAL A 47 2.640 -0.069 2.087 1.00 0.00 C ATOM 0 H VAL A 47 0.215 3.187 0.276 1.00 0.00 H new ATOM 0 HA VAL A 47 0.475 1.365 2.345 1.00 0.00 H new ATOM 0 HB VAL A 47 1.338 -0.056 0.464 1.00 0.00 H new ATOM 0 HG11 VAL A 47 3.513 0.449 -0.455 1.00 0.00 H new ATOM 0 HG12 VAL A 47 2.283 1.654 -0.905 1.00 0.00 H new ATOM 0 HG13 VAL A 47 3.485 2.035 0.351 1.00 0.00 H new ATOM 0 HG21 VAL A 47 3.281 -0.839 1.658 1.00 0.00 H new ATOM 0 HG22 VAL A 47 3.245 0.619 2.677 1.00 0.00 H new ATOM 0 HG23 VAL A 47 1.892 -0.536 2.728 1.00 0.00 H new ATOM 706 N HIS A 48 2.428 2.774 3.165 1.00 0.00 N ATOM 707 CA HIS A 48 3.476 3.590 3.818 1.00 0.00 C ATOM 708 C HIS A 48 4.382 2.630 4.570 1.00 0.00 C ATOM 709 O HIS A 48 3.950 1.971 5.519 1.00 0.00 O ATOM 710 CB HIS A 48 2.949 4.685 4.784 1.00 0.00 C ATOM 711 CG HIS A 48 2.785 6.054 4.163 1.00 0.00 C ATOM 712 ND1 HIS A 48 3.780 6.999 4.158 1.00 0.00 N ATOM 713 CD2 HIS A 48 1.741 6.631 3.526 1.00 0.00 C ATOM 714 CE1 HIS A 48 3.365 8.084 3.541 1.00 0.00 C ATOM 715 NE2 HIS A 48 2.126 7.896 3.148 1.00 0.00 N ATOM 0 H HIS A 48 2.193 1.953 3.723 1.00 0.00 H new ATOM 0 HA HIS A 48 3.998 4.142 3.036 1.00 0.00 H new ATOM 0 HB2 HIS A 48 1.986 4.365 5.183 1.00 0.00 H new ATOM 0 HB3 HIS A 48 3.633 4.764 5.629 1.00 0.00 H new ATOM 0 HD1 HIS A 48 4.705 6.878 4.572 1.00 0.00 H new ATOM 0 HD2 HIS A 48 0.777 6.179 3.346 1.00 0.00 H new ATOM 0 HE1 HIS A 48 3.946 8.980 3.384 1.00 0.00 H new ATOM 724 N GLU A 49 5.601 2.502 4.129 1.00 0.00 N ATOM 725 CA GLU A 49 6.471 1.494 4.702 1.00 0.00 C ATOM 726 C GLU A 49 7.188 1.890 5.993 1.00 0.00 C ATOM 727 O GLU A 49 8.286 2.303 5.994 1.00 0.00 O ATOM 728 CB GLU A 49 7.435 0.952 3.675 1.00 0.00 C ATOM 729 CG GLU A 49 8.425 1.929 3.087 1.00 0.00 C ATOM 730 CD GLU A 49 9.319 1.252 2.084 1.00 0.00 C ATOM 731 OE1 GLU A 49 9.365 0.030 2.084 1.00 0.00 O ATOM 732 OE2 GLU A 49 9.983 1.931 1.310 1.00 0.00 O ATOM 0 H GLU A 49 6.017 3.067 3.389 1.00 0.00 H new ATOM 0 HA GLU A 49 5.793 0.699 5.011 1.00 0.00 H new ATOM 0 HB2 GLU A 49 7.994 0.135 4.132 1.00 0.00 H new ATOM 0 HB3 GLU A 49 6.855 0.523 2.858 1.00 0.00 H new ATOM 0 HG2 GLU A 49 7.891 2.750 2.608 1.00 0.00 H new ATOM 0 HG3 GLU A 49 9.029 2.364 3.883 1.00 0.00 H new ATOM 739 N PHE A 50 6.491 1.675 7.049 1.00 0.00 N ATOM 740 CA PHE A 50 6.905 1.853 8.436 1.00 0.00 C ATOM 741 C PHE A 50 5.818 1.205 9.265 1.00 0.00 C ATOM 742 O PHE A 50 4.770 1.799 9.499 1.00 0.00 O ATOM 743 CB PHE A 50 7.072 3.351 8.869 1.00 0.00 C ATOM 744 CG PHE A 50 8.183 4.106 8.189 1.00 0.00 C ATOM 745 CD1 PHE A 50 9.508 3.832 8.486 1.00 0.00 C ATOM 746 CD2 PHE A 50 7.902 5.049 7.212 1.00 0.00 C ATOM 747 CE1 PHE A 50 10.528 4.484 7.833 1.00 0.00 C ATOM 748 CE2 PHE A 50 8.921 5.695 6.551 1.00 0.00 C ATOM 749 CZ PHE A 50 10.236 5.415 6.862 1.00 0.00 C ATOM 0 H PHE A 50 5.530 1.340 6.984 1.00 0.00 H new ATOM 0 HA PHE A 50 7.890 1.408 8.576 1.00 0.00 H new ATOM 0 HB2 PHE A 50 6.134 3.872 8.679 1.00 0.00 H new ATOM 0 HB3 PHE A 50 7.242 3.382 9.945 1.00 0.00 H new ATOM 0 HD1 PHE A 50 9.743 3.096 9.241 1.00 0.00 H new ATOM 0 HD2 PHE A 50 6.875 5.278 6.968 1.00 0.00 H new ATOM 0 HE1 PHE A 50 11.556 4.266 8.082 1.00 0.00 H new ATOM 0 HE2 PHE A 50 8.691 6.423 5.787 1.00 0.00 H new ATOM 0 HZ PHE A 50 11.035 5.925 6.344 1.00 0.00 H new ATOM 759 N GLY A 51 5.997 -0.066 9.558 1.00 0.00 N ATOM 760 CA GLY A 51 4.987 -0.802 10.330 1.00 0.00 C ATOM 761 C GLY A 51 4.767 -0.279 11.747 1.00 0.00 C ATOM 762 O GLY A 51 5.727 0.085 12.436 1.00 0.00 O ATOM 0 H GLY A 51 6.813 -0.613 9.285 1.00 0.00 H new ATOM 0 HA2 GLY A 51 4.040 -0.766 9.792 1.00 0.00 H new ATOM 0 HA3 GLY A 51 5.283 -1.850 10.385 1.00 0.00 H new ATOM 766 N ASP A 52 3.499 -0.235 12.172 1.00 0.00 N ATOM 767 CA ASP A 52 3.146 0.183 13.530 1.00 0.00 C ATOM 768 C ASP A 52 2.309 -0.892 14.171 1.00 0.00 C ATOM 769 O ASP A 52 2.823 -1.788 14.854 1.00 0.00 O ATOM 770 CB ASP A 52 2.328 1.496 13.601 1.00 0.00 C ATOM 771 CG ASP A 52 3.008 2.728 13.118 1.00 0.00 C ATOM 772 OD1 ASP A 52 4.056 3.115 13.669 1.00 0.00 O ATOM 773 OD2 ASP A 52 2.474 3.368 12.222 1.00 0.00 O ATOM 0 H ASP A 52 2.699 -0.485 11.591 1.00 0.00 H new ATOM 0 HA ASP A 52 4.093 0.353 14.042 1.00 0.00 H new ATOM 0 HB2 ASP A 52 1.415 1.361 13.022 1.00 0.00 H new ATOM 0 HB3 ASP A 52 2.028 1.656 14.637 1.00 0.00 H new ATOM 778 N ASN A 53 1.015 -0.831 13.896 1.00 0.00 N ATOM 779 CA ASN A 53 0.036 -1.764 14.433 1.00 0.00 C ATOM 780 C ASN A 53 -1.238 -1.613 13.607 1.00 0.00 C ATOM 781 O ASN A 53 -1.408 -0.593 12.940 1.00 0.00 O ATOM 782 CB ASN A 53 -0.238 -1.439 15.922 1.00 0.00 C ATOM 783 CG ASN A 53 -1.169 -2.431 16.602 1.00 0.00 C ATOM 784 OD1 ASN A 53 -2.386 -2.257 16.596 1.00 0.00 O ATOM 785 ND2 ASN A 53 -0.614 -3.459 17.183 1.00 0.00 N ATOM 0 H ASN A 53 0.610 -0.122 13.285 1.00 0.00 H new ATOM 0 HA ASN A 53 0.402 -2.789 14.378 1.00 0.00 H new ATOM 0 HB2 ASN A 53 0.710 -1.416 16.460 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -0.670 -0.441 15.994 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -1.194 -4.153 17.654 1.00 0.00 H new ATOM 0 HD22 ASN A 53 0.400 -3.568 17.166 1.00 0.00 H new ATOM 792 N THR A 54 -2.108 -2.607 13.626 1.00 0.00 N ATOM 793 CA THR A 54 -3.346 -2.565 12.863 1.00 0.00 C ATOM 794 C THR A 54 -4.318 -1.496 13.416 1.00 0.00 C ATOM 795 O THR A 54 -5.066 -0.895 12.672 1.00 0.00 O ATOM 796 CB THR A 54 -4.040 -3.980 12.813 1.00 0.00 C ATOM 797 OG1 THR A 54 -5.224 -3.952 11.995 1.00 0.00 O ATOM 798 CG2 THR A 54 -4.413 -4.479 14.206 1.00 0.00 C ATOM 0 H THR A 54 -1.979 -3.462 14.167 1.00 0.00 H new ATOM 0 HA THR A 54 -3.085 -2.283 11.843 1.00 0.00 H new ATOM 0 HB THR A 54 -3.313 -4.664 12.376 1.00 0.00 H new ATOM 0 HG1 THR A 54 -4.969 -3.980 11.049 1.00 0.00 H new ATOM 0 HG21 THR A 54 -4.888 -5.457 14.127 1.00 0.00 H new ATOM 0 HG22 THR A 54 -3.513 -4.561 14.816 1.00 0.00 H new ATOM 0 HG23 THR A 54 -5.104 -3.776 14.671 1.00 0.00 H new ATOM 806 N ALA A 55 -4.238 -1.222 14.701 1.00 0.00 N ATOM 807 CA ALA A 55 -5.166 -0.304 15.329 1.00 0.00 C ATOM 808 C ALA A 55 -4.734 1.152 15.207 1.00 0.00 C ATOM 809 O ALA A 55 -5.577 2.058 15.270 1.00 0.00 O ATOM 810 CB ALA A 55 -5.378 -0.675 16.785 1.00 0.00 C ATOM 0 H ALA A 55 -3.542 -1.621 15.331 1.00 0.00 H new ATOM 0 HA ALA A 55 -6.110 -0.397 14.792 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -6.078 0.025 17.241 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -5.783 -1.685 16.848 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -4.426 -0.632 17.314 1.00 0.00 H new ATOM 816 N GLY A 56 -3.457 1.390 14.993 1.00 0.00 N ATOM 817 CA GLY A 56 -2.990 2.745 14.962 1.00 0.00 C ATOM 818 C GLY A 56 -1.844 2.902 14.033 1.00 0.00 C ATOM 819 O GLY A 56 -0.777 2.336 14.252 1.00 0.00 O ATOM 0 H GLY A 56 -2.744 0.676 14.842 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -3.802 3.404 14.655 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -2.692 3.052 15.965 1.00 0.00 H new ATOM 823 N CYS A 57 -2.082 3.577 12.970 1.00 0.00 N ATOM 824 CA CYS A 57 -1.088 3.853 12.001 1.00 0.00 C ATOM 825 C CYS A 57 -0.503 5.252 12.183 1.00 0.00 C ATOM 826 O CYS A 57 -1.020 6.258 11.652 1.00 0.00 O ATOM 827 CB CYS A 57 -1.643 3.602 10.618 1.00 0.00 C ATOM 828 SG CYS A 57 -3.257 4.411 10.276 1.00 0.00 S ATOM 0 H CYS A 57 -2.998 3.963 12.744 1.00 0.00 H new ATOM 0 HA CYS A 57 -0.247 3.173 12.137 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -0.917 3.947 9.882 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -1.754 2.527 10.476 1.00 0.00 H new ATOM 833 N THR A 58 0.524 5.310 12.985 1.00 0.00 N ATOM 834 CA THR A 58 1.228 6.520 13.301 1.00 0.00 C ATOM 835 C THR A 58 2.192 6.886 12.175 1.00 0.00 C ATOM 836 O THR A 58 2.220 8.018 11.682 1.00 0.00 O ATOM 837 CB THR A 58 2.023 6.315 14.605 1.00 0.00 C ATOM 838 OG1 THR A 58 1.127 5.861 15.648 1.00 0.00 O ATOM 839 CG2 THR A 58 2.696 7.603 15.039 1.00 0.00 C ATOM 0 H THR A 58 0.906 4.488 13.452 1.00 0.00 H new ATOM 0 HA THR A 58 0.507 7.328 13.423 1.00 0.00 H new ATOM 0 HB THR A 58 2.796 5.567 14.426 1.00 0.00 H new ATOM 0 HG1 THR A 58 1.631 5.728 16.478 1.00 0.00 H new ATOM 0 HG21 THR A 58 3.250 7.431 15.962 1.00 0.00 H new ATOM 0 HG22 THR A 58 3.382 7.935 14.260 1.00 0.00 H new ATOM 0 HG23 THR A 58 1.940 8.370 15.208 1.00 0.00 H new ATOM 847 N SER A 59 2.931 5.905 11.746 1.00 0.00 N ATOM 848 CA SER A 59 3.966 6.056 10.777 1.00 0.00 C ATOM 849 C SER A 59 3.400 6.114 9.374 1.00 0.00 C ATOM 850 O SER A 59 4.102 6.422 8.404 1.00 0.00 O ATOM 851 CB SER A 59 4.967 4.935 10.937 1.00 0.00 C ATOM 852 OG SER A 59 5.448 4.874 12.288 1.00 0.00 O ATOM 0 H SER A 59 2.822 4.946 12.076 1.00 0.00 H new ATOM 0 HA SER A 59 4.478 7.004 10.942 1.00 0.00 H new ATOM 0 HB2 SER A 59 4.504 3.986 10.667 1.00 0.00 H new ATOM 0 HB3 SER A 59 5.803 5.087 10.254 1.00 0.00 H new ATOM 0 HG SER A 59 4.923 4.219 12.793 1.00 0.00 H new ATOM 858 N ALA A 60 2.105 5.847 9.273 1.00 0.00 N ATOM 859 CA ALA A 60 1.370 5.866 8.008 1.00 0.00 C ATOM 860 C ALA A 60 1.111 7.277 7.524 1.00 0.00 C ATOM 861 O ALA A 60 0.623 7.480 6.392 1.00 0.00 O ATOM 862 CB ALA A 60 0.050 5.213 8.208 1.00 0.00 C ATOM 0 H ALA A 60 1.524 5.607 10.076 1.00 0.00 H new ATOM 0 HA ALA A 60 1.976 5.344 7.268 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -0.506 5.222 7.271 1.00 0.00 H new ATOM 0 HB2 ALA A 60 0.199 4.183 8.532 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -0.512 5.755 8.969 1.00 0.00 H new ATOM 868 N GLY A 61 1.400 8.228 8.374 1.00 0.00 N ATOM 869 CA GLY A 61 1.238 9.619 8.066 1.00 0.00 C ATOM 870 C GLY A 61 2.219 10.133 7.016 1.00 0.00 C ATOM 871 O GLY A 61 2.565 9.431 6.066 1.00 0.00 O ATOM 0 H GLY A 61 1.759 8.052 9.312 1.00 0.00 H new ATOM 0 HA2 GLY A 61 0.221 9.788 7.713 1.00 0.00 H new ATOM 0 HA3 GLY A 61 1.359 10.201 8.980 1.00 0.00 H new ATOM 875 N PRO A 62 2.695 11.363 7.171 1.00 0.00 N ATOM 876 CA PRO A 62 3.597 12.038 6.213 1.00 0.00 C ATOM 877 C PRO A 62 4.990 11.387 6.064 1.00 0.00 C ATOM 878 O PRO A 62 5.870 11.956 5.433 1.00 0.00 O ATOM 879 CB PRO A 62 3.734 13.456 6.781 1.00 0.00 C ATOM 880 CG PRO A 62 3.470 13.302 8.232 1.00 0.00 C ATOM 881 CD PRO A 62 2.422 12.237 8.341 1.00 0.00 C ATOM 0 HA PRO A 62 3.181 11.987 5.207 1.00 0.00 H new ATOM 0 HB2 PRO A 62 4.729 13.862 6.600 1.00 0.00 H new ATOM 0 HB3 PRO A 62 3.022 14.139 6.318 1.00 0.00 H new ATOM 0 HG2 PRO A 62 4.376 13.017 8.767 1.00 0.00 H new ATOM 0 HG3 PRO A 62 3.124 14.239 8.669 1.00 0.00 H new ATOM 0 HD2 PRO A 62 2.503 11.689 9.280 1.00 0.00 H new ATOM 0 HD3 PRO A 62 1.417 12.657 8.303 1.00 0.00 H new ATOM 889 N HIS A 63 5.191 10.221 6.645 1.00 0.00 N ATOM 890 CA HIS A 63 6.536 9.657 6.738 1.00 0.00 C ATOM 891 C HIS A 63 6.709 8.593 5.656 1.00 0.00 C ATOM 892 O HIS A 63 5.930 7.642 5.576 1.00 0.00 O ATOM 893 CB HIS A 63 6.790 9.081 8.145 1.00 0.00 C ATOM 894 CG HIS A 63 8.241 9.114 8.568 1.00 0.00 C ATOM 895 ND1 HIS A 63 8.665 9.657 9.766 1.00 0.00 N ATOM 896 CD2 HIS A 63 9.363 8.679 7.956 1.00 0.00 C ATOM 897 CE1 HIS A 63 9.973 9.552 9.856 1.00 0.00 C ATOM 898 NE2 HIS A 63 10.412 8.965 8.775 1.00 0.00 N ATOM 0 H HIS A 63 4.455 9.647 7.057 1.00 0.00 H new ATOM 0 HA HIS A 63 7.274 10.443 6.576 1.00 0.00 H new ATOM 0 HB2 HIS A 63 6.198 9.641 8.869 1.00 0.00 H new ATOM 0 HB3 HIS A 63 6.437 8.050 8.174 1.00 0.00 H new ATOM 0 HD2 HIS A 63 9.418 8.193 6.993 1.00 0.00 H new ATOM 0 HE1 HIS A 63 10.580 9.893 10.682 1.00 0.00 H new ATOM 0 HE2 HIS A 63 11.390 8.754 8.575 1.00 0.00 H new ATOM 907 N PHE A 64 7.713 8.746 4.841 1.00 0.00 N ATOM 908 CA PHE A 64 7.894 7.906 3.667 1.00 0.00 C ATOM 909 C PHE A 64 9.328 7.408 3.526 1.00 0.00 C ATOM 910 O PHE A 64 10.228 7.907 4.198 1.00 0.00 O ATOM 911 CB PHE A 64 7.482 8.714 2.420 1.00 0.00 C ATOM 912 CG PHE A 64 8.093 10.110 2.357 1.00 0.00 C ATOM 913 CD1 PHE A 64 9.376 10.312 1.876 1.00 0.00 C ATOM 914 CD2 PHE A 64 7.371 11.214 2.786 1.00 0.00 C ATOM 915 CE1 PHE A 64 9.927 11.582 1.826 1.00 0.00 C ATOM 916 CE2 PHE A 64 7.915 12.485 2.739 1.00 0.00 C ATOM 917 CZ PHE A 64 9.193 12.667 2.258 1.00 0.00 C ATOM 0 H PHE A 64 8.436 9.455 4.962 1.00 0.00 H new ATOM 0 HA PHE A 64 7.267 7.021 3.775 1.00 0.00 H new ATOM 0 HB2 PHE A 64 7.774 8.160 1.528 1.00 0.00 H new ATOM 0 HB3 PHE A 64 6.396 8.802 2.399 1.00 0.00 H new ATOM 0 HD1 PHE A 64 9.955 9.467 1.535 1.00 0.00 H new ATOM 0 HD2 PHE A 64 6.368 11.079 3.163 1.00 0.00 H new ATOM 0 HE1 PHE A 64 10.929 11.722 1.449 1.00 0.00 H new ATOM 0 HE2 PHE A 64 7.339 13.333 3.079 1.00 0.00 H new ATOM 0 HZ PHE A 64 9.620 13.658 2.219 1.00 0.00 H new ATOM 927 N ASN A 65 9.527 6.415 2.662 1.00 0.00 N ATOM 928 CA ASN A 65 10.833 5.921 2.362 1.00 0.00 C ATOM 929 C ASN A 65 11.131 6.240 0.925 1.00 0.00 C ATOM 930 O ASN A 65 10.683 5.562 0.013 1.00 0.00 O ATOM 931 CB ASN A 65 10.970 4.437 2.611 1.00 0.00 C ATOM 932 CG ASN A 65 12.369 3.928 2.297 1.00 0.00 C ATOM 933 OD1 ASN A 65 13.363 4.641 2.483 1.00 0.00 O ATOM 934 ND2 ASN A 65 12.454 2.745 1.763 1.00 0.00 N ATOM 0 H ASN A 65 8.776 5.942 2.160 1.00 0.00 H new ATOM 0 HA ASN A 65 11.548 6.405 3.027 1.00 0.00 H new ATOM 0 HB2 ASN A 65 10.732 4.222 3.653 1.00 0.00 H new ATOM 0 HB3 ASN A 65 10.244 3.899 2.001 1.00 0.00 H new ATOM 0 HD21 ASN A 65 13.363 2.376 1.482 1.00 0.00 H new ATOM 0 HD22 ASN A 65 11.612 2.186 1.625 1.00 0.00 H new ATOM 941 N PRO A 66 11.821 7.324 0.703 1.00 0.00 N ATOM 942 CA PRO A 66 12.137 7.794 -0.605 1.00 0.00 C ATOM 943 C PRO A 66 13.312 7.065 -1.170 1.00 0.00 C ATOM 944 O PRO A 66 13.600 7.182 -2.357 1.00 0.00 O ATOM 945 CB PRO A 66 12.464 9.270 -0.389 1.00 0.00 C ATOM 946 CG PRO A 66 13.017 9.345 0.990 1.00 0.00 C ATOM 947 CD PRO A 66 12.400 8.210 1.761 1.00 0.00 C ATOM 0 HA PRO A 66 11.325 7.639 -1.315 1.00 0.00 H new ATOM 0 HB2 PRO A 66 13.186 9.626 -1.124 1.00 0.00 H new ATOM 0 HB3 PRO A 66 11.574 9.890 -0.491 1.00 0.00 H new ATOM 0 HG2 PRO A 66 14.104 9.260 0.977 1.00 0.00 H new ATOM 0 HG3 PRO A 66 12.778 10.303 1.452 1.00 0.00 H new ATOM 0 HD2 PRO A 66 13.144 7.683 2.359 1.00 0.00 H new ATOM 0 HD3 PRO A 66 11.632 8.565 2.448 1.00 0.00 H new ATOM 955 N LEU A 67 13.985 6.281 -0.311 1.00 0.00 N ATOM 956 CA LEU A 67 15.279 5.762 -0.639 1.00 0.00 C ATOM 957 C LEU A 67 15.172 4.804 -1.793 1.00 0.00 C ATOM 958 O LEU A 67 15.914 4.916 -2.755 1.00 0.00 O ATOM 959 CB LEU A 67 15.915 5.100 0.621 1.00 0.00 C ATOM 960 CG LEU A 67 17.430 4.724 0.603 1.00 0.00 C ATOM 961 CD1 LEU A 67 17.758 3.587 -0.359 1.00 0.00 C ATOM 962 CD2 LEU A 67 18.286 5.947 0.302 1.00 0.00 C ATOM 0 H LEU A 67 13.637 6.006 0.607 1.00 0.00 H new ATOM 0 HA LEU A 67 15.936 6.573 -0.952 1.00 0.00 H new ATOM 0 HB2 LEU A 67 15.755 5.775 1.462 1.00 0.00 H new ATOM 0 HB3 LEU A 67 15.354 4.190 0.831 1.00 0.00 H new ATOM 0 HG LEU A 67 17.667 4.359 1.602 1.00 0.00 H new ATOM 0 HD11 LEU A 67 18.827 3.376 -0.322 1.00 0.00 H new ATOM 0 HD12 LEU A 67 17.202 2.695 -0.071 1.00 0.00 H new ATOM 0 HD13 LEU A 67 17.480 3.876 -1.372 1.00 0.00 H new ATOM 0 HD21 LEU A 67 19.338 5.662 0.294 1.00 0.00 H new ATOM 0 HD22 LEU A 67 18.013 6.352 -0.673 1.00 0.00 H new ATOM 0 HD23 LEU A 67 18.121 6.704 1.068 1.00 0.00 H new ATOM 974 N SER A 68 14.199 3.930 -1.737 1.00 0.00 N ATOM 975 CA SER A 68 14.126 2.872 -2.677 1.00 0.00 C ATOM 976 C SER A 68 14.190 3.265 -4.126 1.00 0.00 C ATOM 977 O SER A 68 15.013 2.695 -4.849 1.00 0.00 O ATOM 978 CB SER A 68 13.057 1.903 -2.355 1.00 0.00 C ATOM 979 OG SER A 68 13.111 1.534 -0.980 1.00 0.00 O ATOM 0 H SER A 68 13.451 3.942 -1.044 1.00 0.00 H new ATOM 0 HA SER A 68 15.071 2.343 -2.552 1.00 0.00 H new ATOM 0 HB2 SER A 68 12.084 2.338 -2.582 1.00 0.00 H new ATOM 0 HB3 SER A 68 13.163 1.016 -2.979 1.00 0.00 H new ATOM 0 HG SER A 68 12.963 0.569 -0.894 1.00 0.00 H new ATOM 985 N ARG A 69 13.386 4.175 -4.628 1.00 0.00 N ATOM 986 CA ARG A 69 13.763 4.629 -5.949 1.00 0.00 C ATOM 987 C ARG A 69 13.710 6.103 -6.054 1.00 0.00 C ATOM 988 O ARG A 69 14.512 6.648 -6.759 1.00 0.00 O ATOM 989 CB ARG A 69 12.945 3.978 -7.068 1.00 0.00 C ATOM 990 CG ARG A 69 13.296 4.512 -8.471 1.00 0.00 C ATOM 991 CD ARG A 69 12.495 3.872 -9.585 1.00 0.00 C ATOM 992 NE ARG A 69 12.847 4.434 -10.891 1.00 0.00 N ATOM 993 CZ ARG A 69 12.484 3.918 -12.073 1.00 0.00 C ATOM 994 NH1 ARG A 69 11.543 2.983 -12.146 1.00 0.00 N ATOM 995 NH2 ARG A 69 12.982 4.422 -13.182 1.00 0.00 N ATOM 0 H ARG A 69 12.554 4.581 -4.200 1.00 0.00 H new ATOM 0 HA ARG A 69 14.796 4.308 -6.087 1.00 0.00 H new ATOM 0 HB2 ARG A 69 13.106 2.900 -7.046 1.00 0.00 H new ATOM 0 HB3 ARG A 69 11.885 4.146 -6.878 1.00 0.00 H new ATOM 0 HG2 ARG A 69 13.133 5.589 -8.491 1.00 0.00 H new ATOM 0 HG3 ARG A 69 14.357 4.347 -8.658 1.00 0.00 H new ATOM 0 HD2 ARG A 69 12.673 2.797 -9.591 1.00 0.00 H new ATOM 0 HD3 ARG A 69 11.431 4.018 -9.400 1.00 0.00 H new ATOM 0 HE ARG A 69 13.412 5.283 -10.901 1.00 0.00 H new ATOM 0 HH11 ARG A 69 11.088 2.650 -11.296 1.00 0.00 H new ATOM 0 HH12 ARG A 69 11.276 2.598 -13.052 1.00 0.00 H new ATOM 0 HH21 ARG A 69 13.640 5.200 -13.138 1.00 0.00 H new ATOM 0 HH22 ARG A 69 12.710 4.034 -14.085 1.00 0.00 H new ATOM 1009 N LYS A 70 12.775 6.736 -5.330 1.00 0.00 N ATOM 1010 CA LYS A 70 12.708 8.205 -5.149 1.00 0.00 C ATOM 1011 C LYS A 70 11.291 8.581 -4.698 1.00 0.00 C ATOM 1012 O LYS A 70 11.023 8.811 -3.515 1.00 0.00 O ATOM 1013 CB LYS A 70 13.062 9.002 -6.412 1.00 0.00 C ATOM 1014 CG LYS A 70 13.347 10.475 -6.173 1.00 0.00 C ATOM 1015 CD LYS A 70 14.606 10.669 -5.346 1.00 0.00 C ATOM 1016 CE LYS A 70 14.907 12.139 -5.136 1.00 0.00 C ATOM 1017 NZ LYS A 70 15.117 12.852 -6.407 1.00 0.00 N ATOM 0 H LYS A 70 12.029 6.239 -4.843 1.00 0.00 H new ATOM 0 HA LYS A 70 13.454 8.467 -4.399 1.00 0.00 H new ATOM 0 HB2 LYS A 70 13.936 8.548 -6.879 1.00 0.00 H new ATOM 0 HB3 LYS A 70 12.240 8.915 -7.122 1.00 0.00 H new ATOM 0 HG2 LYS A 70 13.456 10.986 -7.130 1.00 0.00 H new ATOM 0 HG3 LYS A 70 12.500 10.933 -5.662 1.00 0.00 H new ATOM 0 HD2 LYS A 70 14.488 10.178 -4.380 1.00 0.00 H new ATOM 0 HD3 LYS A 70 15.449 10.191 -5.845 1.00 0.00 H new ATOM 0 HE2 LYS A 70 14.083 12.603 -4.593 1.00 0.00 H new ATOM 0 HE3 LYS A 70 15.796 12.241 -4.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 15.563 13.773 -6.219 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 15.736 12.287 -7.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 14.201 13.000 -6.877 1.00 0.00 H new ATOM 1031 N HIS A 71 10.379 8.596 -5.692 1.00 0.00 N ATOM 1032 CA HIS A 71 8.941 8.869 -5.555 1.00 0.00 C ATOM 1033 C HIS A 71 8.300 8.814 -6.955 1.00 0.00 C ATOM 1034 O HIS A 71 8.738 9.525 -7.853 1.00 0.00 O ATOM 1035 CB HIS A 71 8.626 10.242 -4.843 1.00 0.00 C ATOM 1036 CG HIS A 71 8.943 11.522 -5.601 1.00 0.00 C ATOM 1037 ND1 HIS A 71 8.107 12.614 -5.594 1.00 0.00 N ATOM 1038 CD2 HIS A 71 10.009 11.885 -6.353 1.00 0.00 C ATOM 1039 CE1 HIS A 71 8.646 13.577 -6.307 1.00 0.00 C ATOM 1040 NE2 HIS A 71 9.792 13.159 -6.772 1.00 0.00 N ATOM 0 H HIS A 71 10.643 8.408 -6.659 1.00 0.00 H new ATOM 0 HA HIS A 71 8.514 8.105 -4.906 1.00 0.00 H new ATOM 0 HB2 HIS A 71 7.565 10.254 -4.593 1.00 0.00 H new ATOM 0 HB3 HIS A 71 9.175 10.265 -3.902 1.00 0.00 H new ATOM 0 HD1 HIS A 71 7.210 12.668 -5.111 1.00 0.00 H new ATOM 0 HD2 HIS A 71 10.871 11.275 -6.578 1.00 0.00 H new ATOM 0 HE1 HIS A 71 8.213 14.551 -6.480 1.00 0.00 H new ATOM 1049 N GLY A 72 7.347 7.927 -7.166 1.00 0.00 N ATOM 1050 CA GLY A 72 6.696 7.895 -8.477 1.00 0.00 C ATOM 1051 C GLY A 72 5.291 7.291 -8.496 1.00 0.00 C ATOM 1052 O GLY A 72 4.298 8.012 -8.332 1.00 0.00 O ATOM 0 H GLY A 72 7.012 7.244 -6.486 1.00 0.00 H new ATOM 0 HA2 GLY A 72 6.641 8.913 -8.862 1.00 0.00 H new ATOM 0 HA3 GLY A 72 7.326 7.329 -9.163 1.00 0.00 H new ATOM 1056 N GLY A 73 5.206 6.004 -8.657 1.00 0.00 N ATOM 1057 CA GLY A 73 3.956 5.365 -8.832 1.00 0.00 C ATOM 1058 C GLY A 73 4.032 3.855 -8.678 1.00 0.00 C ATOM 1059 O GLY A 73 4.840 3.355 -7.911 1.00 0.00 O ATOM 0 H GLY A 73 6.009 5.375 -8.669 1.00 0.00 H new ATOM 0 HA2 GLY A 73 3.246 5.763 -8.107 1.00 0.00 H new ATOM 0 HA3 GLY A 73 3.568 5.604 -9.822 1.00 0.00 H new ATOM 1063 N PRO A 74 3.211 3.120 -9.444 1.00 0.00 N ATOM 1064 CA PRO A 74 2.996 1.674 -9.301 1.00 0.00 C ATOM 1065 C PRO A 74 3.654 0.818 -10.376 1.00 0.00 C ATOM 1066 O PRO A 74 3.454 -0.398 -10.421 1.00 0.00 O ATOM 1067 CB PRO A 74 1.496 1.624 -9.532 1.00 0.00 C ATOM 1068 CG PRO A 74 1.277 2.587 -10.666 1.00 0.00 C ATOM 1069 CD PRO A 74 2.348 3.655 -10.523 1.00 0.00 C ATOM 0 HA PRO A 74 3.398 1.291 -8.363 1.00 0.00 H new ATOM 0 HB2 PRO A 74 1.164 0.619 -9.791 1.00 0.00 H new ATOM 0 HB3 PRO A 74 0.944 1.922 -8.641 1.00 0.00 H new ATOM 0 HG2 PRO A 74 1.357 2.081 -11.628 1.00 0.00 H new ATOM 0 HG3 PRO A 74 0.280 3.025 -10.618 1.00 0.00 H new ATOM 0 HD2 PRO A 74 2.903 3.797 -11.450 1.00 0.00 H new ATOM 0 HD3 PRO A 74 1.921 4.622 -10.256 1.00 0.00 H new ATOM 1077 N LYS A 75 4.342 1.434 -11.267 1.00 0.00 N ATOM 1078 CA LYS A 75 4.773 0.753 -12.471 1.00 0.00 C ATOM 1079 C LYS A 75 6.090 0.017 -12.363 1.00 0.00 C ATOM 1080 O LYS A 75 6.380 -0.843 -13.208 1.00 0.00 O ATOM 1081 CB LYS A 75 4.752 1.682 -13.692 1.00 0.00 C ATOM 1082 CG LYS A 75 3.358 2.136 -14.100 1.00 0.00 C ATOM 1083 CD LYS A 75 3.389 2.921 -15.401 1.00 0.00 C ATOM 1084 CE LYS A 75 1.984 3.258 -15.880 1.00 0.00 C ATOM 1085 NZ LYS A 75 1.984 3.954 -17.187 1.00 0.00 N ATOM 0 H LYS A 75 4.628 2.411 -11.201 1.00 0.00 H new ATOM 0 HA LYS A 75 4.029 -0.030 -12.613 1.00 0.00 H new ATOM 0 HB2 LYS A 75 5.361 2.560 -13.478 1.00 0.00 H new ATOM 0 HB3 LYS A 75 5.217 1.169 -14.534 1.00 0.00 H new ATOM 0 HG2 LYS A 75 2.709 1.267 -14.213 1.00 0.00 H new ATOM 0 HG3 LYS A 75 2.929 2.754 -13.311 1.00 0.00 H new ATOM 0 HD2 LYS A 75 3.957 3.840 -15.259 1.00 0.00 H new ATOM 0 HD3 LYS A 75 3.906 2.341 -16.165 1.00 0.00 H new ATOM 0 HE2 LYS A 75 1.401 2.341 -15.960 1.00 0.00 H new ATOM 0 HE3 LYS A 75 1.491 3.885 -15.138 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 1.005 4.162 -17.470 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 2.517 4.843 -17.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 2.430 3.347 -17.904 1.00 0.00 H new ATOM 1099 N ASP A 76 6.886 0.312 -11.375 1.00 0.00 N ATOM 1100 CA ASP A 76 8.167 -0.354 -11.271 1.00 0.00 C ATOM 1101 C ASP A 76 8.551 -0.549 -9.821 1.00 0.00 C ATOM 1102 O ASP A 76 8.489 -1.651 -9.305 1.00 0.00 O ATOM 1103 CB ASP A 76 9.257 0.432 -12.035 1.00 0.00 C ATOM 1104 CG ASP A 76 10.596 -0.284 -12.169 1.00 0.00 C ATOM 1105 OD1 ASP A 76 11.377 -0.345 -11.207 1.00 0.00 O ATOM 1106 OD2 ASP A 76 10.922 -0.733 -13.290 1.00 0.00 O ATOM 0 H ASP A 76 6.684 0.992 -10.642 1.00 0.00 H new ATOM 0 HA ASP A 76 8.080 -1.338 -11.731 1.00 0.00 H new ATOM 0 HB2 ASP A 76 8.884 0.663 -13.033 1.00 0.00 H new ATOM 0 HB3 ASP A 76 9.420 1.383 -11.528 1.00 0.00 H new ATOM 1111 N GLU A 77 8.918 0.510 -9.163 1.00 0.00 N ATOM 1112 CA GLU A 77 9.255 0.452 -7.765 1.00 0.00 C ATOM 1113 C GLU A 77 9.022 1.801 -7.128 1.00 0.00 C ATOM 1114 O GLU A 77 8.312 1.902 -6.134 1.00 0.00 O ATOM 1115 CB GLU A 77 10.696 -0.051 -7.543 1.00 0.00 C ATOM 1116 CG GLU A 77 11.770 0.706 -8.302 1.00 0.00 C ATOM 1117 CD GLU A 77 13.159 0.230 -8.020 1.00 0.00 C ATOM 1118 OE1 GLU A 77 13.321 -0.841 -7.424 1.00 0.00 O ATOM 1119 OE2 GLU A 77 14.122 0.949 -8.367 1.00 0.00 O ATOM 0 H GLU A 77 8.993 1.439 -9.576 1.00 0.00 H new ATOM 0 HA GLU A 77 8.603 -0.274 -7.280 1.00 0.00 H new ATOM 0 HB2 GLU A 77 10.922 0.001 -6.478 1.00 0.00 H new ATOM 0 HB3 GLU A 77 10.745 -1.102 -7.828 1.00 0.00 H new ATOM 0 HG2 GLU A 77 11.576 0.618 -9.371 1.00 0.00 H new ATOM 0 HG3 GLU A 77 11.701 1.765 -8.051 1.00 0.00 H new ATOM 1126 N GLU A 78 9.681 2.818 -7.693 1.00 0.00 N ATOM 1127 CA GLU A 78 9.550 4.243 -7.397 1.00 0.00 C ATOM 1128 C GLU A 78 9.693 4.663 -5.933 1.00 0.00 C ATOM 1129 O GLU A 78 9.656 5.833 -5.654 1.00 0.00 O ATOM 1130 CB GLU A 78 8.280 4.815 -8.028 1.00 0.00 C ATOM 1131 CG GLU A 78 8.312 4.920 -9.570 1.00 0.00 C ATOM 1132 CD GLU A 78 8.375 3.592 -10.284 1.00 0.00 C ATOM 1133 OE1 GLU A 78 9.474 2.993 -10.360 1.00 0.00 O ATOM 1134 OE2 GLU A 78 7.331 3.125 -10.775 1.00 0.00 O ATOM 0 H GLU A 78 10.372 2.650 -8.425 1.00 0.00 H new ATOM 0 HA GLU A 78 10.430 4.687 -7.862 1.00 0.00 H new ATOM 0 HB2 GLU A 78 7.435 4.191 -7.738 1.00 0.00 H new ATOM 0 HB3 GLU A 78 8.101 5.807 -7.614 1.00 0.00 H new ATOM 0 HG2 GLU A 78 7.424 5.457 -9.904 1.00 0.00 H new ATOM 0 HG3 GLU A 78 9.175 5.518 -9.864 1.00 0.00 H new ATOM 1141 N ARG A 79 9.958 3.716 -5.044 1.00 0.00 N ATOM 1142 CA ARG A 79 9.972 3.900 -3.592 1.00 0.00 C ATOM 1143 C ARG A 79 9.916 2.595 -2.879 1.00 0.00 C ATOM 1144 O ARG A 79 10.343 2.522 -1.772 1.00 0.00 O ATOM 1145 CB ARG A 79 8.842 4.778 -3.063 1.00 0.00 C ATOM 1146 CG ARG A 79 9.331 6.143 -2.727 1.00 0.00 C ATOM 1147 CD ARG A 79 8.281 7.031 -2.156 1.00 0.00 C ATOM 1148 NE ARG A 79 8.851 8.346 -1.973 1.00 0.00 N ATOM 1149 CZ ARG A 79 8.299 9.372 -1.385 1.00 0.00 C ATOM 1150 NH1 ARG A 79 7.063 9.300 -0.903 1.00 0.00 N ATOM 1151 NH2 ARG A 79 8.985 10.501 -1.289 1.00 0.00 N ATOM 0 H ARG A 79 10.178 2.759 -5.321 1.00 0.00 H new ATOM 0 HA ARG A 79 10.914 4.411 -3.393 1.00 0.00 H new ATOM 0 HB2 ARG A 79 8.051 4.846 -3.810 1.00 0.00 H new ATOM 0 HB3 ARG A 79 8.405 4.317 -2.177 1.00 0.00 H new ATOM 0 HG2 ARG A 79 10.151 6.060 -2.014 1.00 0.00 H new ATOM 0 HG3 ARG A 79 9.736 6.606 -3.627 1.00 0.00 H new ATOM 0 HD2 ARG A 79 7.420 7.079 -2.823 1.00 0.00 H new ATOM 0 HD3 ARG A 79 7.925 6.635 -1.205 1.00 0.00 H new ATOM 0 HE ARG A 79 9.790 8.488 -2.345 1.00 0.00 H new ATOM 0 HH11 ARG A 79 6.531 8.434 -0.990 1.00 0.00 H new ATOM 0 HH12 ARG A 79 6.646 10.111 -0.446 1.00 0.00 H new ATOM 0 HH21 ARG A 79 9.929 10.558 -1.671 1.00 0.00 H new ATOM 0 HH22 ARG A 79 8.569 11.313 -0.833 1.00 0.00 H new ATOM 1165 N HIS A 80 9.324 1.569 -3.521 1.00 0.00 N ATOM 1166 CA HIS A 80 9.186 0.207 -2.913 1.00 0.00 C ATOM 1167 C HIS A 80 8.457 0.226 -1.607 1.00 0.00 C ATOM 1168 O HIS A 80 8.503 -0.751 -0.877 1.00 0.00 O ATOM 1169 CB HIS A 80 10.508 -0.506 -2.677 1.00 0.00 C ATOM 1170 CG HIS A 80 11.053 -1.281 -3.808 1.00 0.00 C ATOM 1171 ND1 HIS A 80 10.458 -2.418 -4.291 1.00 0.00 N ATOM 1172 CD2 HIS A 80 12.161 -1.108 -4.529 1.00 0.00 C ATOM 1173 CE1 HIS A 80 11.192 -2.909 -5.272 1.00 0.00 C ATOM 1174 NE2 HIS A 80 12.232 -2.125 -5.429 1.00 0.00 N ATOM 0 H HIS A 80 8.931 1.645 -4.459 1.00 0.00 H new ATOM 0 HA HIS A 80 8.614 -0.339 -3.663 1.00 0.00 H new ATOM 0 HB2 HIS A 80 11.249 0.238 -2.386 1.00 0.00 H new ATOM 0 HB3 HIS A 80 10.384 -1.181 -1.830 1.00 0.00 H new ATOM 0 HD1 HIS A 80 9.586 -2.821 -3.947 1.00 0.00 H new ATOM 0 HD2 HIS A 80 12.874 -0.304 -4.418 1.00 0.00 H new ATOM 0 HE1 HIS A 80 10.975 -3.799 -5.844 1.00 0.00 H new ATOM 0 HE2 HIS A 80 12.975 -2.257 -6.116 1.00 0.00 H new ATOM 1183 N VAL A 81 7.714 1.304 -1.363 1.00 0.00 N ATOM 1184 CA VAL A 81 6.998 1.496 -0.112 1.00 0.00 C ATOM 1185 C VAL A 81 6.022 0.373 0.183 1.00 0.00 C ATOM 1186 O VAL A 81 5.531 0.245 1.300 1.00 0.00 O ATOM 1187 CB VAL A 81 6.314 2.900 -0.003 1.00 0.00 C ATOM 1188 CG1 VAL A 81 7.344 3.996 0.241 1.00 0.00 C ATOM 1189 CG2 VAL A 81 5.538 3.225 -1.256 1.00 0.00 C ATOM 0 H VAL A 81 7.594 2.067 -2.030 1.00 0.00 H new ATOM 0 HA VAL A 81 7.763 1.464 0.664 1.00 0.00 H new ATOM 0 HB VAL A 81 5.629 2.857 0.844 1.00 0.00 H new ATOM 0 HG11 VAL A 81 6.840 4.960 0.312 1.00 0.00 H new ATOM 0 HG12 VAL A 81 7.876 3.795 1.171 1.00 0.00 H new ATOM 0 HG13 VAL A 81 8.054 4.018 -0.586 1.00 0.00 H new ATOM 0 HG21 VAL A 81 5.074 4.206 -1.152 1.00 0.00 H new ATOM 0 HG22 VAL A 81 6.214 3.232 -2.111 1.00 0.00 H new ATOM 0 HG23 VAL A 81 4.765 2.472 -1.411 1.00 0.00 H new ATOM 1199 N GLY A 82 5.722 -0.420 -0.821 1.00 0.00 N ATOM 1200 CA GLY A 82 4.916 -1.551 -0.639 1.00 0.00 C ATOM 1201 C GLY A 82 3.985 -1.755 -1.756 1.00 0.00 C ATOM 1202 O GLY A 82 4.393 -1.767 -2.911 1.00 0.00 O ATOM 0 H GLY A 82 6.043 -0.277 -1.779 1.00 0.00 H new ATOM 0 HA2 GLY A 82 5.549 -2.432 -0.530 1.00 0.00 H new ATOM 0 HA3 GLY A 82 4.352 -1.447 0.288 1.00 0.00 H new ATOM 1206 N ASP A 83 2.733 -1.862 -1.426 1.00 0.00 N ATOM 1207 CA ASP A 83 1.704 -2.172 -2.383 1.00 0.00 C ATOM 1208 C ASP A 83 1.277 -0.910 -3.146 1.00 0.00 C ATOM 1209 O ASP A 83 0.404 -0.113 -2.719 1.00 0.00 O ATOM 1210 CB ASP A 83 0.557 -2.856 -1.626 1.00 0.00 C ATOM 1211 CG ASP A 83 -0.675 -3.172 -2.432 1.00 0.00 C ATOM 1212 OD1 ASP A 83 -0.608 -3.243 -3.669 1.00 0.00 O ATOM 1213 OD2 ASP A 83 -1.757 -3.294 -1.797 1.00 0.00 O ATOM 0 H ASP A 83 2.389 -1.736 -0.474 1.00 0.00 H new ATOM 0 HA ASP A 83 2.064 -2.858 -3.150 1.00 0.00 H new ATOM 0 HB2 ASP A 83 0.934 -3.785 -1.198 1.00 0.00 H new ATOM 0 HB3 ASP A 83 0.267 -2.216 -0.793 1.00 0.00 H new ATOM 1218 N LEU A 84 1.996 -0.669 -4.198 1.00 0.00 N ATOM 1219 CA LEU A 84 1.761 0.419 -5.108 1.00 0.00 C ATOM 1220 C LEU A 84 1.006 -0.064 -6.318 1.00 0.00 C ATOM 1221 O LEU A 84 1.594 -0.491 -7.328 1.00 0.00 O ATOM 1222 CB LEU A 84 3.083 1.072 -5.522 1.00 0.00 C ATOM 1223 CG LEU A 84 3.897 1.711 -4.400 1.00 0.00 C ATOM 1224 CD1 LEU A 84 5.237 2.193 -4.921 1.00 0.00 C ATOM 1225 CD2 LEU A 84 3.124 2.864 -3.787 1.00 0.00 C ATOM 0 H LEU A 84 2.796 -1.245 -4.460 1.00 0.00 H new ATOM 0 HA LEU A 84 1.156 1.170 -4.600 1.00 0.00 H new ATOM 0 HB2 LEU A 84 3.701 0.317 -6.007 1.00 0.00 H new ATOM 0 HB3 LEU A 84 2.869 1.837 -6.269 1.00 0.00 H new ATOM 0 HG LEU A 84 4.078 0.960 -3.631 1.00 0.00 H new ATOM 0 HD11 LEU A 84 5.803 2.645 -4.107 1.00 0.00 H new ATOM 0 HD12 LEU A 84 5.795 1.349 -5.325 1.00 0.00 H new ATOM 0 HD13 LEU A 84 5.078 2.932 -5.706 1.00 0.00 H new ATOM 0 HD21 LEU A 84 3.713 3.313 -2.988 1.00 0.00 H new ATOM 0 HD22 LEU A 84 2.920 3.613 -4.552 1.00 0.00 H new ATOM 0 HD23 LEU A 84 2.182 2.495 -3.380 1.00 0.00 H new ATOM 1237 N GLY A 85 -0.275 -0.007 -6.190 1.00 0.00 N ATOM 1238 CA GLY A 85 -1.181 -0.434 -7.191 1.00 0.00 C ATOM 1239 C GLY A 85 -2.398 0.429 -7.141 1.00 0.00 C ATOM 1240 O GLY A 85 -2.433 1.370 -6.364 1.00 0.00 O ATOM 0 H GLY A 85 -0.734 0.352 -5.353 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -0.714 -0.371 -8.174 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -1.452 -1.478 -7.034 1.00 0.00 H new ATOM 1244 N ASN A 86 -3.375 0.145 -7.951 1.00 0.00 N ATOM 1245 CA ASN A 86 -4.605 0.936 -7.992 1.00 0.00 C ATOM 1246 C ASN A 86 -5.659 0.392 -7.040 1.00 0.00 C ATOM 1247 O ASN A 86 -5.579 -0.759 -6.629 1.00 0.00 O ATOM 1248 CB ASN A 86 -5.168 1.056 -9.441 1.00 0.00 C ATOM 1249 CG ASN A 86 -5.397 -0.289 -10.164 1.00 0.00 C ATOM 1250 OD1 ASN A 86 -4.682 -1.264 -9.940 1.00 0.00 O ATOM 1251 ND2 ASN A 86 -6.354 -0.331 -11.058 1.00 0.00 N ATOM 0 H ASN A 86 -3.358 -0.636 -8.607 1.00 0.00 H new ATOM 0 HA ASN A 86 -4.344 1.939 -7.656 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -6.113 1.597 -9.404 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -4.479 1.658 -10.034 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -6.520 -1.187 -11.587 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -6.933 0.492 -11.224 1.00 0.00 H new ATOM 1258 N VAL A 87 -6.602 1.269 -6.600 1.00 0.00 N ATOM 1259 CA VAL A 87 -7.774 0.872 -5.793 1.00 0.00 C ATOM 1260 C VAL A 87 -8.991 1.674 -6.174 1.00 0.00 C ATOM 1261 O VAL A 87 -8.945 2.889 -6.236 1.00 0.00 O ATOM 1262 CB VAL A 87 -7.612 1.039 -4.243 1.00 0.00 C ATOM 1263 CG1 VAL A 87 -6.865 -0.100 -3.623 1.00 0.00 C ATOM 1264 CG2 VAL A 87 -6.962 2.373 -3.881 1.00 0.00 C ATOM 0 H VAL A 87 -6.565 2.269 -6.798 1.00 0.00 H new ATOM 0 HA VAL A 87 -7.878 -0.190 -6.015 1.00 0.00 H new ATOM 0 HB VAL A 87 -8.620 1.032 -3.829 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -6.779 0.063 -2.549 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -7.402 -1.031 -3.807 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -5.869 -0.163 -4.061 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -6.868 2.450 -2.798 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -5.973 2.431 -4.336 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -7.580 3.191 -4.250 1.00 0.00 H new ATOM 1274 N THR A 88 -10.047 0.990 -6.445 1.00 0.00 N ATOM 1275 CA THR A 88 -11.297 1.557 -6.662 1.00 0.00 C ATOM 1276 C THR A 88 -12.348 0.633 -6.021 1.00 0.00 C ATOM 1277 O THR A 88 -12.703 -0.405 -6.571 1.00 0.00 O ATOM 1278 CB THR A 88 -11.567 1.858 -8.182 1.00 0.00 C ATOM 1279 OG1 THR A 88 -12.864 2.436 -8.355 1.00 0.00 O ATOM 1280 CG2 THR A 88 -11.412 0.622 -9.080 1.00 0.00 C ATOM 0 H THR A 88 -10.044 -0.027 -6.521 1.00 0.00 H new ATOM 0 HA THR A 88 -11.351 2.538 -6.189 1.00 0.00 H new ATOM 0 HB THR A 88 -10.804 2.571 -8.496 1.00 0.00 H new ATOM 0 HG1 THR A 88 -13.072 3.008 -7.587 1.00 0.00 H new ATOM 0 HG21 THR A 88 -11.612 0.897 -10.116 1.00 0.00 H new ATOM 0 HG22 THR A 88 -10.396 0.237 -8.996 1.00 0.00 H new ATOM 0 HG23 THR A 88 -12.118 -0.147 -8.766 1.00 0.00 H new ATOM 1288 N ALA A 89 -12.743 0.942 -4.818 1.00 0.00 N ATOM 1289 CA ALA A 89 -13.747 0.183 -4.144 1.00 0.00 C ATOM 1290 C ALA A 89 -15.017 0.881 -4.366 1.00 0.00 C ATOM 1291 O ALA A 89 -15.073 2.060 -4.138 1.00 0.00 O ATOM 1292 CB ALA A 89 -13.445 0.088 -2.654 1.00 0.00 C ATOM 0 H ALA A 89 -12.376 1.728 -4.281 1.00 0.00 H new ATOM 0 HA ALA A 89 -13.785 -0.837 -4.527 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -14.223 -0.495 -2.161 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -12.481 -0.399 -2.509 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -13.415 1.089 -2.224 1.00 0.00 H new ATOM 1298 N ASP A 90 -15.964 0.186 -4.936 1.00 0.00 N ATOM 1299 CA ASP A 90 -17.313 0.707 -5.185 1.00 0.00 C ATOM 1300 C ASP A 90 -17.963 1.261 -3.874 1.00 0.00 C ATOM 1301 O ASP A 90 -17.421 1.078 -2.800 1.00 0.00 O ATOM 1302 CB ASP A 90 -18.159 -0.396 -5.885 1.00 0.00 C ATOM 1303 CG ASP A 90 -19.604 -0.053 -6.118 1.00 0.00 C ATOM 1304 OD1 ASP A 90 -19.912 0.646 -7.104 1.00 0.00 O ATOM 1305 OD2 ASP A 90 -20.454 -0.514 -5.353 1.00 0.00 O ATOM 0 H ASP A 90 -15.834 -0.775 -5.252 1.00 0.00 H new ATOM 0 HA ASP A 90 -17.265 1.563 -5.858 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -17.699 -0.627 -6.846 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -18.112 -1.303 -5.282 1.00 0.00 H new ATOM 1310 N LYS A 91 -19.096 1.949 -4.002 1.00 0.00 N ATOM 1311 CA LYS A 91 -19.829 2.648 -2.898 1.00 0.00 C ATOM 1312 C LYS A 91 -19.942 1.901 -1.529 1.00 0.00 C ATOM 1313 O LYS A 91 -20.140 2.530 -0.504 1.00 0.00 O ATOM 1314 CB LYS A 91 -21.205 3.111 -3.388 1.00 0.00 C ATOM 1315 CG LYS A 91 -22.057 2.009 -3.994 1.00 0.00 C ATOM 1316 CD LYS A 91 -23.390 2.547 -4.467 1.00 0.00 C ATOM 1317 CE LYS A 91 -24.238 1.464 -5.098 1.00 0.00 C ATOM 1318 NZ LYS A 91 -25.560 1.979 -5.497 1.00 0.00 N ATOM 0 H LYS A 91 -19.563 2.051 -4.903 1.00 0.00 H new ATOM 0 HA LYS A 91 -19.192 3.499 -2.658 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -21.746 3.553 -2.551 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -21.068 3.897 -4.130 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -21.527 1.555 -4.831 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -22.220 1.224 -3.256 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -23.926 2.984 -3.624 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -23.224 3.347 -5.189 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -23.725 1.060 -5.971 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -24.364 0.642 -4.394 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -26.116 1.212 -5.926 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -26.059 2.342 -4.659 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -25.439 2.747 -6.188 1.00 0.00 H new ATOM 1332 N ASP A 92 -19.837 0.611 -1.545 1.00 0.00 N ATOM 1333 CA ASP A 92 -19.761 -0.233 -0.325 1.00 0.00 C ATOM 1334 C ASP A 92 -19.020 -1.477 -0.774 1.00 0.00 C ATOM 1335 O ASP A 92 -18.967 -2.520 -0.113 1.00 0.00 O ATOM 1336 CB ASP A 92 -21.194 -0.582 0.178 1.00 0.00 C ATOM 1337 CG ASP A 92 -21.229 -1.443 1.438 1.00 0.00 C ATOM 1338 OD1 ASP A 92 -20.985 -0.922 2.554 1.00 0.00 O ATOM 1339 OD2 ASP A 92 -21.539 -2.667 1.340 1.00 0.00 O ATOM 0 H ASP A 92 -19.798 0.072 -2.410 1.00 0.00 H new ATOM 0 HA ASP A 92 -19.258 0.264 0.504 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -21.734 0.345 0.371 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -21.728 -1.102 -0.617 1.00 0.00 H new ATOM 1344 N GLY A 93 -18.305 -1.250 -1.848 1.00 0.00 N ATOM 1345 CA GLY A 93 -17.825 -2.299 -2.720 1.00 0.00 C ATOM 1346 C GLY A 93 -16.567 -2.999 -2.364 1.00 0.00 C ATOM 1347 O GLY A 93 -16.435 -3.498 -1.304 1.00 0.00 O ATOM 0 H GLY A 93 -18.034 -0.314 -2.148 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -18.611 -3.050 -2.798 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -17.695 -1.870 -3.713 1.00 0.00 H new ATOM 1351 N VAL A 94 -15.651 -3.044 -3.319 1.00 0.00 N ATOM 1352 CA VAL A 94 -14.448 -3.833 -3.272 1.00 0.00 C ATOM 1353 C VAL A 94 -13.488 -3.280 -4.273 1.00 0.00 C ATOM 1354 O VAL A 94 -13.898 -2.891 -5.368 1.00 0.00 O ATOM 1355 CB VAL A 94 -14.656 -5.374 -3.561 1.00 0.00 C ATOM 1356 CG1 VAL A 94 -15.232 -6.110 -2.360 1.00 0.00 C ATOM 1357 CG2 VAL A 94 -15.546 -5.596 -4.784 1.00 0.00 C ATOM 0 H VAL A 94 -15.737 -2.506 -4.181 1.00 0.00 H new ATOM 0 HA VAL A 94 -14.074 -3.769 -2.250 1.00 0.00 H new ATOM 0 HB VAL A 94 -13.668 -5.786 -3.766 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -15.357 -7.165 -2.605 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -14.552 -6.013 -1.513 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -16.199 -5.681 -2.100 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -15.669 -6.665 -4.955 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -16.522 -5.142 -4.611 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -15.083 -5.139 -5.659 1.00 0.00 H new ATOM 1367 N ALA A 95 -12.263 -3.159 -3.898 1.00 0.00 N ATOM 1368 CA ALA A 95 -11.247 -2.767 -4.823 1.00 0.00 C ATOM 1369 C ALA A 95 -10.481 -3.988 -5.210 1.00 0.00 C ATOM 1370 O ALA A 95 -9.818 -4.585 -4.373 1.00 0.00 O ATOM 1371 CB ALA A 95 -10.319 -1.731 -4.220 1.00 0.00 C ATOM 0 H ALA A 95 -11.933 -3.327 -2.947 1.00 0.00 H new ATOM 0 HA ALA A 95 -11.709 -2.311 -5.699 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -9.558 -1.455 -4.950 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -10.893 -0.847 -3.942 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -9.838 -2.145 -3.334 1.00 0.00 H new ATOM 1377 N ASP A 96 -10.617 -4.393 -6.444 1.00 0.00 N ATOM 1378 CA ASP A 96 -9.903 -5.556 -6.938 1.00 0.00 C ATOM 1379 C ASP A 96 -8.470 -5.212 -7.157 1.00 0.00 C ATOM 1380 O ASP A 96 -8.103 -4.645 -8.206 1.00 0.00 O ATOM 1381 CB ASP A 96 -10.486 -6.115 -8.244 1.00 0.00 C ATOM 1382 CG ASP A 96 -11.851 -6.712 -8.107 1.00 0.00 C ATOM 1383 OD1 ASP A 96 -11.959 -7.869 -7.658 1.00 0.00 O ATOM 1384 OD2 ASP A 96 -12.852 -6.049 -8.482 1.00 0.00 O ATOM 0 H ASP A 96 -11.216 -3.938 -7.133 1.00 0.00 H new ATOM 0 HA ASP A 96 -10.007 -6.330 -6.177 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -10.526 -5.314 -8.982 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -9.808 -6.874 -8.634 1.00 0.00 H new ATOM 1389 N VAL A 97 -7.668 -5.462 -6.172 1.00 0.00 N ATOM 1390 CA VAL A 97 -6.278 -5.207 -6.298 1.00 0.00 C ATOM 1391 C VAL A 97 -5.547 -6.429 -6.795 1.00 0.00 C ATOM 1392 O VAL A 97 -5.518 -7.479 -6.151 1.00 0.00 O ATOM 1393 CB VAL A 97 -5.618 -4.596 -5.018 1.00 0.00 C ATOM 1394 CG1 VAL A 97 -6.262 -3.281 -4.692 1.00 0.00 C ATOM 1395 CG2 VAL A 97 -5.701 -5.513 -3.816 1.00 0.00 C ATOM 0 H VAL A 97 -7.957 -5.843 -5.271 1.00 0.00 H new ATOM 0 HA VAL A 97 -6.183 -4.425 -7.051 1.00 0.00 H new ATOM 0 HB VAL A 97 -4.561 -4.456 -5.243 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -5.798 -2.860 -3.800 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -6.130 -2.594 -5.528 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -7.326 -3.432 -4.511 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -5.226 -5.034 -2.960 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -6.747 -5.716 -3.585 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -5.190 -6.450 -4.037 1.00 0.00 H new ATOM 1405 N SER A 98 -5.069 -6.307 -7.987 1.00 0.00 N ATOM 1406 CA SER A 98 -4.255 -7.280 -8.605 1.00 0.00 C ATOM 1407 C SER A 98 -3.360 -6.506 -9.534 1.00 0.00 C ATOM 1408 O SER A 98 -3.794 -6.018 -10.583 1.00 0.00 O ATOM 1409 CB SER A 98 -5.116 -8.310 -9.378 1.00 0.00 C ATOM 1410 OG SER A 98 -4.350 -9.419 -9.872 1.00 0.00 O ATOM 0 H SER A 98 -5.246 -5.492 -8.575 1.00 0.00 H new ATOM 0 HA SER A 98 -3.680 -7.856 -7.880 1.00 0.00 H new ATOM 0 HB2 SER A 98 -5.904 -8.682 -8.723 1.00 0.00 H new ATOM 0 HB3 SER A 98 -5.606 -7.812 -10.215 1.00 0.00 H new ATOM 0 HG SER A 98 -3.474 -9.102 -10.177 1.00 0.00 H new ATOM 1416 N ILE A 99 -2.159 -6.294 -9.099 1.00 0.00 N ATOM 1417 CA ILE A 99 -1.172 -5.592 -9.867 1.00 0.00 C ATOM 1418 C ILE A 99 0.054 -6.448 -9.839 1.00 0.00 C ATOM 1419 O ILE A 99 0.597 -6.711 -8.772 1.00 0.00 O ATOM 1420 CB ILE A 99 -0.808 -4.166 -9.282 1.00 0.00 C ATOM 1421 CG1 ILE A 99 -2.030 -3.219 -9.175 1.00 0.00 C ATOM 1422 CG2 ILE A 99 0.288 -3.497 -10.110 1.00 0.00 C ATOM 1423 CD1 ILE A 99 -2.964 -3.487 -8.002 1.00 0.00 C ATOM 0 H ILE A 99 -1.828 -6.607 -8.186 1.00 0.00 H new ATOM 0 HA ILE A 99 -1.564 -5.417 -10.869 1.00 0.00 H new ATOM 0 HB ILE A 99 -0.446 -4.345 -8.269 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -1.668 -2.193 -9.102 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -2.605 -3.289 -10.098 1.00 0.00 H new ATOM 0 HG21 ILE A 99 0.519 -2.519 -9.686 1.00 0.00 H new ATOM 0 HG22 ILE A 99 1.184 -4.118 -10.098 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -0.055 -3.375 -11.137 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -3.785 -2.770 -8.019 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -3.364 -4.498 -8.079 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -2.413 -3.385 -7.067 1.00 0.00 H new ATOM 1435 N GLU A 100 0.493 -6.893 -10.974 1.00 0.00 N ATOM 1436 CA GLU A 100 1.601 -7.776 -10.983 1.00 0.00 C ATOM 1437 C GLU A 100 2.835 -7.066 -11.497 1.00 0.00 C ATOM 1438 O GLU A 100 3.003 -6.891 -12.705 1.00 0.00 O ATOM 1439 CB GLU A 100 1.321 -9.041 -11.836 1.00 0.00 C ATOM 1440 CG GLU A 100 0.119 -9.908 -11.407 1.00 0.00 C ATOM 1441 CD GLU A 100 -1.231 -9.292 -11.694 1.00 0.00 C ATOM 1442 OE1 GLU A 100 -1.595 -9.160 -12.880 1.00 0.00 O ATOM 1443 OE2 GLU A 100 -1.952 -8.930 -10.767 1.00 0.00 O ATOM 0 H GLU A 100 0.105 -6.661 -11.888 1.00 0.00 H new ATOM 0 HA GLU A 100 1.772 -8.098 -9.956 1.00 0.00 H new ATOM 0 HB2 GLU A 100 1.165 -8.729 -12.869 1.00 0.00 H new ATOM 0 HB3 GLU A 100 2.214 -9.666 -11.823 1.00 0.00 H new ATOM 0 HG2 GLU A 100 0.181 -10.870 -11.916 1.00 0.00 H new ATOM 0 HG3 GLU A 100 0.194 -10.107 -10.338 1.00 0.00 H new ATOM 1450 N ASP A 101 3.665 -6.630 -10.576 1.00 0.00 N ATOM 1451 CA ASP A 101 4.962 -6.050 -10.886 1.00 0.00 C ATOM 1452 C ASP A 101 5.736 -6.009 -9.583 1.00 0.00 C ATOM 1453 O ASP A 101 5.133 -6.163 -8.524 1.00 0.00 O ATOM 1454 CB ASP A 101 4.857 -4.648 -11.500 1.00 0.00 C ATOM 1455 CG ASP A 101 6.063 -4.347 -12.366 1.00 0.00 C ATOM 1456 OD1 ASP A 101 7.163 -4.126 -11.836 1.00 0.00 O ATOM 1457 OD2 ASP A 101 5.938 -4.412 -13.615 1.00 0.00 O ATOM 0 H ASP A 101 3.460 -6.667 -9.577 1.00 0.00 H new ATOM 0 HA ASP A 101 5.465 -6.657 -11.639 1.00 0.00 H new ATOM 0 HB2 ASP A 101 3.948 -4.575 -12.097 1.00 0.00 H new ATOM 0 HB3 ASP A 101 4.778 -3.904 -10.707 1.00 0.00 H new ATOM 1462 N SER A 102 7.013 -5.788 -9.605 1.00 0.00 N ATOM 1463 CA SER A 102 7.755 -5.880 -8.374 1.00 0.00 C ATOM 1464 C SER A 102 7.927 -4.533 -7.682 1.00 0.00 C ATOM 1465 O SER A 102 8.962 -3.883 -7.772 1.00 0.00 O ATOM 1466 CB SER A 102 9.084 -6.574 -8.604 1.00 0.00 C ATOM 1467 OG SER A 102 8.865 -7.869 -9.133 1.00 0.00 O ATOM 0 H SER A 102 7.557 -5.549 -10.434 1.00 0.00 H new ATOM 0 HA SER A 102 7.166 -6.489 -7.688 1.00 0.00 H new ATOM 0 HB2 SER A 102 9.696 -5.989 -9.291 1.00 0.00 H new ATOM 0 HB3 SER A 102 9.635 -6.643 -7.666 1.00 0.00 H new ATOM 0 HG SER A 102 7.903 -8.056 -9.153 1.00 0.00 H new ATOM 1473 N VAL A 103 6.898 -4.124 -6.988 1.00 0.00 N ATOM 1474 CA VAL A 103 6.946 -2.899 -6.215 1.00 0.00 C ATOM 1475 C VAL A 103 7.075 -3.229 -4.731 1.00 0.00 C ATOM 1476 O VAL A 103 7.578 -2.438 -3.948 1.00 0.00 O ATOM 1477 CB VAL A 103 5.687 -1.994 -6.458 1.00 0.00 C ATOM 1478 CG1 VAL A 103 5.620 -1.522 -7.899 1.00 0.00 C ATOM 1479 CG2 VAL A 103 4.397 -2.723 -6.095 1.00 0.00 C ATOM 0 H VAL A 103 6.009 -4.621 -6.939 1.00 0.00 H new ATOM 0 HA VAL A 103 7.818 -2.335 -6.546 1.00 0.00 H new ATOM 0 HB VAL A 103 5.789 -1.125 -5.808 1.00 0.00 H new ATOM 0 HG11 VAL A 103 4.737 -0.897 -8.037 1.00 0.00 H new ATOM 0 HG12 VAL A 103 6.514 -0.944 -8.135 1.00 0.00 H new ATOM 0 HG13 VAL A 103 5.561 -2.385 -8.562 1.00 0.00 H new ATOM 0 HG21 VAL A 103 3.545 -2.067 -6.275 1.00 0.00 H new ATOM 0 HG22 VAL A 103 4.301 -3.619 -6.708 1.00 0.00 H new ATOM 0 HG23 VAL A 103 4.422 -3.004 -5.042 1.00 0.00 H new ATOM 1489 N ILE A 104 6.734 -4.461 -4.403 1.00 0.00 N ATOM 1490 CA ILE A 104 6.597 -4.927 -3.030 1.00 0.00 C ATOM 1491 C ILE A 104 7.788 -5.726 -2.565 1.00 0.00 C ATOM 1492 O ILE A 104 7.748 -6.283 -1.475 1.00 0.00 O ATOM 1493 CB ILE A 104 5.351 -5.843 -2.892 1.00 0.00 C ATOM 1494 CG1 ILE A 104 5.417 -6.980 -3.930 1.00 0.00 C ATOM 1495 CG2 ILE A 104 4.057 -5.055 -3.020 1.00 0.00 C ATOM 1496 CD1 ILE A 104 4.260 -7.932 -3.876 1.00 0.00 C ATOM 0 H ILE A 104 6.540 -5.184 -5.096 1.00 0.00 H new ATOM 0 HA ILE A 104 6.506 -4.030 -2.418 1.00 0.00 H new ATOM 0 HB ILE A 104 5.358 -6.280 -1.893 1.00 0.00 H new ATOM 0 HG12 ILE A 104 5.467 -6.543 -4.927 1.00 0.00 H new ATOM 0 HG13 ILE A 104 6.340 -7.540 -3.781 1.00 0.00 H new ATOM 0 HG21 ILE A 104 3.208 -5.731 -2.918 1.00 0.00 H new ATOM 0 HG22 ILE A 104 4.014 -4.297 -2.238 1.00 0.00 H new ATOM 0 HG23 ILE A 104 4.021 -4.571 -3.996 1.00 0.00 H new ATOM 0 HD11 ILE A 104 4.385 -8.700 -4.639 1.00 0.00 H new ATOM 0 HD12 ILE A 104 4.220 -8.400 -2.893 1.00 0.00 H new ATOM 0 HD13 ILE A 104 3.333 -7.388 -4.057 1.00 0.00 H new ATOM 1508 N SER A 105 8.835 -5.766 -3.364 1.00 0.00 N ATOM 1509 CA SER A 105 9.984 -6.567 -3.053 1.00 0.00 C ATOM 1510 C SER A 105 10.753 -6.066 -1.792 1.00 0.00 C ATOM 1511 O SER A 105 10.492 -4.986 -1.230 1.00 0.00 O ATOM 1512 CB SER A 105 10.897 -6.524 -4.268 1.00 0.00 C ATOM 1513 OG SER A 105 10.143 -6.744 -5.457 1.00 0.00 O ATOM 0 H SER A 105 8.906 -5.246 -4.239 1.00 0.00 H new ATOM 0 HA SER A 105 9.657 -7.581 -2.821 1.00 0.00 H new ATOM 0 HB2 SER A 105 11.399 -5.558 -4.321 1.00 0.00 H new ATOM 0 HB3 SER A 105 11.674 -7.283 -4.175 1.00 0.00 H new ATOM 0 HG SER A 105 10.735 -7.080 -6.162 1.00 0.00 H new ATOM 1519 N LEU A 106 11.636 -6.907 -1.339 1.00 0.00 N ATOM 1520 CA LEU A 106 12.451 -6.682 -0.216 1.00 0.00 C ATOM 1521 C LEU A 106 13.573 -5.768 -0.623 1.00 0.00 C ATOM 1522 O LEU A 106 14.634 -6.198 -1.082 1.00 0.00 O ATOM 1523 CB LEU A 106 13.013 -8.047 0.282 1.00 0.00 C ATOM 1524 CG LEU A 106 13.572 -8.166 1.731 1.00 0.00 C ATOM 1525 CD1 LEU A 106 13.988 -9.591 2.006 1.00 0.00 C ATOM 1526 CD2 LEU A 106 14.747 -7.241 1.995 1.00 0.00 C ATOM 0 H LEU A 106 11.804 -7.812 -1.778 1.00 0.00 H new ATOM 0 HA LEU A 106 11.883 -6.221 0.592 1.00 0.00 H new ATOM 0 HB2 LEU A 106 12.218 -8.785 0.178 1.00 0.00 H new ATOM 0 HB3 LEU A 106 13.811 -8.340 -0.400 1.00 0.00 H new ATOM 0 HG LEU A 106 12.767 -7.865 2.401 1.00 0.00 H new ATOM 0 HD11 LEU A 106 14.378 -9.667 3.021 1.00 0.00 H new ATOM 0 HD12 LEU A 106 13.126 -10.249 1.898 1.00 0.00 H new ATOM 0 HD13 LEU A 106 14.761 -9.888 1.297 1.00 0.00 H new ATOM 0 HD21 LEU A 106 15.090 -7.372 3.021 1.00 0.00 H new ATOM 0 HD22 LEU A 106 15.559 -7.479 1.308 1.00 0.00 H new ATOM 0 HD23 LEU A 106 14.437 -6.207 1.845 1.00 0.00 H new ATOM 1538 N SER A 107 13.271 -4.545 -0.523 1.00 0.00 N ATOM 1539 CA SER A 107 14.136 -3.437 -0.631 1.00 0.00 C ATOM 1540 C SER A 107 13.284 -2.322 -0.186 1.00 0.00 C ATOM 1541 O SER A 107 12.595 -1.711 -0.975 1.00 0.00 O ATOM 1542 CB SER A 107 14.612 -3.156 -2.081 1.00 0.00 C ATOM 1543 OG SER A 107 15.317 -4.248 -2.642 1.00 0.00 O ATOM 0 H SER A 107 12.310 -4.255 -0.344 1.00 0.00 H new ATOM 0 HA SER A 107 15.050 -3.594 -0.058 1.00 0.00 H new ATOM 0 HB2 SER A 107 13.748 -2.926 -2.705 1.00 0.00 H new ATOM 0 HB3 SER A 107 15.252 -2.274 -2.085 1.00 0.00 H new ATOM 0 HG SER A 107 15.456 -4.934 -1.956 1.00 0.00 H new ATOM 1549 N GLY A 108 13.266 -2.120 1.056 1.00 0.00 N ATOM 1550 CA GLY A 108 12.476 -1.055 1.619 1.00 0.00 C ATOM 1551 C GLY A 108 12.181 -1.348 3.051 1.00 0.00 C ATOM 1552 O GLY A 108 12.675 -2.357 3.578 1.00 0.00 O ATOM 0 H GLY A 108 13.788 -2.672 1.737 1.00 0.00 H new ATOM 0 HA2 GLY A 108 13.011 -0.109 1.535 1.00 0.00 H new ATOM 0 HA3 GLY A 108 11.546 -0.946 1.061 1.00 0.00 H new ATOM 1556 N ASP A 109 11.417 -0.500 3.725 1.00 0.00 N ATOM 1557 CA ASP A 109 11.044 -0.836 5.085 1.00 0.00 C ATOM 1558 C ASP A 109 9.852 -1.812 5.067 1.00 0.00 C ATOM 1559 O ASP A 109 9.641 -2.583 6.003 1.00 0.00 O ATOM 1560 CB ASP A 109 10.767 0.390 5.952 1.00 0.00 C ATOM 1561 CG ASP A 109 10.679 0.033 7.427 1.00 0.00 C ATOM 1562 OD1 ASP A 109 11.738 -0.224 8.049 1.00 0.00 O ATOM 1563 OD2 ASP A 109 9.585 0.004 8.000 1.00 0.00 O ATOM 0 H ASP A 109 11.058 0.387 3.370 1.00 0.00 H new ATOM 0 HA ASP A 109 11.898 -1.327 5.552 1.00 0.00 H new ATOM 0 HB2 ASP A 109 11.557 1.126 5.803 1.00 0.00 H new ATOM 0 HB3 ASP A 109 9.834 0.856 5.635 1.00 0.00 H new ATOM 1568 N HIS A 110 9.111 -1.824 3.949 1.00 0.00 N ATOM 1569 CA HIS A 110 8.008 -2.782 3.678 1.00 0.00 C ATOM 1570 C HIS A 110 8.640 -3.982 3.024 1.00 0.00 C ATOM 1571 O HIS A 110 8.104 -4.583 2.109 1.00 0.00 O ATOM 1572 CB HIS A 110 6.967 -2.158 2.709 1.00 0.00 C ATOM 1573 CG HIS A 110 5.701 -2.961 2.449 1.00 0.00 C ATOM 1574 ND1 HIS A 110 5.613 -3.972 1.522 1.00 0.00 N ATOM 1575 CD2 HIS A 110 4.474 -2.867 2.992 1.00 0.00 C ATOM 1576 CE1 HIS A 110 4.399 -4.457 1.511 1.00 0.00 C ATOM 1577 NE2 HIS A 110 3.679 -3.807 2.404 1.00 0.00 N ATOM 0 H HIS A 110 9.257 -1.160 3.189 1.00 0.00 H new ATOM 0 HA HIS A 110 7.490 -3.045 4.600 1.00 0.00 H new ATOM 0 HB2 HIS A 110 6.676 -1.185 3.104 1.00 0.00 H new ATOM 0 HB3 HIS A 110 7.458 -1.980 1.752 1.00 0.00 H new ATOM 0 HD1 HIS A 110 6.379 -4.295 0.932 1.00 0.00 H new ATOM 0 HD2 HIS A 110 4.171 -2.170 3.759 1.00 0.00 H new ATOM 0 HE1 HIS A 110 4.045 -5.256 0.877 1.00 0.00 H new ATOM 1586 N SER A 111 9.756 -4.334 3.526 1.00 0.00 N ATOM 1587 CA SER A 111 10.532 -5.402 2.964 1.00 0.00 C ATOM 1588 C SER A 111 9.755 -6.726 3.055 1.00 0.00 C ATOM 1589 O SER A 111 9.405 -7.360 2.063 1.00 0.00 O ATOM 1590 CB SER A 111 11.856 -5.459 3.725 1.00 0.00 C ATOM 1591 OG SER A 111 11.628 -5.445 5.142 1.00 0.00 O ATOM 0 H SER A 111 10.175 -3.895 4.346 1.00 0.00 H new ATOM 0 HA SER A 111 10.732 -5.230 1.906 1.00 0.00 H new ATOM 0 HB2 SER A 111 12.402 -6.361 3.448 1.00 0.00 H new ATOM 0 HB3 SER A 111 12.480 -4.610 3.444 1.00 0.00 H new ATOM 0 HG SER A 111 12.487 -5.484 5.612 1.00 0.00 H new ATOM 1597 N ILE A 112 9.547 -7.115 4.246 1.00 0.00 N ATOM 1598 CA ILE A 112 8.773 -8.289 4.597 1.00 0.00 C ATOM 1599 C ILE A 112 7.725 -7.934 5.631 1.00 0.00 C ATOM 1600 O ILE A 112 6.688 -8.572 5.736 1.00 0.00 O ATOM 1601 CB ILE A 112 9.668 -9.437 5.198 1.00 0.00 C ATOM 1602 CG1 ILE A 112 10.489 -8.941 6.406 1.00 0.00 C ATOM 1603 CG2 ILE A 112 10.566 -10.066 4.149 1.00 0.00 C ATOM 1604 CD1 ILE A 112 11.327 -10.010 7.079 1.00 0.00 C ATOM 0 H ILE A 112 9.916 -6.620 5.058 1.00 0.00 H new ATOM 0 HA ILE A 112 8.313 -8.643 3.675 1.00 0.00 H new ATOM 0 HB ILE A 112 8.990 -10.213 5.552 1.00 0.00 H new ATOM 0 HG12 ILE A 112 11.146 -8.136 6.077 1.00 0.00 H new ATOM 0 HG13 ILE A 112 9.807 -8.515 7.142 1.00 0.00 H new ATOM 0 HG21 ILE A 112 11.165 -10.853 4.607 1.00 0.00 H new ATOM 0 HG22 ILE A 112 9.954 -10.493 3.355 1.00 0.00 H new ATOM 0 HG23 ILE A 112 11.225 -9.305 3.730 1.00 0.00 H new ATOM 0 HD11 ILE A 112 11.870 -9.573 7.917 1.00 0.00 H new ATOM 0 HD12 ILE A 112 10.677 -10.806 7.443 1.00 0.00 H new ATOM 0 HD13 ILE A 112 12.037 -10.421 6.361 1.00 0.00 H new ATOM 1616 N ILE A 113 7.980 -6.863 6.344 1.00 0.00 N ATOM 1617 CA ILE A 113 7.286 -6.625 7.585 1.00 0.00 C ATOM 1618 C ILE A 113 5.902 -6.015 7.338 1.00 0.00 C ATOM 1619 O ILE A 113 5.608 -5.571 6.206 1.00 0.00 O ATOM 1620 CB ILE A 113 8.157 -5.756 8.559 1.00 0.00 C ATOM 1621 CG1 ILE A 113 9.663 -5.898 8.219 1.00 0.00 C ATOM 1622 CG2 ILE A 113 7.947 -6.251 9.987 1.00 0.00 C ATOM 1623 CD1 ILE A 113 10.595 -5.051 9.069 1.00 0.00 C ATOM 0 H ILE A 113 8.659 -6.147 6.087 1.00 0.00 H new ATOM 0 HA ILE A 113 7.123 -7.585 8.075 1.00 0.00 H new ATOM 0 HB ILE A 113 7.857 -4.713 8.456 1.00 0.00 H new ATOM 0 HG12 ILE A 113 9.947 -6.945 8.327 1.00 0.00 H new ATOM 0 HG13 ILE A 113 9.810 -5.634 7.172 1.00 0.00 H new ATOM 0 HG21 ILE A 113 8.549 -5.653 10.672 1.00 0.00 H new ATOM 0 HG22 ILE A 113 6.894 -6.158 10.253 1.00 0.00 H new ATOM 0 HG23 ILE A 113 8.248 -7.296 10.058 1.00 0.00 H new ATOM 0 HD11 ILE A 113 11.626 -5.219 8.756 1.00 0.00 H new ATOM 0 HD12 ILE A 113 10.345 -3.998 8.944 1.00 0.00 H new ATOM 0 HD13 ILE A 113 10.484 -5.328 10.117 1.00 0.00 H new ATOM 1635 N GLY A 114 5.087 -5.928 8.387 1.00 0.00 N ATOM 1636 CA GLY A 114 3.723 -5.526 8.273 1.00 0.00 C ATOM 1637 C GLY A 114 3.624 -4.055 8.245 1.00 0.00 C ATOM 1638 O GLY A 114 3.225 -3.412 9.201 1.00 0.00 O ATOM 0 H GLY A 114 5.376 -6.141 9.342 1.00 0.00 H new ATOM 0 HA2 GLY A 114 3.288 -5.944 7.365 1.00 0.00 H new ATOM 0 HA3 GLY A 114 3.149 -5.920 9.112 1.00 0.00 H new ATOM 1642 N ARG A 115 4.034 -3.520 7.175 1.00 0.00 N ATOM 1643 CA ARG A 115 4.033 -2.135 6.997 1.00 0.00 C ATOM 1644 C ARG A 115 2.665 -1.666 6.654 1.00 0.00 C ATOM 1645 O ARG A 115 1.940 -2.320 5.914 1.00 0.00 O ATOM 1646 CB ARG A 115 5.102 -1.730 6.018 1.00 0.00 C ATOM 1647 CG ARG A 115 6.444 -1.449 6.672 1.00 0.00 C ATOM 1648 CD ARG A 115 6.902 -2.543 7.623 1.00 0.00 C ATOM 1649 NE ARG A 115 8.037 -2.092 8.409 1.00 0.00 N ATOM 1650 CZ ARG A 115 8.302 -2.386 9.685 1.00 0.00 C ATOM 1651 NH1 ARG A 115 7.437 -3.063 10.429 1.00 0.00 N ATOM 1652 NH2 ARG A 115 9.421 -1.943 10.221 1.00 0.00 N ATOM 0 H ARG A 115 4.389 -4.046 6.377 1.00 0.00 H new ATOM 0 HA ARG A 115 4.292 -1.632 7.929 1.00 0.00 H new ATOM 0 HB2 ARG A 115 5.225 -2.521 5.278 1.00 0.00 H new ATOM 0 HB3 ARG A 115 4.774 -0.840 5.481 1.00 0.00 H new ATOM 0 HG2 ARG A 115 7.197 -1.317 5.894 1.00 0.00 H new ATOM 0 HG3 ARG A 115 6.382 -0.508 7.218 1.00 0.00 H new ATOM 0 HD2 ARG A 115 6.083 -2.824 8.285 1.00 0.00 H new ATOM 0 HD3 ARG A 115 7.175 -3.434 7.057 1.00 0.00 H new ATOM 0 HE ARG A 115 8.705 -1.484 7.935 1.00 0.00 H new ATOM 0 HH11 ARG A 115 6.550 -3.369 10.029 1.00 0.00 H new ATOM 0 HH12 ARG A 115 7.659 -3.277 11.401 1.00 0.00 H new ATOM 0 HH21 ARG A 115 10.068 -1.386 9.663 1.00 0.00 H new ATOM 0 HH22 ARG A 115 9.640 -2.157 11.194 1.00 0.00 H new ATOM 1666 N THR A 116 2.333 -0.559 7.189 1.00 0.00 N ATOM 1667 CA THR A 116 0.982 -0.074 7.159 1.00 0.00 C ATOM 1668 C THR A 116 0.473 0.328 5.751 1.00 0.00 C ATOM 1669 O THR A 116 1.079 1.133 5.016 1.00 0.00 O ATOM 1670 CB THR A 116 0.752 1.018 8.245 1.00 0.00 C ATOM 1671 OG1 THR A 116 -0.620 1.474 8.274 1.00 0.00 O ATOM 1672 CG2 THR A 116 1.709 2.186 8.065 1.00 0.00 C ATOM 0 H THR A 116 2.988 0.057 7.671 1.00 0.00 H new ATOM 0 HA THR A 116 0.349 -0.922 7.418 1.00 0.00 H new ATOM 0 HB THR A 116 0.960 0.555 9.209 1.00 0.00 H new ATOM 0 HG1 THR A 116 -0.692 2.325 7.794 1.00 0.00 H new ATOM 0 HG21 THR A 116 1.523 2.931 8.838 1.00 0.00 H new ATOM 0 HG22 THR A 116 2.736 1.830 8.143 1.00 0.00 H new ATOM 0 HG23 THR A 116 1.555 2.635 7.084 1.00 0.00 H new ATOM 1680 N LEU A 117 -0.634 -0.296 5.392 1.00 0.00 N ATOM 1681 CA LEU A 117 -1.291 -0.118 4.111 1.00 0.00 C ATOM 1682 C LEU A 117 -2.116 1.145 4.156 1.00 0.00 C ATOM 1683 O LEU A 117 -3.203 1.151 4.708 1.00 0.00 O ATOM 1684 CB LEU A 117 -2.243 -1.291 3.856 1.00 0.00 C ATOM 1685 CG LEU A 117 -2.855 -1.422 2.456 1.00 0.00 C ATOM 1686 CD1 LEU A 117 -1.866 -2.045 1.502 1.00 0.00 C ATOM 1687 CD2 LEU A 117 -4.142 -2.229 2.489 1.00 0.00 C ATOM 0 H LEU A 117 -1.114 -0.959 6.001 1.00 0.00 H new ATOM 0 HA LEU A 117 -0.538 -0.064 3.325 1.00 0.00 H new ATOM 0 HB2 LEU A 117 -1.704 -2.213 4.074 1.00 0.00 H new ATOM 0 HB3 LEU A 117 -3.060 -1.222 4.574 1.00 0.00 H new ATOM 0 HG LEU A 117 -3.097 -0.420 2.103 1.00 0.00 H new ATOM 0 HD11 LEU A 117 -2.318 -2.130 0.514 1.00 0.00 H new ATOM 0 HD12 LEU A 117 -0.975 -1.419 1.441 1.00 0.00 H new ATOM 0 HD13 LEU A 117 -1.589 -3.036 1.861 1.00 0.00 H new ATOM 0 HD21 LEU A 117 -4.551 -2.303 1.481 1.00 0.00 H new ATOM 0 HD22 LEU A 117 -3.935 -3.229 2.871 1.00 0.00 H new ATOM 0 HD23 LEU A 117 -4.865 -1.735 3.138 1.00 0.00 H new ATOM 1699 N VAL A 118 -1.596 2.221 3.637 1.00 0.00 N ATOM 1700 CA VAL A 118 -2.369 3.444 3.639 1.00 0.00 C ATOM 1701 C VAL A 118 -3.156 3.555 2.357 1.00 0.00 C ATOM 1702 O VAL A 118 -2.611 3.926 1.304 1.00 0.00 O ATOM 1703 CB VAL A 118 -1.477 4.667 3.818 1.00 0.00 C ATOM 1704 CG1 VAL A 118 -2.303 5.934 3.978 1.00 0.00 C ATOM 1705 CG2 VAL A 118 -0.595 4.457 5.005 1.00 0.00 C ATOM 0 H VAL A 118 -0.669 2.285 3.217 1.00 0.00 H new ATOM 0 HA VAL A 118 -3.057 3.409 4.484 1.00 0.00 H new ATOM 0 HB VAL A 118 -0.864 4.792 2.926 1.00 0.00 H new ATOM 0 HG11 VAL A 118 -1.638 6.788 4.104 1.00 0.00 H new ATOM 0 HG12 VAL A 118 -2.919 6.081 3.091 1.00 0.00 H new ATOM 0 HG13 VAL A 118 -2.945 5.842 4.854 1.00 0.00 H new ATOM 0 HG21 VAL A 118 0.047 5.328 5.140 1.00 0.00 H new ATOM 0 HG22 VAL A 118 -1.209 4.317 5.895 1.00 0.00 H new ATOM 0 HG23 VAL A 118 0.022 3.572 4.848 1.00 0.00 H new ATOM 1715 N VAL A 119 -4.410 3.218 2.475 1.00 0.00 N ATOM 1716 CA VAL A 119 -5.376 3.139 1.418 1.00 0.00 C ATOM 1717 C VAL A 119 -6.697 3.692 1.934 1.00 0.00 C ATOM 1718 O VAL A 119 -6.888 3.800 3.141 1.00 0.00 O ATOM 1719 CB VAL A 119 -5.618 1.622 1.042 1.00 0.00 C ATOM 1720 CG1 VAL A 119 -6.190 0.822 2.211 1.00 0.00 C ATOM 1721 CG2 VAL A 119 -6.490 1.458 -0.199 1.00 0.00 C ATOM 0 H VAL A 119 -4.812 2.974 3.380 1.00 0.00 H new ATOM 0 HA VAL A 119 -5.018 3.697 0.553 1.00 0.00 H new ATOM 0 HB VAL A 119 -4.634 1.215 0.807 1.00 0.00 H new ATOM 0 HG11 VAL A 119 -6.339 -0.213 1.905 1.00 0.00 H new ATOM 0 HG12 VAL A 119 -5.495 0.856 3.050 1.00 0.00 H new ATOM 0 HG13 VAL A 119 -7.145 1.252 2.514 1.00 0.00 H new ATOM 0 HG21 VAL A 119 -6.624 0.397 -0.412 1.00 0.00 H new ATOM 0 HG22 VAL A 119 -7.462 1.919 -0.024 1.00 0.00 H new ATOM 0 HG23 VAL A 119 -6.008 1.941 -1.049 1.00 0.00 H new ATOM 1731 N HIS A 120 -7.530 4.127 1.031 1.00 0.00 N ATOM 1732 CA HIS A 120 -8.909 4.388 1.293 1.00 0.00 C ATOM 1733 C HIS A 120 -9.524 4.657 -0.044 1.00 0.00 C ATOM 1734 O HIS A 120 -8.782 4.797 -1.030 1.00 0.00 O ATOM 1735 CB HIS A 120 -9.152 5.556 2.270 1.00 0.00 C ATOM 1736 CG HIS A 120 -10.492 5.440 2.939 1.00 0.00 C ATOM 1737 ND1 HIS A 120 -11.477 6.394 2.863 1.00 0.00 N ATOM 1738 CD2 HIS A 120 -11.023 4.412 3.642 1.00 0.00 C ATOM 1739 CE1 HIS A 120 -12.555 5.944 3.476 1.00 0.00 C ATOM 1740 NE2 HIS A 120 -12.311 4.741 3.950 1.00 0.00 N ATOM 0 H HIS A 120 -7.256 4.314 0.066 1.00 0.00 H new ATOM 0 HA HIS A 120 -9.359 3.532 1.796 1.00 0.00 H new ATOM 0 HB2 HIS A 120 -8.366 5.570 3.025 1.00 0.00 H new ATOM 0 HB3 HIS A 120 -9.093 6.502 1.731 1.00 0.00 H new ATOM 0 HD2 HIS A 120 -10.518 3.496 3.911 1.00 0.00 H new ATOM 0 HE1 HIS A 120 -13.489 6.478 3.573 1.00 0.00 H new ATOM 0 HE2 HIS A 120 -12.972 4.155 4.460 1.00 0.00 H new ATOM 1749 N GLU A 121 -10.824 4.662 -0.122 1.00 0.00 N ATOM 1750 CA GLU A 121 -11.511 4.995 -1.317 1.00 0.00 C ATOM 1751 C GLU A 121 -11.374 6.503 -1.494 1.00 0.00 C ATOM 1752 O GLU A 121 -12.231 7.265 -1.040 1.00 0.00 O ATOM 1753 CB GLU A 121 -13.029 4.652 -1.156 1.00 0.00 C ATOM 1754 CG GLU A 121 -13.372 3.293 -0.485 1.00 0.00 C ATOM 1755 CD GLU A 121 -13.031 3.229 1.019 1.00 0.00 C ATOM 1756 OE1 GLU A 121 -13.811 3.707 1.869 1.00 0.00 O ATOM 1757 OE2 GLU A 121 -11.939 2.763 1.358 1.00 0.00 O ATOM 0 H GLU A 121 -11.437 4.430 0.660 1.00 0.00 H new ATOM 0 HA GLU A 121 -11.105 4.447 -2.167 1.00 0.00 H new ATOM 0 HB2 GLU A 121 -13.497 5.446 -0.574 1.00 0.00 H new ATOM 0 HB3 GLU A 121 -13.488 4.668 -2.145 1.00 0.00 H new ATOM 0 HG2 GLU A 121 -14.436 3.095 -0.614 1.00 0.00 H new ATOM 0 HG3 GLU A 121 -12.834 2.499 -1.003 1.00 0.00 H new ATOM 1764 N LYS A 122 -10.260 6.899 -2.094 1.00 0.00 N ATOM 1765 CA LYS A 122 -9.879 8.277 -2.375 1.00 0.00 C ATOM 1766 C LYS A 122 -8.638 8.261 -3.205 1.00 0.00 C ATOM 1767 O LYS A 122 -8.041 7.196 -3.409 1.00 0.00 O ATOM 1768 CB LYS A 122 -9.613 9.129 -1.100 1.00 0.00 C ATOM 1769 CG LYS A 122 -10.835 9.818 -0.517 1.00 0.00 C ATOM 1770 CD LYS A 122 -10.477 10.678 0.674 1.00 0.00 C ATOM 1771 CE LYS A 122 -11.691 11.445 1.170 1.00 0.00 C ATOM 1772 NZ LYS A 122 -11.380 12.268 2.353 1.00 0.00 N ATOM 0 H LYS A 122 -9.559 6.231 -2.415 1.00 0.00 H new ATOM 0 HA LYS A 122 -10.719 8.741 -2.892 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -9.180 8.484 -0.335 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -8.867 9.887 -1.338 1.00 0.00 H new ATOM 0 HG2 LYS A 122 -11.305 10.435 -1.283 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -11.567 9.068 -0.218 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -10.084 10.052 1.475 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -9.687 11.377 0.399 1.00 0.00 H new ATOM 0 HE2 LYS A 122 -12.066 12.085 0.372 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -12.487 10.743 1.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -12.236 12.774 2.658 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -11.046 11.655 3.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -10.638 12.956 2.112 1.00 0.00 H new ATOM 1786 N ALA A 123 -8.276 9.399 -3.693 1.00 0.00 N ATOM 1787 CA ALA A 123 -7.032 9.574 -4.367 1.00 0.00 C ATOM 1788 C ALA A 123 -5.878 9.742 -3.360 1.00 0.00 C ATOM 1789 O ALA A 123 -5.728 10.789 -2.704 1.00 0.00 O ATOM 1790 CB ALA A 123 -7.093 10.759 -5.320 1.00 0.00 C ATOM 0 H ALA A 123 -8.842 10.245 -3.635 1.00 0.00 H new ATOM 0 HA ALA A 123 -6.840 8.676 -4.954 1.00 0.00 H new ATOM 0 HB1 ALA A 123 -6.132 10.872 -5.822 1.00 0.00 H new ATOM 0 HB2 ALA A 123 -7.873 10.589 -6.062 1.00 0.00 H new ATOM 0 HB3 ALA A 123 -7.318 11.666 -4.759 1.00 0.00 H new ATOM 1796 N ASP A 124 -5.117 8.696 -3.223 1.00 0.00 N ATOM 1797 CA ASP A 124 -3.883 8.661 -2.436 1.00 0.00 C ATOM 1798 C ASP A 124 -2.828 8.333 -3.425 1.00 0.00 C ATOM 1799 O ASP A 124 -2.472 7.197 -3.603 1.00 0.00 O ATOM 1800 CB ASP A 124 -3.936 7.565 -1.315 1.00 0.00 C ATOM 1801 CG ASP A 124 -2.596 7.270 -0.578 1.00 0.00 C ATOM 1802 OD1 ASP A 124 -1.467 7.435 -1.028 1.00 0.00 O ATOM 1803 OD2 ASP A 124 -2.523 6.705 0.508 1.00 0.00 O ATOM 0 H ASP A 124 -5.332 7.803 -3.666 1.00 0.00 H new ATOM 0 HA ASP A 124 -3.709 9.605 -1.920 1.00 0.00 H new ATOM 0 HB2 ASP A 124 -4.675 7.869 -0.574 1.00 0.00 H new ATOM 0 HB3 ASP A 124 -4.294 6.637 -1.760 1.00 0.00 H new ATOM 1808 N ASP A 125 -2.399 9.287 -4.133 1.00 0.00 N ATOM 1809 CA ASP A 125 -1.531 9.016 -5.233 1.00 0.00 C ATOM 1810 C ASP A 125 -0.271 9.846 -5.094 1.00 0.00 C ATOM 1811 O ASP A 125 -0.320 11.019 -4.706 1.00 0.00 O ATOM 1812 CB ASP A 125 -2.311 9.266 -6.537 1.00 0.00 C ATOM 1813 CG ASP A 125 -1.610 8.904 -7.825 1.00 0.00 C ATOM 1814 OD1 ASP A 125 -0.431 9.254 -8.017 1.00 0.00 O ATOM 1815 OD2 ASP A 125 -2.270 8.310 -8.701 1.00 0.00 O ATOM 0 H ASP A 125 -2.624 10.271 -3.986 1.00 0.00 H new ATOM 0 HA ASP A 125 -1.204 7.976 -5.251 1.00 0.00 H new ATOM 0 HB2 ASP A 125 -3.245 8.705 -6.488 1.00 0.00 H new ATOM 0 HB3 ASP A 125 -2.575 10.323 -6.578 1.00 0.00 H new ATOM 1820 N LEU A 126 0.843 9.228 -5.397 1.00 0.00 N ATOM 1821 CA LEU A 126 2.151 9.805 -5.186 1.00 0.00 C ATOM 1822 C LEU A 126 2.518 10.744 -6.322 1.00 0.00 C ATOM 1823 O LEU A 126 3.351 11.630 -6.166 1.00 0.00 O ATOM 1824 CB LEU A 126 3.158 8.664 -5.034 1.00 0.00 C ATOM 1825 CG LEU A 126 4.627 9.007 -4.765 1.00 0.00 C ATOM 1826 CD1 LEU A 126 4.775 9.856 -3.518 1.00 0.00 C ATOM 1827 CD2 LEU A 126 5.414 7.724 -4.603 1.00 0.00 C ATOM 0 H LEU A 126 0.869 8.293 -5.804 1.00 0.00 H new ATOM 0 HA LEU A 126 2.157 10.408 -4.278 1.00 0.00 H new ATOM 0 HB2 LEU A 126 2.814 8.026 -4.220 1.00 0.00 H new ATOM 0 HB3 LEU A 126 3.120 8.067 -5.945 1.00 0.00 H new ATOM 0 HG LEU A 126 5.009 9.580 -5.610 1.00 0.00 H new ATOM 0 HD11 LEU A 126 5.829 10.082 -3.355 1.00 0.00 H new ATOM 0 HD12 LEU A 126 4.219 10.785 -3.643 1.00 0.00 H new ATOM 0 HD13 LEU A 126 4.383 9.312 -2.659 1.00 0.00 H new ATOM 0 HD21 LEU A 126 6.461 7.961 -4.411 1.00 0.00 H new ATOM 0 HD22 LEU A 126 5.012 7.154 -3.766 1.00 0.00 H new ATOM 0 HD23 LEU A 126 5.337 7.132 -5.515 1.00 0.00 H new ATOM 1839 N GLY A 127 1.876 10.559 -7.447 1.00 0.00 N ATOM 1840 CA GLY A 127 2.075 11.436 -8.568 1.00 0.00 C ATOM 1841 C GLY A 127 0.915 12.397 -8.691 1.00 0.00 C ATOM 1842 O GLY A 127 0.738 13.052 -9.719 1.00 0.00 O ATOM 0 H GLY A 127 1.209 9.805 -7.609 1.00 0.00 H new ATOM 0 HA2 GLY A 127 3.005 11.991 -8.444 1.00 0.00 H new ATOM 0 HA3 GLY A 127 2.172 10.852 -9.483 1.00 0.00 H new ATOM 1846 N LYS A 128 0.120 12.449 -7.644 1.00 0.00 N ATOM 1847 CA LYS A 128 -1.040 13.323 -7.536 1.00 0.00 C ATOM 1848 C LYS A 128 -0.851 14.072 -6.219 1.00 0.00 C ATOM 1849 O LYS A 128 -1.785 14.343 -5.472 1.00 0.00 O ATOM 1850 CB LYS A 128 -2.310 12.428 -7.523 1.00 0.00 C ATOM 1851 CG LYS A 128 -3.688 13.086 -7.779 1.00 0.00 C ATOM 1852 CD LYS A 128 -4.338 13.625 -6.512 1.00 0.00 C ATOM 1853 CE LYS A 128 -5.645 14.333 -6.789 1.00 0.00 C ATOM 1854 NZ LYS A 128 -6.199 14.947 -5.566 1.00 0.00 N ATOM 0 H LYS A 128 0.263 11.869 -6.817 1.00 0.00 H new ATOM 0 HA LYS A 128 -1.146 14.031 -8.358 1.00 0.00 H new ATOM 0 HB2 LYS A 128 -2.172 11.648 -8.272 1.00 0.00 H new ATOM 0 HB3 LYS A 128 -2.355 11.933 -6.553 1.00 0.00 H new ATOM 0 HG2 LYS A 128 -3.568 13.901 -8.493 1.00 0.00 H new ATOM 0 HG3 LYS A 128 -4.353 12.355 -8.239 1.00 0.00 H new ATOM 0 HD2 LYS A 128 -4.514 12.802 -5.819 1.00 0.00 H new ATOM 0 HD3 LYS A 128 -3.652 14.315 -6.020 1.00 0.00 H new ATOM 0 HE2 LYS A 128 -5.490 15.103 -7.545 1.00 0.00 H new ATOM 0 HE3 LYS A 128 -6.364 13.624 -7.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 -7.095 15.424 -5.792 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 -6.370 14.209 -4.854 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 -5.523 15.642 -5.189 1.00 0.00 H new ATOM 1868 N GLY A 129 0.395 14.408 -5.949 1.00 0.00 N ATOM 1869 CA GLY A 129 0.722 15.112 -4.751 1.00 0.00 C ATOM 1870 C GLY A 129 -0.020 16.413 -4.669 1.00 0.00 C ATOM 1871 O GLY A 129 -0.760 16.660 -3.710 1.00 0.00 O ATOM 0 H GLY A 129 1.191 14.199 -6.552 1.00 0.00 H new ATOM 0 HA2 GLY A 129 0.478 14.496 -3.886 1.00 0.00 H new ATOM 0 HA3 GLY A 129 1.795 15.299 -4.717 1.00 0.00 H new ATOM 1875 N GLY A 130 0.121 17.222 -5.687 1.00 0.00 N ATOM 1876 CA GLY A 130 -0.573 18.485 -5.720 1.00 0.00 C ATOM 1877 C GLY A 130 0.375 19.646 -5.666 1.00 0.00 C ATOM 1878 O GLY A 130 0.058 20.741 -6.138 1.00 0.00 O ATOM 0 H GLY A 130 0.706 17.031 -6.500 1.00 0.00 H new ATOM 0 HA2 GLY A 130 -1.171 18.547 -6.629 1.00 0.00 H new ATOM 0 HA3 GLY A 130 -1.264 18.541 -4.879 1.00 0.00 H new ATOM 1882 N ASN A 131 1.538 19.417 -5.105 1.00 0.00 N ATOM 1883 CA ASN A 131 2.579 20.439 -4.991 1.00 0.00 C ATOM 1884 C ASN A 131 3.833 19.699 -4.584 1.00 0.00 C ATOM 1885 O ASN A 131 3.719 18.538 -4.176 1.00 0.00 O ATOM 1886 CB ASN A 131 2.196 21.513 -3.933 1.00 0.00 C ATOM 1887 CG ASN A 131 2.994 22.825 -4.053 1.00 0.00 C ATOM 1888 OD1 ASN A 131 4.135 22.848 -4.499 1.00 0.00 O ATOM 1889 ND2 ASN A 131 2.394 23.915 -3.659 1.00 0.00 N ATOM 0 H ASN A 131 1.801 18.515 -4.709 1.00 0.00 H new ATOM 0 HA ASN A 131 2.717 20.975 -5.930 1.00 0.00 H new ATOM 0 HB2 ASN A 131 1.133 21.737 -4.026 1.00 0.00 H new ATOM 0 HB3 ASN A 131 2.348 21.097 -2.937 1.00 0.00 H new ATOM 0 HD21 ASN A 131 2.875 24.812 -3.719 1.00 0.00 H new ATOM 0 HD22 ASN A 131 1.444 23.870 -3.291 1.00 0.00 H new ATOM 1896 N GLU A 132 4.997 20.340 -4.660 1.00 0.00 N ATOM 1897 CA GLU A 132 6.289 19.699 -4.397 1.00 0.00 C ATOM 1898 C GLU A 132 6.310 18.886 -3.096 1.00 0.00 C ATOM 1899 O GLU A 132 6.728 17.729 -3.101 1.00 0.00 O ATOM 1900 CB GLU A 132 7.437 20.715 -4.437 1.00 0.00 C ATOM 1901 CG GLU A 132 7.325 21.873 -3.461 1.00 0.00 C ATOM 1902 CD GLU A 132 8.498 22.802 -3.562 1.00 0.00 C ATOM 1903 OE1 GLU A 132 9.585 22.457 -3.055 1.00 0.00 O ATOM 1904 OE2 GLU A 132 8.364 23.894 -4.169 1.00 0.00 O ATOM 0 H GLU A 132 5.074 21.327 -4.908 1.00 0.00 H new ATOM 0 HA GLU A 132 6.439 18.983 -5.205 1.00 0.00 H new ATOM 0 HB2 GLU A 132 8.371 20.188 -4.242 1.00 0.00 H new ATOM 0 HB3 GLU A 132 7.504 21.120 -5.447 1.00 0.00 H new ATOM 0 HG2 GLU A 132 6.406 22.425 -3.656 1.00 0.00 H new ATOM 0 HG3 GLU A 132 7.254 21.486 -2.444 1.00 0.00 H new ATOM 1911 N GLU A 133 5.800 19.475 -2.029 1.00 0.00 N ATOM 1912 CA GLU A 133 5.726 18.842 -0.717 1.00 0.00 C ATOM 1913 C GLU A 133 4.856 17.593 -0.778 1.00 0.00 C ATOM 1914 O GLU A 133 5.295 16.498 -0.436 1.00 0.00 O ATOM 1915 CB GLU A 133 5.170 19.882 0.296 1.00 0.00 C ATOM 1916 CG GLU A 133 4.913 19.437 1.760 1.00 0.00 C ATOM 1917 CD GLU A 133 3.708 18.515 1.950 1.00 0.00 C ATOM 1918 OE1 GLU A 133 2.623 18.789 1.381 1.00 0.00 O ATOM 1919 OE2 GLU A 133 3.839 17.493 2.640 1.00 0.00 O ATOM 0 H GLU A 133 5.419 20.421 -2.046 1.00 0.00 H new ATOM 0 HA GLU A 133 6.716 18.523 -0.392 1.00 0.00 H new ATOM 0 HB2 GLU A 133 5.866 20.720 0.323 1.00 0.00 H new ATOM 0 HB3 GLU A 133 4.229 20.261 -0.103 1.00 0.00 H new ATOM 0 HG2 GLU A 133 5.803 18.929 2.132 1.00 0.00 H new ATOM 0 HG3 GLU A 133 4.773 20.326 2.375 1.00 0.00 H new ATOM 1926 N SER A 134 3.659 17.753 -1.272 1.00 0.00 N ATOM 1927 CA SER A 134 2.678 16.704 -1.256 1.00 0.00 C ATOM 1928 C SER A 134 3.046 15.554 -2.205 1.00 0.00 C ATOM 1929 O SER A 134 2.664 14.413 -1.979 1.00 0.00 O ATOM 1930 CB SER A 134 1.342 17.303 -1.601 1.00 0.00 C ATOM 1931 OG SER A 134 1.127 18.492 -0.849 1.00 0.00 O ATOM 0 H SER A 134 3.335 18.621 -1.700 1.00 0.00 H new ATOM 0 HA SER A 134 2.638 16.263 -0.260 1.00 0.00 H new ATOM 0 HB2 SER A 134 1.300 17.526 -2.667 1.00 0.00 H new ATOM 0 HB3 SER A 134 0.549 16.585 -1.394 1.00 0.00 H new ATOM 0 HG SER A 134 1.645 18.452 -0.018 1.00 0.00 H new ATOM 1937 N THR A 135 3.794 15.855 -3.249 1.00 0.00 N ATOM 1938 CA THR A 135 4.253 14.843 -4.181 1.00 0.00 C ATOM 1939 C THR A 135 5.457 14.065 -3.573 1.00 0.00 C ATOM 1940 O THR A 135 5.856 12.994 -4.058 1.00 0.00 O ATOM 1941 CB THR A 135 4.624 15.513 -5.529 1.00 0.00 C ATOM 1942 OG1 THR A 135 3.516 16.331 -5.952 1.00 0.00 O ATOM 1943 CG2 THR A 135 4.896 14.482 -6.614 1.00 0.00 C ATOM 0 H THR A 135 4.099 16.802 -3.474 1.00 0.00 H new ATOM 0 HA THR A 135 3.457 14.122 -4.368 1.00 0.00 H new ATOM 0 HB THR A 135 5.528 16.104 -5.379 1.00 0.00 H new ATOM 0 HG1 THR A 135 3.487 17.148 -5.411 1.00 0.00 H new ATOM 0 HG21 THR A 135 5.153 14.991 -7.543 1.00 0.00 H new ATOM 0 HG22 THR A 135 5.725 13.843 -6.309 1.00 0.00 H new ATOM 0 HG23 THR A 135 4.006 13.872 -6.768 1.00 0.00 H new ATOM 1951 N LYS A 136 6.041 14.618 -2.532 1.00 0.00 N ATOM 1952 CA LYS A 136 7.094 13.933 -1.820 1.00 0.00 C ATOM 1953 C LYS A 136 6.492 13.107 -0.735 1.00 0.00 C ATOM 1954 O LYS A 136 6.926 12.002 -0.480 1.00 0.00 O ATOM 1955 CB LYS A 136 8.107 14.893 -1.232 1.00 0.00 C ATOM 1956 CG LYS A 136 8.891 15.644 -2.263 1.00 0.00 C ATOM 1957 CD LYS A 136 9.906 16.560 -1.613 1.00 0.00 C ATOM 1958 CE LYS A 136 10.722 17.307 -2.649 1.00 0.00 C ATOM 1959 NZ LYS A 136 11.728 18.182 -2.025 1.00 0.00 N ATOM 0 H LYS A 136 5.804 15.538 -2.162 1.00 0.00 H new ATOM 0 HA LYS A 136 7.624 13.300 -2.532 1.00 0.00 H new ATOM 0 HB2 LYS A 136 7.589 15.606 -0.591 1.00 0.00 H new ATOM 0 HB3 LYS A 136 8.797 14.336 -0.598 1.00 0.00 H new ATOM 0 HG2 LYS A 136 9.400 14.940 -2.921 1.00 0.00 H new ATOM 0 HG3 LYS A 136 8.214 16.229 -2.885 1.00 0.00 H new ATOM 0 HD2 LYS A 136 9.393 17.274 -0.968 1.00 0.00 H new ATOM 0 HD3 LYS A 136 10.571 15.976 -0.977 1.00 0.00 H new ATOM 0 HE2 LYS A 136 11.219 16.592 -3.305 1.00 0.00 H new ATOM 0 HE3 LYS A 136 10.058 17.904 -3.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 136 12.266 18.676 -2.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 136 11.252 18.880 -1.419 1.00 0.00 H new ATOM 0 HZ3 LYS A 136 12.377 17.609 -1.449 1.00 0.00 H new ATOM 1973 N THR A 137 5.517 13.645 -0.095 1.00 0.00 N ATOM 1974 CA THR A 137 4.817 12.942 0.926 1.00 0.00 C ATOM 1975 C THR A 137 4.035 11.781 0.318 1.00 0.00 C ATOM 1976 O THR A 137 4.121 10.625 0.783 1.00 0.00 O ATOM 1977 CB THR A 137 3.860 13.905 1.639 1.00 0.00 C ATOM 1978 OG1 THR A 137 4.614 15.043 2.053 1.00 0.00 O ATOM 1979 CG2 THR A 137 3.235 13.251 2.857 1.00 0.00 C ATOM 0 H THR A 137 5.178 14.592 -0.264 1.00 0.00 H new ATOM 0 HA THR A 137 5.531 12.542 1.646 1.00 0.00 H new ATOM 0 HB THR A 137 3.057 14.188 0.958 1.00 0.00 H new ATOM 0 HG1 THR A 137 4.003 15.753 2.340 1.00 0.00 H new ATOM 0 HG21 THR A 137 2.561 13.956 3.343 1.00 0.00 H new ATOM 0 HG22 THR A 137 2.675 12.368 2.549 1.00 0.00 H new ATOM 0 HG23 THR A 137 4.019 12.958 3.555 1.00 0.00 H new ATOM 1987 N GLY A 138 3.349 12.070 -0.752 1.00 0.00 N ATOM 1988 CA GLY A 138 2.472 11.127 -1.321 1.00 0.00 C ATOM 1989 C GLY A 138 1.195 11.240 -0.597 1.00 0.00 C ATOM 1990 O GLY A 138 0.918 10.415 0.291 1.00 0.00 O ATOM 0 H GLY A 138 3.392 12.964 -1.240 1.00 0.00 H new ATOM 0 HA2 GLY A 138 2.332 11.322 -2.384 1.00 0.00 H new ATOM 0 HA3 GLY A 138 2.878 10.119 -1.233 1.00 0.00 H new ATOM 1994 N ASN A 139 0.452 12.308 -0.945 1.00 0.00 N ATOM 1995 CA ASN A 139 -0.825 12.723 -0.313 1.00 0.00 C ATOM 1996 C ASN A 139 -1.654 11.511 0.092 1.00 0.00 C ATOM 1997 O ASN A 139 -2.136 10.755 -0.757 1.00 0.00 O ATOM 1998 CB ASN A 139 -1.606 13.630 -1.295 1.00 0.00 C ATOM 1999 CG ASN A 139 -2.831 14.323 -0.692 1.00 0.00 C ATOM 2000 OD1 ASN A 139 -3.487 13.820 0.218 1.00 0.00 O ATOM 2001 ND2 ASN A 139 -3.144 15.498 -1.206 1.00 0.00 N ATOM 0 H ASN A 139 0.731 12.932 -1.702 1.00 0.00 H new ATOM 0 HA ASN A 139 -0.609 13.284 0.597 1.00 0.00 H new ATOM 0 HB2 ASN A 139 -0.929 14.392 -1.681 1.00 0.00 H new ATOM 0 HB3 ASN A 139 -1.928 13.029 -2.145 1.00 0.00 H new ATOM 0 HD21 ASN A 139 -3.949 16.013 -0.848 1.00 0.00 H new ATOM 0 HD22 ASN A 139 -2.581 15.891 -1.961 1.00 0.00 H new ATOM 2008 N ALA A 140 -1.780 11.315 1.389 1.00 0.00 N ATOM 2009 CA ALA A 140 -2.405 10.137 1.913 1.00 0.00 C ATOM 2010 C ALA A 140 -3.087 10.419 3.215 1.00 0.00 C ATOM 2011 O ALA A 140 -2.523 11.110 4.079 1.00 0.00 O ATOM 2012 CB ALA A 140 -1.347 9.075 2.150 1.00 0.00 C ATOM 0 H ALA A 140 -1.451 11.969 2.099 1.00 0.00 H new ATOM 0 HA ALA A 140 -3.147 9.797 1.190 1.00 0.00 H new ATOM 0 HB1 ALA A 140 -1.817 8.176 2.549 1.00 0.00 H new ATOM 0 HB2 ALA A 140 -0.852 8.838 1.208 1.00 0.00 H new ATOM 0 HB3 ALA A 140 -0.611 9.447 2.863 1.00 0.00 H new ATOM 2018 N GLY A 141 -4.286 9.909 3.358 1.00 0.00 N ATOM 2019 CA GLY A 141 -4.975 9.982 4.614 1.00 0.00 C ATOM 2020 C GLY A 141 -4.307 9.060 5.598 1.00 0.00 C ATOM 2021 O GLY A 141 -4.421 7.844 5.490 1.00 0.00 O ATOM 0 H GLY A 141 -4.802 9.438 2.615 1.00 0.00 H new ATOM 0 HA2 GLY A 141 -4.963 11.005 4.990 1.00 0.00 H new ATOM 0 HA3 GLY A 141 -6.020 9.701 4.486 1.00 0.00 H new ATOM 2025 N SER A 142 -3.634 9.655 6.541 1.00 0.00 N ATOM 2026 CA SER A 142 -2.744 8.994 7.474 1.00 0.00 C ATOM 2027 C SER A 142 -3.377 7.878 8.299 1.00 0.00 C ATOM 2028 O SER A 142 -2.704 6.940 8.664 1.00 0.00 O ATOM 2029 CB SER A 142 -2.186 10.065 8.394 1.00 0.00 C ATOM 2030 OG SER A 142 -1.660 11.153 7.619 1.00 0.00 O ATOM 0 H SER A 142 -3.688 10.662 6.694 1.00 0.00 H new ATOM 0 HA SER A 142 -1.973 8.493 6.888 1.00 0.00 H new ATOM 0 HB2 SER A 142 -2.969 10.427 9.060 1.00 0.00 H new ATOM 0 HB3 SER A 142 -1.402 9.643 9.023 1.00 0.00 H new ATOM 0 HG SER A 142 -1.332 10.814 6.760 1.00 0.00 H new ATOM 2036 N ARG A 143 -4.639 7.978 8.564 1.00 0.00 N ATOM 2037 CA ARG A 143 -5.290 7.029 9.409 1.00 0.00 C ATOM 2038 C ARG A 143 -6.527 6.519 8.701 1.00 0.00 C ATOM 2039 O ARG A 143 -7.457 6.006 9.335 1.00 0.00 O ATOM 2040 CB ARG A 143 -5.686 7.707 10.727 1.00 0.00 C ATOM 2041 CG ARG A 143 -6.038 6.741 11.858 1.00 0.00 C ATOM 2042 CD ARG A 143 -6.671 7.467 13.023 1.00 0.00 C ATOM 2043 NE ARG A 143 -5.863 8.601 13.460 1.00 0.00 N ATOM 2044 CZ ARG A 143 -6.347 9.721 13.980 1.00 0.00 C ATOM 2045 NH1 ARG A 143 -7.619 9.789 14.363 1.00 0.00 N ATOM 2046 NH2 ARG A 143 -5.546 10.756 14.168 1.00 0.00 N ATOM 0 H ARG A 143 -5.245 8.715 8.204 1.00 0.00 H new ATOM 0 HA ARG A 143 -4.620 6.197 9.626 1.00 0.00 H new ATOM 0 HB2 ARG A 143 -4.864 8.345 11.054 1.00 0.00 H new ATOM 0 HB3 ARG A 143 -6.541 8.358 10.543 1.00 0.00 H new ATOM 0 HG2 ARG A 143 -6.722 5.978 11.487 1.00 0.00 H new ATOM 0 HG3 ARG A 143 -5.137 6.226 12.193 1.00 0.00 H new ATOM 0 HD2 ARG A 143 -7.663 7.817 12.737 1.00 0.00 H new ATOM 0 HD3 ARG A 143 -6.804 6.774 13.854 1.00 0.00 H new ATOM 0 HE ARG A 143 -4.851 8.527 13.358 1.00 0.00 H new ATOM 0 HH11 ARG A 143 -8.227 8.977 14.257 1.00 0.00 H new ATOM 0 HH12 ARG A 143 -7.986 10.653 14.762 1.00 0.00 H new ATOM 0 HH21 ARG A 143 -4.560 10.691 13.913 1.00 0.00 H new ATOM 0 HH22 ARG A 143 -5.914 11.619 14.568 1.00 0.00 H new ATOM 2060 N LEU A 144 -6.558 6.635 7.405 1.00 0.00 N ATOM 2061 CA LEU A 144 -7.716 6.181 6.685 1.00 0.00 C ATOM 2062 C LEU A 144 -7.746 4.682 6.620 1.00 0.00 C ATOM 2063 O LEU A 144 -8.791 4.085 6.325 1.00 0.00 O ATOM 2064 CB LEU A 144 -7.839 6.815 5.310 1.00 0.00 C ATOM 2065 CG LEU A 144 -8.069 8.324 5.292 1.00 0.00 C ATOM 2066 CD1 LEU A 144 -8.232 8.824 3.867 1.00 0.00 C ATOM 2067 CD2 LEU A 144 -9.284 8.695 6.132 1.00 0.00 C ATOM 0 H LEU A 144 -5.812 7.031 6.833 1.00 0.00 H new ATOM 0 HA LEU A 144 -8.593 6.511 7.242 1.00 0.00 H new ATOM 0 HB2 LEU A 144 -6.930 6.598 4.748 1.00 0.00 H new ATOM 0 HB3 LEU A 144 -8.663 6.335 4.782 1.00 0.00 H new ATOM 0 HG LEU A 144 -7.194 8.806 5.727 1.00 0.00 H new ATOM 0 HD11 LEU A 144 -8.395 9.902 3.876 1.00 0.00 H new ATOM 0 HD12 LEU A 144 -7.331 8.598 3.297 1.00 0.00 H new ATOM 0 HD13 LEU A 144 -9.087 8.332 3.404 1.00 0.00 H new ATOM 0 HD21 LEU A 144 -9.429 9.775 6.105 1.00 0.00 H new ATOM 0 HD22 LEU A 144 -10.168 8.200 5.731 1.00 0.00 H new ATOM 0 HD23 LEU A 144 -9.125 8.376 7.162 1.00 0.00 H new ATOM 2079 N ALA A 145 -6.619 4.077 6.920 1.00 0.00 N ATOM 2080 CA ALA A 145 -6.502 2.648 7.006 1.00 0.00 C ATOM 2081 C ALA A 145 -5.255 2.293 7.758 1.00 0.00 C ATOM 2082 O ALA A 145 -4.147 2.534 7.282 1.00 0.00 O ATOM 2083 CB ALA A 145 -6.474 2.007 5.633 1.00 0.00 C ATOM 0 H ALA A 145 -5.750 4.574 7.113 1.00 0.00 H new ATOM 0 HA ALA A 145 -7.376 2.267 7.534 1.00 0.00 H new ATOM 0 HB1 ALA A 145 -6.385 0.926 5.738 1.00 0.00 H new ATOM 0 HB2 ALA A 145 -7.395 2.245 5.101 1.00 0.00 H new ATOM 0 HB3 ALA A 145 -5.622 2.388 5.071 1.00 0.00 H new ATOM 2089 N CYS A 146 -5.407 1.795 8.942 1.00 0.00 N ATOM 2090 CA CYS A 146 -4.271 1.330 9.652 1.00 0.00 C ATOM 2091 C CYS A 146 -4.223 -0.154 9.470 1.00 0.00 C ATOM 2092 O CYS A 146 -5.246 -0.829 9.611 1.00 0.00 O ATOM 2093 CB CYS A 146 -4.402 1.678 11.118 1.00 0.00 C ATOM 2094 SG CYS A 146 -4.644 3.458 11.449 1.00 0.00 S ATOM 0 H CYS A 146 -6.298 1.702 9.430 1.00 0.00 H new ATOM 0 HA CYS A 146 -3.357 1.794 9.281 1.00 0.00 H new ATOM 0 HB2 CYS A 146 -5.243 1.125 11.537 1.00 0.00 H new ATOM 0 HB3 CYS A 146 -3.507 1.342 11.641 1.00 0.00 H new ATOM 2099 N GLY A 147 -3.090 -0.670 9.117 1.00 0.00 N ATOM 2100 CA GLY A 147 -3.017 -2.064 8.903 1.00 0.00 C ATOM 2101 C GLY A 147 -1.646 -2.533 8.655 1.00 0.00 C ATOM 2102 O GLY A 147 -0.990 -2.024 7.771 1.00 0.00 O ATOM 0 H GLY A 147 -2.222 -0.153 8.975 1.00 0.00 H new ATOM 0 HA2 GLY A 147 -3.421 -2.582 9.773 1.00 0.00 H new ATOM 0 HA3 GLY A 147 -3.646 -2.330 8.053 1.00 0.00 H new ATOM 2106 N VAL A 148 -1.209 -3.492 9.398 1.00 0.00 N ATOM 2107 CA VAL A 148 0.063 -4.103 9.146 1.00 0.00 C ATOM 2108 C VAL A 148 -0.043 -5.056 7.933 1.00 0.00 C ATOM 2109 O VAL A 148 -0.578 -6.158 8.023 1.00 0.00 O ATOM 2110 CB VAL A 148 0.652 -4.814 10.414 1.00 0.00 C ATOM 2111 CG1 VAL A 148 0.992 -3.785 11.480 1.00 0.00 C ATOM 2112 CG2 VAL A 148 -0.311 -5.846 10.996 1.00 0.00 C ATOM 0 H VAL A 148 -1.716 -3.877 10.195 1.00 0.00 H new ATOM 0 HA VAL A 148 0.774 -3.314 8.901 1.00 0.00 H new ATOM 0 HB VAL A 148 1.554 -5.338 10.098 1.00 0.00 H new ATOM 0 HG11 VAL A 148 1.400 -4.290 12.356 1.00 0.00 H new ATOM 0 HG12 VAL A 148 1.730 -3.085 11.088 1.00 0.00 H new ATOM 0 HG13 VAL A 148 0.090 -3.241 11.762 1.00 0.00 H new ATOM 0 HG21 VAL A 148 0.141 -6.312 11.872 1.00 0.00 H new ATOM 0 HG22 VAL A 148 -1.240 -5.355 11.285 1.00 0.00 H new ATOM 0 HG23 VAL A 148 -0.522 -6.610 10.247 1.00 0.00 H new ATOM 2122 N ILE A 149 0.369 -4.565 6.778 1.00 0.00 N ATOM 2123 CA ILE A 149 0.330 -5.336 5.560 1.00 0.00 C ATOM 2124 C ILE A 149 1.719 -5.760 5.178 1.00 0.00 C ATOM 2125 O ILE A 149 2.591 -4.939 4.796 1.00 0.00 O ATOM 2126 CB ILE A 149 -0.409 -4.610 4.370 1.00 0.00 C ATOM 2127 CG1 ILE A 149 -1.937 -4.735 4.493 1.00 0.00 C ATOM 2128 CG2 ILE A 149 0.026 -5.164 3.006 1.00 0.00 C ATOM 2129 CD1 ILE A 149 -2.573 -4.160 5.742 1.00 0.00 C ATOM 0 H ILE A 149 0.739 -3.621 6.664 1.00 0.00 H new ATOM 0 HA ILE A 149 -0.271 -6.222 5.764 1.00 0.00 H new ATOM 0 HB ILE A 149 -0.127 -3.559 4.433 1.00 0.00 H new ATOM 0 HG12 ILE A 149 -2.388 -4.249 3.628 1.00 0.00 H new ATOM 0 HG13 ILE A 149 -2.197 -5.792 4.436 1.00 0.00 H new ATOM 0 HG21 ILE A 149 -0.506 -4.638 2.213 1.00 0.00 H new ATOM 0 HG22 ILE A 149 1.099 -5.020 2.880 1.00 0.00 H new ATOM 0 HG23 ILE A 149 -0.206 -6.228 2.954 1.00 0.00 H new ATOM 0 HD11 ILE A 149 -3.652 -4.313 5.705 1.00 0.00 H new ATOM 0 HD12 ILE A 149 -2.166 -4.660 6.621 1.00 0.00 H new ATOM 0 HD13 ILE A 149 -2.360 -3.093 5.800 1.00 0.00 H new ATOM 2141 N GLY A 150 1.925 -7.010 5.265 1.00 0.00 N ATOM 2142 CA GLY A 150 3.197 -7.564 5.024 1.00 0.00 C ATOM 2143 C GLY A 150 3.084 -9.020 5.076 1.00 0.00 C ATOM 2144 O GLY A 150 1.982 -9.535 5.341 1.00 0.00 O ATOM 0 H GLY A 150 1.206 -7.691 5.509 1.00 0.00 H new ATOM 0 HA2 GLY A 150 3.570 -7.247 4.050 1.00 0.00 H new ATOM 0 HA3 GLY A 150 3.911 -7.212 5.769 1.00 0.00 H new ATOM 2148 N ILE A 151 4.160 -9.726 4.810 1.00 0.00 N ATOM 2149 CA ILE A 151 4.124 -11.156 4.915 1.00 0.00 C ATOM 2150 C ILE A 151 4.050 -11.515 6.388 1.00 0.00 C ATOM 2151 O ILE A 151 5.014 -11.351 7.155 1.00 0.00 O ATOM 2152 CB ILE A 151 5.313 -11.888 4.124 1.00 0.00 C ATOM 2153 CG1 ILE A 151 5.222 -13.454 4.127 1.00 0.00 C ATOM 2154 CG2 ILE A 151 6.694 -11.433 4.562 1.00 0.00 C ATOM 2155 CD1 ILE A 151 5.502 -14.168 5.448 1.00 0.00 C ATOM 0 H ILE A 151 5.057 -9.334 4.523 1.00 0.00 H new ATOM 0 HA ILE A 151 3.233 -11.534 4.413 1.00 0.00 H new ATOM 0 HB ILE A 151 5.167 -11.568 3.092 1.00 0.00 H new ATOM 0 HG12 ILE A 151 4.222 -13.735 3.797 1.00 0.00 H new ATOM 0 HG13 ILE A 151 5.922 -13.834 3.383 1.00 0.00 H new ATOM 0 HG21 ILE A 151 7.452 -11.967 3.988 1.00 0.00 H new ATOM 0 HG22 ILE A 151 6.796 -10.362 4.390 1.00 0.00 H new ATOM 0 HG23 ILE A 151 6.827 -11.644 5.623 1.00 0.00 H new ATOM 0 HD11 ILE A 151 5.405 -15.245 5.307 1.00 0.00 H new ATOM 0 HD12 ILE A 151 6.514 -13.935 5.780 1.00 0.00 H new ATOM 0 HD13 ILE A 151 4.788 -13.834 6.201 1.00 0.00 H new ATOM 2167 N ALA A 152 2.888 -11.914 6.788 1.00 0.00 N ATOM 2168 CA ALA A 152 2.639 -12.332 8.115 1.00 0.00 C ATOM 2169 C ALA A 152 1.747 -13.516 8.023 1.00 0.00 C ATOM 2170 O ALA A 152 0.974 -13.626 7.069 1.00 0.00 O ATOM 2171 CB ALA A 152 1.998 -11.212 8.929 1.00 0.00 C ATOM 0 H ALA A 152 2.070 -11.957 6.181 1.00 0.00 H new ATOM 0 HA ALA A 152 3.566 -12.587 8.628 1.00 0.00 H new ATOM 0 HB1 ALA A 152 1.817 -11.559 9.946 1.00 0.00 H new ATOM 0 HB2 ALA A 152 2.666 -10.351 8.953 1.00 0.00 H new ATOM 0 HB3 ALA A 152 1.052 -10.924 8.470 1.00 0.00 H new ATOM 2177 N GLN A 153 1.892 -14.417 8.938 1.00 0.00 N ATOM 2178 CA GLN A 153 1.122 -15.628 8.974 1.00 0.00 C ATOM 2179 C GLN A 153 1.218 -16.227 10.358 1.00 0.00 C ATOM 2180 O GLN A 153 2.052 -17.128 10.596 1.00 0.00 O ATOM 2181 CB GLN A 153 1.557 -16.625 7.860 1.00 0.00 C ATOM 2182 CG GLN A 153 3.068 -16.780 7.689 1.00 0.00 C ATOM 2183 CD GLN A 153 3.436 -17.866 6.703 1.00 0.00 C ATOM 2184 OE1 GLN A 153 3.612 -19.029 7.082 1.00 0.00 O ATOM 2185 NE2 GLN A 153 3.555 -17.514 5.444 1.00 0.00 N ATOM 2186 OXT GLN A 153 0.520 -15.729 11.250 1.00 0.00 O ATOM 0 H GLN A 153 2.563 -14.335 9.701 1.00 0.00 H new ATOM 0 HA GLN A 153 0.077 -15.398 8.766 1.00 0.00 H new ATOM 0 HB2 GLN A 153 1.129 -17.603 8.080 1.00 0.00 H new ATOM 0 HB3 GLN A 153 1.131 -16.297 6.912 1.00 0.00 H new ATOM 0 HG2 GLN A 153 3.491 -15.833 7.354 1.00 0.00 H new ATOM 0 HG3 GLN A 153 3.518 -17.005 8.656 1.00 0.00 H new ATOM 0 HE21 GLN A 153 3.402 -16.544 5.169 1.00 0.00 H new ATOM 0 HE22 GLN A 153 3.800 -18.211 4.741 1.00 0.00 H new TER 2195 GLN A 153 HETATM 2196 CU CU A 201 -0.998 6.478 0.141 1.00 0.00 CU