USER MOD reduce.3.24.130724 H: found=0, std=0, add=904, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 902 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 89 SER OG : rot -70:sc= 0.776 USER MOD Set 1.2: A 93 THR OG1 : rot 103:sc= 1.1 USER MOD Set 2.1: A 27 ASN :FLIP amide:sc= -1.34! C(o=-4.4!,f=-2.8!) USER MOD Set 2.2: A 59 ASN :FLIP amide:sc= -1.44! F(o=-3.5,f=-2.8!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ -127:sc= -0.969 (180deg=-2.95!) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 ASN : amide:sc= -0.0393 X(o=-0.039,f=-0.058) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ -114:sc= -0.244 (180deg=-1.73!) USER MOD Single : A 33 TYR OH : rot -112:sc= 1.2 USER MOD Single : A 37 CYS SG : rot 120:sc= -0.92 USER MOD Single : A 39 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 40 CYS SG : rot -153:sc= -0.962 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=-0.015) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 77:sc= 0.181 USER MOD Single : A 54 TYR OH : rot 180:sc= -0.941 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 HIS : no HD1:sc= -3.32 K(o=-3.3,f=-8!) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 MET CE :methyl -154:sc= -0.059 (180deg=-1.14) USER MOD Single : A 67 SER OG : rot 110:sc= -0.519 USER MOD Single : A 68 THR OG1 : rot 110:sc= -1.86 USER MOD Single : A 70 ASN : amide:sc= -0.218 K(o=-0.22,f=-1.1) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 HIS :FLIP no HD1:sc= -0.5 F(o=-1.5!,f=-0.5) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 82 THR OG1 : rot 92:sc= 1.01 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 TYR OH : rot -89:sc= 1.98 USER MOD Single : A 98 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 102 THR OG1 : rot 133:sc= 0.509 USER MOD Single : A 107 LYS NZ :NH3+ -150:sc= 0 (180deg=-0.934) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 SER OG : rot 103:sc= 1.21 USER MOD Single : A 115 GLN : amide:sc= -0.138 K(o=-0.14,f=-0.83) USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -10.935 -19.607 12.814 1.00 0.00 N ATOM 2 CA GLY A 1 -10.130 -19.888 11.639 1.00 0.00 C ATOM 3 C GLY A 1 -10.726 -19.301 10.374 1.00 0.00 C ATOM 4 O GLY A 1 -10.035 -18.631 9.608 1.00 0.00 O ATOM 0 H1 GLY A 1 -10.486 -20.029 13.652 1.00 0.00 H new ATOM 0 H2 GLY A 1 -11.012 -18.578 12.944 1.00 0.00 H new ATOM 0 H3 GLY A 1 -11.885 -20.012 12.689 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -9.127 -19.486 11.785 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -10.027 -20.967 11.522 1.00 0.00 H new ATOM 8 N SER A 2 -12.012 -19.555 10.155 1.00 0.00 N ATOM 9 CA SER A 2 -12.699 -19.052 8.971 1.00 0.00 C ATOM 10 C SER A 2 -12.000 -19.518 7.698 1.00 0.00 C ATOM 11 O SER A 2 -11.837 -18.750 6.750 1.00 0.00 O ATOM 12 CB SER A 2 -12.762 -17.524 9.003 1.00 0.00 C ATOM 13 OG SER A 2 -13.746 -17.072 9.916 1.00 0.00 O ATOM 0 H SER A 2 -12.599 -20.106 10.781 1.00 0.00 H new ATOM 0 HA SER A 2 -13.714 -19.450 8.973 1.00 0.00 H new ATOM 0 HB2 SER A 2 -11.789 -17.123 9.285 1.00 0.00 H new ATOM 0 HB3 SER A 2 -12.986 -17.145 8.006 1.00 0.00 H new ATOM 0 HG SER A 2 -13.765 -16.092 9.918 1.00 0.00 H new ATOM 19 N SER A 3 -11.589 -20.782 7.685 1.00 0.00 N ATOM 20 CA SER A 3 -10.904 -21.351 6.530 1.00 0.00 C ATOM 21 C SER A 3 -11.647 -21.020 5.240 1.00 0.00 C ATOM 22 O SER A 3 -12.848 -21.263 5.122 1.00 0.00 O ATOM 23 CB SER A 3 -10.775 -22.868 6.684 1.00 0.00 C ATOM 24 OG SER A 3 -9.779 -23.385 5.818 1.00 0.00 O ATOM 0 H SER A 3 -11.718 -21.431 8.461 1.00 0.00 H new ATOM 0 HA SER A 3 -9.908 -20.912 6.477 1.00 0.00 H new ATOM 0 HB2 SER A 3 -10.526 -23.112 7.717 1.00 0.00 H new ATOM 0 HB3 SER A 3 -11.732 -23.342 6.466 1.00 0.00 H new ATOM 0 HG SER A 3 -9.714 -24.356 5.936 1.00 0.00 H new ATOM 30 N GLY A 4 -10.923 -20.464 4.273 1.00 0.00 N ATOM 31 CA GLY A 4 -11.530 -20.109 3.003 1.00 0.00 C ATOM 32 C GLY A 4 -11.084 -18.747 2.509 1.00 0.00 C ATOM 33 O GLY A 4 -11.888 -17.820 2.413 1.00 0.00 O ATOM 0 H GLY A 4 -9.928 -20.253 4.346 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -11.276 -20.863 2.259 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -12.615 -20.117 3.107 1.00 0.00 H new ATOM 37 N SER A 5 -9.798 -18.625 2.195 1.00 0.00 N ATOM 38 CA SER A 5 -9.245 -17.365 1.713 1.00 0.00 C ATOM 39 C SER A 5 -9.159 -17.356 0.190 1.00 0.00 C ATOM 40 O SER A 5 -8.462 -18.176 -0.408 1.00 0.00 O ATOM 41 CB SER A 5 -7.858 -17.129 2.315 1.00 0.00 C ATOM 42 OG SER A 5 -7.953 -16.519 3.591 1.00 0.00 O ATOM 0 H SER A 5 -9.120 -19.384 2.266 1.00 0.00 H new ATOM 0 HA SER A 5 -9.911 -16.561 2.026 1.00 0.00 H new ATOM 0 HB2 SER A 5 -7.329 -18.078 2.401 1.00 0.00 H new ATOM 0 HB3 SER A 5 -7.272 -16.496 1.649 1.00 0.00 H new ATOM 0 HG SER A 5 -7.054 -16.380 3.955 1.00 0.00 H new ATOM 48 N SER A 6 -9.873 -16.423 -0.431 1.00 0.00 N ATOM 49 CA SER A 6 -9.882 -16.309 -1.885 1.00 0.00 C ATOM 50 C SER A 6 -9.187 -15.027 -2.333 1.00 0.00 C ATOM 51 O SER A 6 -9.825 -13.990 -2.509 1.00 0.00 O ATOM 52 CB SER A 6 -11.318 -16.335 -2.411 1.00 0.00 C ATOM 53 OG SER A 6 -11.351 -16.662 -3.790 1.00 0.00 O ATOM 0 H SER A 6 -10.453 -15.735 0.050 1.00 0.00 H new ATOM 0 HA SER A 6 -9.337 -17.160 -2.295 1.00 0.00 H new ATOM 0 HB2 SER A 6 -11.902 -17.063 -1.848 1.00 0.00 H new ATOM 0 HB3 SER A 6 -11.784 -15.362 -2.254 1.00 0.00 H new ATOM 0 HG SER A 6 -12.280 -16.673 -4.101 1.00 0.00 H new ATOM 59 N GLY A 7 -7.872 -15.107 -2.516 1.00 0.00 N ATOM 60 CA GLY A 7 -7.111 -13.948 -2.942 1.00 0.00 C ATOM 61 C GLY A 7 -5.950 -13.644 -2.016 1.00 0.00 C ATOM 62 O GLY A 7 -6.032 -13.830 -0.801 1.00 0.00 O ATOM 0 H GLY A 7 -7.321 -15.954 -2.377 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -6.733 -14.116 -3.950 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -7.771 -13.081 -2.989 1.00 0.00 H new ATOM 66 N PRO A 8 -4.837 -13.165 -2.592 1.00 0.00 N ATOM 67 CA PRO A 8 -3.634 -12.826 -1.827 1.00 0.00 C ATOM 68 C PRO A 8 -3.830 -11.591 -0.954 1.00 0.00 C ATOM 69 O PRO A 8 -3.520 -11.605 0.237 1.00 0.00 O ATOM 70 CB PRO A 8 -2.589 -12.552 -2.913 1.00 0.00 C ATOM 71 CG PRO A 8 -3.382 -12.144 -4.106 1.00 0.00 C ATOM 72 CD PRO A 8 -4.669 -12.918 -4.034 1.00 0.00 C ATOM 0 HA PRO A 8 -3.354 -13.621 -1.136 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -1.898 -11.766 -2.609 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -1.991 -13.439 -3.120 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -3.572 -11.071 -4.100 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -2.844 -12.367 -5.027 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -5.504 -12.349 -4.444 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -4.610 -13.849 -4.597 1.00 0.00 H new ATOM 80 N VAL A 9 -4.348 -10.524 -1.554 1.00 0.00 N ATOM 81 CA VAL A 9 -4.587 -9.281 -0.830 1.00 0.00 C ATOM 82 C VAL A 9 -6.064 -8.904 -0.860 1.00 0.00 C ATOM 83 O VAL A 9 -6.731 -9.039 -1.887 1.00 0.00 O ATOM 84 CB VAL A 9 -3.761 -8.122 -1.417 1.00 0.00 C ATOM 85 CG1 VAL A 9 -3.707 -8.218 -2.934 1.00 0.00 C ATOM 86 CG2 VAL A 9 -4.336 -6.783 -0.980 1.00 0.00 C ATOM 0 H VAL A 9 -4.610 -10.495 -2.539 1.00 0.00 H new ATOM 0 HA VAL A 9 -4.279 -9.451 0.202 1.00 0.00 H new ATOM 0 HB VAL A 9 -2.742 -8.196 -1.036 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -3.119 -7.390 -3.330 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -3.245 -9.162 -3.223 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -4.718 -8.171 -3.338 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -3.740 -5.975 -1.404 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -5.365 -6.697 -1.330 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -4.316 -6.716 0.108 1.00 0.00 H new ATOM 96 N LYS A 10 -6.571 -8.429 0.273 1.00 0.00 N ATOM 97 CA LYS A 10 -7.969 -8.029 0.378 1.00 0.00 C ATOM 98 C LYS A 10 -8.217 -6.717 -0.360 1.00 0.00 C ATOM 99 O LYS A 10 -7.335 -5.863 -0.440 1.00 0.00 O ATOM 100 CB LYS A 10 -8.370 -7.884 1.848 1.00 0.00 C ATOM 101 CG LYS A 10 -9.790 -8.339 2.138 1.00 0.00 C ATOM 102 CD LYS A 10 -10.331 -7.701 3.407 1.00 0.00 C ATOM 103 CE LYS A 10 -11.576 -8.420 3.905 1.00 0.00 C ATOM 104 NZ LYS A 10 -11.699 -8.352 5.388 1.00 0.00 N ATOM 0 H LYS A 10 -6.034 -8.312 1.132 1.00 0.00 H new ATOM 0 HA LYS A 10 -8.579 -8.805 -0.084 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -7.680 -8.461 2.463 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -8.264 -6.840 2.144 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -10.434 -8.082 1.297 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -9.812 -9.424 2.237 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -9.564 -7.721 4.181 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -10.566 -6.654 3.218 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -12.460 -7.976 3.446 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -11.543 -9.463 3.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -11.819 -9.312 5.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -10.840 -7.924 5.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -12.525 -7.773 5.642 1.00 0.00 H new ATOM 118 N VAL A 11 -9.424 -6.564 -0.895 1.00 0.00 N ATOM 119 CA VAL A 11 -9.788 -5.354 -1.624 1.00 0.00 C ATOM 120 C VAL A 11 -10.792 -4.520 -0.836 1.00 0.00 C ATOM 121 O VAL A 11 -11.979 -4.842 -0.783 1.00 0.00 O ATOM 122 CB VAL A 11 -10.387 -5.689 -3.003 1.00 0.00 C ATOM 123 CG1 VAL A 11 -10.793 -4.417 -3.732 1.00 0.00 C ATOM 124 CG2 VAL A 11 -9.398 -6.495 -3.831 1.00 0.00 C ATOM 0 H VAL A 11 -10.166 -7.262 -0.838 1.00 0.00 H new ATOM 0 HA VAL A 11 -8.872 -4.780 -1.763 1.00 0.00 H new ATOM 0 HB VAL A 11 -11.281 -6.295 -2.854 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -11.214 -4.673 -4.704 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -11.538 -3.882 -3.143 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -9.918 -3.783 -3.872 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -9.837 -6.723 -4.802 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -8.485 -5.916 -3.973 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -9.162 -7.424 -3.313 1.00 0.00 H new ATOM 134 N LEU A 12 -10.307 -3.445 -0.224 1.00 0.00 N ATOM 135 CA LEU A 12 -11.161 -2.561 0.562 1.00 0.00 C ATOM 136 C LEU A 12 -11.843 -1.528 -0.329 1.00 0.00 C ATOM 137 O LEU A 12 -11.260 -1.051 -1.303 1.00 0.00 O ATOM 138 CB LEU A 12 -10.341 -1.856 1.644 1.00 0.00 C ATOM 139 CG LEU A 12 -9.594 -2.766 2.620 1.00 0.00 C ATOM 140 CD1 LEU A 12 -8.665 -1.950 3.506 1.00 0.00 C ATOM 141 CD2 LEU A 12 -10.576 -3.563 3.465 1.00 0.00 C ATOM 0 H LEU A 12 -9.327 -3.164 -0.257 1.00 0.00 H new ATOM 0 HA LEU A 12 -11.931 -3.169 1.037 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -9.615 -1.206 1.156 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -11.009 -1.213 2.217 1.00 0.00 H new ATOM 0 HG LEU A 12 -8.990 -3.467 2.043 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -8.142 -2.614 4.194 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -7.939 -1.425 2.886 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -9.248 -1.225 4.074 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -10.026 -4.205 4.153 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -11.207 -2.879 4.032 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -11.200 -4.178 2.816 1.00 0.00 H new ATOM 153 N VAL A 13 -13.081 -1.185 0.012 1.00 0.00 N ATOM 154 CA VAL A 13 -13.842 -0.206 -0.755 1.00 0.00 C ATOM 155 C VAL A 13 -14.386 0.896 0.147 1.00 0.00 C ATOM 156 O VAL A 13 -14.566 0.698 1.347 1.00 0.00 O ATOM 157 CB VAL A 13 -15.015 -0.868 -1.504 1.00 0.00 C ATOM 158 CG1 VAL A 13 -14.500 -1.730 -2.647 1.00 0.00 C ATOM 159 CG2 VAL A 13 -15.862 -1.690 -0.545 1.00 0.00 C ATOM 0 H VAL A 13 -13.578 -1.571 0.815 1.00 0.00 H new ATOM 0 HA VAL A 13 -13.156 0.229 -1.482 1.00 0.00 H new ATOM 0 HB VAL A 13 -15.643 -0.084 -1.927 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -15.342 -2.189 -3.164 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -13.939 -1.110 -3.346 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -13.849 -2.509 -2.250 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -16.686 -2.150 -1.090 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -15.247 -2.468 -0.092 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -16.261 -1.042 0.235 1.00 0.00 H new ATOM 169 N GLY A 14 -14.648 2.059 -0.442 1.00 0.00 N ATOM 170 CA GLY A 14 -15.170 3.176 0.323 1.00 0.00 C ATOM 171 C GLY A 14 -16.451 2.829 1.056 1.00 0.00 C ATOM 172 O GLY A 14 -16.910 3.586 1.912 1.00 0.00 O ATOM 0 H GLY A 14 -14.508 2.247 -1.435 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -14.420 3.501 1.044 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -15.354 4.016 -0.346 1.00 0.00 H new ATOM 176 N LYS A 15 -17.031 1.682 0.720 1.00 0.00 N ATOM 177 CA LYS A 15 -18.266 1.235 1.352 1.00 0.00 C ATOM 178 C LYS A 15 -17.988 0.628 2.723 1.00 0.00 C ATOM 179 O LYS A 15 -18.466 1.126 3.741 1.00 0.00 O ATOM 180 CB LYS A 15 -18.976 0.211 0.463 1.00 0.00 C ATOM 181 CG LYS A 15 -20.161 -0.460 1.135 1.00 0.00 C ATOM 182 CD LYS A 15 -21.444 0.325 0.918 1.00 0.00 C ATOM 183 CE LYS A 15 -22.653 -0.594 0.841 1.00 0.00 C ATOM 184 NZ LYS A 15 -23.889 0.073 1.336 1.00 0.00 N ATOM 0 H LYS A 15 -16.665 1.045 0.013 1.00 0.00 H new ATOM 0 HA LYS A 15 -18.912 2.103 1.484 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -19.317 0.706 -0.446 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -18.260 -0.553 0.160 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -20.280 -1.469 0.741 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -19.968 -0.555 2.204 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -21.578 1.037 1.732 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -21.366 0.904 -0.002 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -22.801 -0.914 -0.190 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -22.465 -1.492 1.429 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -24.691 -0.586 1.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -23.757 0.356 2.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -24.083 0.916 0.759 1.00 0.00 H new ATOM 198 N ASN A 16 -17.212 -0.451 2.741 1.00 0.00 N ATOM 199 CA ASN A 16 -16.869 -1.125 3.988 1.00 0.00 C ATOM 200 C ASN A 16 -15.369 -1.050 4.253 1.00 0.00 C ATOM 201 O ASN A 16 -14.806 -1.901 4.942 1.00 0.00 O ATOM 202 CB ASN A 16 -17.318 -2.588 3.941 1.00 0.00 C ATOM 203 CG ASN A 16 -16.682 -3.351 2.795 1.00 0.00 C ATOM 204 OD1 ASN A 16 -17.256 -3.457 1.711 1.00 0.00 O ATOM 205 ND2 ASN A 16 -15.490 -3.886 3.030 1.00 0.00 N ATOM 0 H ASN A 16 -16.809 -0.877 1.906 1.00 0.00 H new ATOM 0 HA ASN A 16 -17.389 -0.618 4.801 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -17.064 -3.074 4.883 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -18.403 -2.629 3.844 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -15.013 -4.410 2.297 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -15.051 -3.773 3.944 1.00 0.00 H new ATOM 212 N PHE A 17 -14.727 -0.026 3.701 1.00 0.00 N ATOM 213 CA PHE A 17 -13.291 0.161 3.877 1.00 0.00 C ATOM 214 C PHE A 17 -12.923 0.183 5.357 1.00 0.00 C ATOM 215 O PHE A 17 -12.163 -0.662 5.831 1.00 0.00 O ATOM 216 CB PHE A 17 -12.839 1.460 3.208 1.00 0.00 C ATOM 217 CG PHE A 17 -11.650 2.095 3.872 1.00 0.00 C ATOM 218 CD1 PHE A 17 -10.405 1.489 3.819 1.00 0.00 C ATOM 219 CD2 PHE A 17 -11.779 3.296 4.550 1.00 0.00 C ATOM 220 CE1 PHE A 17 -9.311 2.071 4.430 1.00 0.00 C ATOM 221 CE2 PHE A 17 -10.687 3.883 5.163 1.00 0.00 C ATOM 222 CZ PHE A 17 -9.451 3.269 5.102 1.00 0.00 C ATOM 0 H PHE A 17 -15.178 0.687 3.128 1.00 0.00 H new ATOM 0 HA PHE A 17 -12.780 -0.679 3.406 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -12.597 1.257 2.165 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -13.668 2.168 3.211 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -10.289 0.552 3.295 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -12.743 3.780 4.601 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -8.346 1.589 4.382 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -10.800 4.820 5.688 1.00 0.00 H new ATOM 0 HZ PHE A 17 -8.596 3.725 5.579 1.00 0.00 H new ATOM 232 N GLU A 18 -13.467 1.155 6.082 1.00 0.00 N ATOM 233 CA GLU A 18 -13.195 1.288 7.508 1.00 0.00 C ATOM 234 C GLU A 18 -13.724 0.082 8.278 1.00 0.00 C ATOM 235 O GLU A 18 -13.212 -0.261 9.344 1.00 0.00 O ATOM 236 CB GLU A 18 -13.826 2.571 8.053 1.00 0.00 C ATOM 237 CG GLU A 18 -13.526 3.802 7.213 1.00 0.00 C ATOM 238 CD GLU A 18 -14.565 4.040 6.135 1.00 0.00 C ATOM 239 OE1 GLU A 18 -15.328 3.099 5.830 1.00 0.00 O ATOM 240 OE2 GLU A 18 -14.616 5.165 5.597 1.00 0.00 O ATOM 0 H GLU A 18 -14.099 1.862 5.705 1.00 0.00 H new ATOM 0 HA GLU A 18 -12.114 1.337 7.642 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -14.906 2.437 8.114 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -13.468 2.739 9.069 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -13.474 4.676 7.862 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -12.546 3.691 6.749 1.00 0.00 H new ATOM 247 N ASP A 19 -14.751 -0.558 7.730 1.00 0.00 N ATOM 248 CA ASP A 19 -15.350 -1.727 8.364 1.00 0.00 C ATOM 249 C ASP A 19 -14.345 -2.871 8.454 1.00 0.00 C ATOM 250 O ASP A 19 -14.384 -3.673 9.387 1.00 0.00 O ATOM 251 CB ASP A 19 -16.587 -2.178 7.585 1.00 0.00 C ATOM 252 CG ASP A 19 -17.820 -1.371 7.940 1.00 0.00 C ATOM 253 OD1 ASP A 19 -18.182 -1.334 9.135 1.00 0.00 O ATOM 254 OD2 ASP A 19 -18.423 -0.775 7.023 1.00 0.00 O ATOM 0 H ASP A 19 -15.186 -0.287 6.848 1.00 0.00 H new ATOM 0 HA ASP A 19 -15.648 -1.449 9.375 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -16.393 -2.088 6.516 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -16.776 -3.232 7.787 1.00 0.00 H new ATOM 259 N VAL A 20 -13.446 -2.940 7.478 1.00 0.00 N ATOM 260 CA VAL A 20 -12.430 -3.986 7.447 1.00 0.00 C ATOM 261 C VAL A 20 -11.096 -3.472 7.975 1.00 0.00 C ATOM 262 O VAL A 20 -10.541 -4.020 8.927 1.00 0.00 O ATOM 263 CB VAL A 20 -12.229 -4.531 6.020 1.00 0.00 C ATOM 264 CG1 VAL A 20 -10.929 -5.315 5.926 1.00 0.00 C ATOM 265 CG2 VAL A 20 -13.413 -5.393 5.608 1.00 0.00 C ATOM 0 H VAL A 20 -13.400 -2.284 6.698 1.00 0.00 H new ATOM 0 HA VAL A 20 -12.786 -4.792 8.089 1.00 0.00 H new ATOM 0 HB VAL A 20 -12.166 -3.687 5.332 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -10.804 -5.692 4.911 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -10.092 -4.663 6.176 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -10.958 -6.152 6.623 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -13.255 -5.770 4.598 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -13.510 -6.232 6.297 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -14.324 -4.796 5.634 1.00 0.00 H new ATOM 275 N ALA A 21 -10.586 -2.415 7.351 1.00 0.00 N ATOM 276 CA ALA A 21 -9.318 -1.825 7.760 1.00 0.00 C ATOM 277 C ALA A 21 -9.240 -1.688 9.277 1.00 0.00 C ATOM 278 O ALA A 21 -8.373 -2.281 9.920 1.00 0.00 O ATOM 279 CB ALA A 21 -9.127 -0.469 7.096 1.00 0.00 C ATOM 0 H ALA A 21 -11.032 -1.950 6.560 1.00 0.00 H new ATOM 0 HA ALA A 21 -8.517 -2.490 7.439 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -8.176 -0.040 7.411 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -9.129 -0.591 6.013 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -9.939 0.197 7.388 1.00 0.00 H new ATOM 285 N PHE A 22 -10.149 -0.902 9.843 1.00 0.00 N ATOM 286 CA PHE A 22 -10.182 -0.686 11.285 1.00 0.00 C ATOM 287 C PHE A 22 -10.852 -1.858 11.996 1.00 0.00 C ATOM 288 O PHE A 22 -12.061 -1.850 12.225 1.00 0.00 O ATOM 289 CB PHE A 22 -10.923 0.613 11.611 1.00 0.00 C ATOM 290 CG PHE A 22 -10.212 1.845 11.129 1.00 0.00 C ATOM 291 CD1 PHE A 22 -8.840 1.973 11.277 1.00 0.00 C ATOM 292 CD2 PHE A 22 -10.916 2.876 10.528 1.00 0.00 C ATOM 293 CE1 PHE A 22 -8.184 3.106 10.835 1.00 0.00 C ATOM 294 CE2 PHE A 22 -10.265 4.012 10.083 1.00 0.00 C ATOM 295 CZ PHE A 22 -8.897 4.126 10.236 1.00 0.00 C ATOM 0 H PHE A 22 -10.873 -0.404 9.325 1.00 0.00 H new ATOM 0 HA PHE A 22 -9.154 -0.609 11.639 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -11.916 0.578 11.163 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -11.062 0.682 12.690 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -8.277 1.178 11.743 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -11.986 2.791 10.406 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -7.115 3.194 10.958 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -10.825 4.809 9.617 1.00 0.00 H new ATOM 0 HZ PHE A 22 -8.386 5.011 9.888 1.00 0.00 H new ATOM 305 N ASP A 23 -10.057 -2.865 12.341 1.00 0.00 N ATOM 306 CA ASP A 23 -10.571 -4.045 13.026 1.00 0.00 C ATOM 307 C ASP A 23 -9.774 -4.327 14.296 1.00 0.00 C ATOM 308 O ASP A 23 -8.640 -4.800 14.235 1.00 0.00 O ATOM 309 CB ASP A 23 -10.523 -5.261 12.098 1.00 0.00 C ATOM 310 CG ASP A 23 -11.754 -5.368 11.221 1.00 0.00 C ATOM 311 OD1 ASP A 23 -12.256 -4.317 10.772 1.00 0.00 O ATOM 312 OD2 ASP A 23 -12.217 -6.504 10.983 1.00 0.00 O ATOM 0 H ASP A 23 -9.054 -2.888 12.157 1.00 0.00 H new ATOM 0 HA ASP A 23 -11.607 -3.851 13.305 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -9.636 -5.199 11.468 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -10.426 -6.167 12.696 1.00 0.00 H new ATOM 317 N GLU A 24 -10.376 -4.032 15.444 1.00 0.00 N ATOM 318 CA GLU A 24 -9.720 -4.252 16.727 1.00 0.00 C ATOM 319 C GLU A 24 -9.125 -5.655 16.801 1.00 0.00 C ATOM 320 O GLU A 24 -9.723 -6.621 16.328 1.00 0.00 O ATOM 321 CB GLU A 24 -10.713 -4.047 17.874 1.00 0.00 C ATOM 322 CG GLU A 24 -11.829 -5.077 17.904 1.00 0.00 C ATOM 323 CD GLU A 24 -13.100 -4.543 18.535 1.00 0.00 C ATOM 324 OE1 GLU A 24 -13.244 -4.662 19.770 1.00 0.00 O ATOM 325 OE2 GLU A 24 -13.950 -4.005 17.796 1.00 0.00 O ATOM 0 H GLU A 24 -11.316 -3.641 15.511 1.00 0.00 H new ATOM 0 HA GLU A 24 -8.911 -3.528 16.821 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -10.174 -4.080 18.821 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -11.150 -3.052 17.791 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -12.043 -5.405 16.887 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -11.494 -5.954 18.458 1.00 0.00 H new ATOM 332 N LYS A 25 -7.941 -5.758 17.396 1.00 0.00 N ATOM 333 CA LYS A 25 -7.263 -7.041 17.533 1.00 0.00 C ATOM 334 C LYS A 25 -6.848 -7.586 16.170 1.00 0.00 C ATOM 335 O LYS A 25 -6.789 -8.798 15.966 1.00 0.00 O ATOM 336 CB LYS A 25 -8.171 -8.049 18.241 1.00 0.00 C ATOM 337 CG LYS A 25 -8.785 -7.517 19.525 1.00 0.00 C ATOM 338 CD LYS A 25 -7.891 -7.788 20.724 1.00 0.00 C ATOM 339 CE LYS A 25 -8.535 -7.311 22.017 1.00 0.00 C ATOM 340 NZ LYS A 25 -8.327 -5.853 22.235 1.00 0.00 N ATOM 0 H LYS A 25 -7.431 -4.968 17.791 1.00 0.00 H new ATOM 0 HA LYS A 25 -6.366 -6.886 18.132 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -8.970 -8.345 17.562 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -7.596 -8.947 18.468 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -8.954 -6.444 19.431 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -9.759 -7.981 19.683 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -7.684 -8.856 20.791 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -6.933 -7.286 20.586 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -9.603 -7.526 21.991 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -8.118 -7.867 22.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -8.781 -5.567 23.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -7.308 -5.651 22.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -8.747 -5.321 21.446 1.00 0.00 H new ATOM 354 N LYS A 26 -6.559 -6.682 15.240 1.00 0.00 N ATOM 355 CA LYS A 26 -6.146 -7.070 13.897 1.00 0.00 C ATOM 356 C LYS A 26 -5.356 -5.951 13.225 1.00 0.00 C ATOM 357 O LYS A 26 -5.858 -4.841 13.054 1.00 0.00 O ATOM 358 CB LYS A 26 -7.369 -7.426 13.048 1.00 0.00 C ATOM 359 CG LYS A 26 -7.072 -7.517 11.561 1.00 0.00 C ATOM 360 CD LYS A 26 -6.475 -8.865 11.193 1.00 0.00 C ATOM 361 CE LYS A 26 -7.544 -9.942 11.103 1.00 0.00 C ATOM 362 NZ LYS A 26 -6.960 -11.282 10.819 1.00 0.00 N ATOM 0 H LYS A 26 -6.603 -5.674 15.392 1.00 0.00 H new ATOM 0 HA LYS A 26 -5.502 -7.945 13.981 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -7.772 -8.380 13.388 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -8.144 -6.677 13.210 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -7.990 -7.358 10.995 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -6.381 -6.723 11.278 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -5.956 -8.786 10.238 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -5.731 -9.150 11.937 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -8.101 -9.980 12.039 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -8.256 -9.683 10.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -7.268 -11.603 9.879 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -5.922 -11.220 10.841 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -7.282 -11.960 11.539 1.00 0.00 H new ATOM 376 N ASN A 27 -4.118 -6.252 12.846 1.00 0.00 N ATOM 377 CA ASN A 27 -3.259 -5.272 12.192 1.00 0.00 C ATOM 378 C ASN A 27 -3.426 -5.327 10.677 1.00 0.00 C ATOM 379 O ASN A 27 -2.813 -6.155 10.003 1.00 0.00 O ATOM 380 CB ASN A 27 -1.796 -5.516 12.565 1.00 0.00 C ATOM 381 CG ASN A 27 -1.595 -5.650 14.062 1.00 0.00 C ATOM 382 OD1 ASN A 27 -1.703 -6.874 14.566 1.00 0.00 O flip ATOM 383 ND2 ASN A 27 -1.345 -4.665 14.757 1.00 0.00 N flip ATOM 0 H ASN A 27 -3.687 -7.167 12.981 1.00 0.00 H new ATOM 0 HA ASN A 27 -3.554 -4.281 12.536 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -1.444 -6.422 12.072 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -1.187 -4.693 12.192 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -1.271 -3.743 14.327 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -1.212 -4.771 15.763 1.00 0.00 H new ATOM 390 N VAL A 28 -4.260 -4.438 10.146 1.00 0.00 N ATOM 391 CA VAL A 28 -4.507 -4.384 8.710 1.00 0.00 C ATOM 392 C VAL A 28 -3.640 -3.322 8.043 1.00 0.00 C ATOM 393 O VAL A 28 -3.612 -2.169 8.472 1.00 0.00 O ATOM 394 CB VAL A 28 -5.988 -4.087 8.406 1.00 0.00 C ATOM 395 CG1 VAL A 28 -6.239 -4.108 6.906 1.00 0.00 C ATOM 396 CG2 VAL A 28 -6.888 -5.084 9.120 1.00 0.00 C ATOM 0 H VAL A 28 -4.776 -3.746 10.689 1.00 0.00 H new ATOM 0 HA VAL A 28 -4.250 -5.364 8.308 1.00 0.00 H new ATOM 0 HB VAL A 28 -6.225 -3.089 8.776 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -7.290 -3.896 6.710 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -5.620 -3.352 6.423 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -5.987 -5.091 6.509 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -7.931 -4.860 8.894 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -6.653 -6.093 8.782 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -6.727 -5.014 10.196 1.00 0.00 H new ATOM 406 N PHE A 29 -2.933 -3.720 6.990 1.00 0.00 N ATOM 407 CA PHE A 29 -2.063 -2.802 6.263 1.00 0.00 C ATOM 408 C PHE A 29 -2.662 -2.445 4.906 1.00 0.00 C ATOM 409 O PHE A 29 -2.558 -3.211 3.948 1.00 0.00 O ATOM 410 CB PHE A 29 -0.677 -3.422 6.074 1.00 0.00 C ATOM 411 CG PHE A 29 0.301 -2.508 5.392 1.00 0.00 C ATOM 412 CD1 PHE A 29 0.125 -1.134 5.428 1.00 0.00 C ATOM 413 CD2 PHE A 29 1.395 -3.022 4.716 1.00 0.00 C ATOM 414 CE1 PHE A 29 1.023 -0.290 4.802 1.00 0.00 C ATOM 415 CE2 PHE A 29 2.296 -2.183 4.089 1.00 0.00 C ATOM 416 CZ PHE A 29 2.109 -0.815 4.131 1.00 0.00 C ATOM 0 H PHE A 29 -2.945 -4.671 6.621 1.00 0.00 H new ATOM 0 HA PHE A 29 -1.968 -1.889 6.850 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -0.279 -3.705 7.048 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -0.774 -4.338 5.491 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -0.723 -0.718 5.951 1.00 0.00 H new ATOM 0 HD2 PHE A 29 1.546 -4.091 4.679 1.00 0.00 H new ATOM 0 HE1 PHE A 29 0.875 0.779 4.838 1.00 0.00 H new ATOM 0 HE2 PHE A 29 3.146 -2.596 3.566 1.00 0.00 H new ATOM 0 HZ PHE A 29 2.811 -0.158 3.640 1.00 0.00 H new ATOM 426 N VAL A 30 -3.292 -1.277 4.833 1.00 0.00 N ATOM 427 CA VAL A 30 -3.908 -0.817 3.594 1.00 0.00 C ATOM 428 C VAL A 30 -2.883 -0.145 2.687 1.00 0.00 C ATOM 429 O VAL A 30 -1.845 0.327 3.150 1.00 0.00 O ATOM 430 CB VAL A 30 -5.057 0.171 3.872 1.00 0.00 C ATOM 431 CG1 VAL A 30 -5.807 0.493 2.588 1.00 0.00 C ATOM 432 CG2 VAL A 30 -6.001 -0.393 4.923 1.00 0.00 C ATOM 0 H VAL A 30 -3.389 -0.632 5.617 1.00 0.00 H new ATOM 0 HA VAL A 30 -4.309 -1.698 3.094 1.00 0.00 H new ATOM 0 HB VAL A 30 -4.631 1.097 4.258 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -6.615 1.192 2.804 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -5.122 0.942 1.869 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -6.223 -0.424 2.170 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -6.807 0.318 5.107 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -6.421 -1.334 4.567 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -5.452 -0.568 5.849 1.00 0.00 H new ATOM 442 N GLU A 31 -3.183 -0.105 1.392 1.00 0.00 N ATOM 443 CA GLU A 31 -2.287 0.509 0.420 1.00 0.00 C ATOM 444 C GLU A 31 -3.067 1.357 -0.580 1.00 0.00 C ATOM 445 O GLU A 31 -3.733 0.829 -1.472 1.00 0.00 O ATOM 446 CB GLU A 31 -1.487 -0.566 -0.320 1.00 0.00 C ATOM 447 CG GLU A 31 -0.939 -0.102 -1.659 1.00 0.00 C ATOM 448 CD GLU A 31 -0.335 -1.236 -2.466 1.00 0.00 C ATOM 449 OE1 GLU A 31 0.877 -1.494 -2.312 1.00 0.00 O ATOM 450 OE2 GLU A 31 -1.075 -1.865 -3.250 1.00 0.00 O ATOM 0 H GLU A 31 -4.039 -0.490 0.993 1.00 0.00 H new ATOM 0 HA GLU A 31 -1.597 1.158 0.960 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -0.658 -0.889 0.310 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -2.124 -1.436 -0.479 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -1.740 0.362 -2.234 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -0.182 0.664 -1.492 1.00 0.00 H new ATOM 457 N PHE A 32 -2.982 2.673 -0.425 1.00 0.00 N ATOM 458 CA PHE A 32 -3.681 3.595 -1.313 1.00 0.00 C ATOM 459 C PHE A 32 -2.903 3.796 -2.610 1.00 0.00 C ATOM 460 O PHE A 32 -1.923 4.540 -2.650 1.00 0.00 O ATOM 461 CB PHE A 32 -3.894 4.942 -0.619 1.00 0.00 C ATOM 462 CG PHE A 32 -4.766 4.856 0.601 1.00 0.00 C ATOM 463 CD1 PHE A 32 -6.147 4.894 0.486 1.00 0.00 C ATOM 464 CD2 PHE A 32 -4.206 4.739 1.863 1.00 0.00 C ATOM 465 CE1 PHE A 32 -6.952 4.815 1.607 1.00 0.00 C ATOM 466 CE2 PHE A 32 -5.006 4.659 2.987 1.00 0.00 C ATOM 467 CZ PHE A 32 -6.381 4.699 2.859 1.00 0.00 C ATOM 0 H PHE A 32 -2.436 3.126 0.308 1.00 0.00 H new ATOM 0 HA PHE A 32 -4.651 3.161 -1.555 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -2.925 5.353 -0.335 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -4.341 5.640 -1.327 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -6.599 4.986 -0.490 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -3.132 4.710 1.969 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -8.027 4.844 1.504 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -4.557 4.565 3.965 1.00 0.00 H new ATOM 0 HZ PHE A 32 -7.008 4.640 3.736 1.00 0.00 H new ATOM 477 N TYR A 33 -3.347 3.128 -3.668 1.00 0.00 N ATOM 478 CA TYR A 33 -2.692 3.230 -4.967 1.00 0.00 C ATOM 479 C TYR A 33 -3.577 3.966 -5.967 1.00 0.00 C ATOM 480 O TYR A 33 -4.742 4.251 -5.691 1.00 0.00 O ATOM 481 CB TYR A 33 -2.350 1.837 -5.500 1.00 0.00 C ATOM 482 CG TYR A 33 -3.563 1.027 -5.898 1.00 0.00 C ATOM 483 CD1 TYR A 33 -4.208 1.253 -7.107 1.00 0.00 C ATOM 484 CD2 TYR A 33 -4.063 0.034 -5.065 1.00 0.00 C ATOM 485 CE1 TYR A 33 -5.317 0.516 -7.474 1.00 0.00 C ATOM 486 CE2 TYR A 33 -5.170 -0.710 -5.424 1.00 0.00 C ATOM 487 CZ TYR A 33 -5.794 -0.465 -6.630 1.00 0.00 C ATOM 488 OH TYR A 33 -6.897 -1.203 -6.992 1.00 0.00 O ATOM 0 H TYR A 33 -4.158 2.510 -3.652 1.00 0.00 H new ATOM 0 HA TYR A 33 -1.771 3.799 -4.837 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -1.692 1.939 -6.363 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -1.794 1.292 -4.738 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -3.836 2.018 -7.772 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -3.578 -0.160 -4.120 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -5.808 0.707 -8.417 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -5.545 -1.479 -4.765 1.00 0.00 H new ATOM 0 HH TYR A 33 -7.646 -0.985 -6.398 1.00 0.00 H new ATOM 498 N ALA A 34 -3.015 4.272 -7.132 1.00 0.00 N ATOM 499 CA ALA A 34 -3.753 4.973 -8.176 1.00 0.00 C ATOM 500 C ALA A 34 -3.650 4.238 -9.508 1.00 0.00 C ATOM 501 O ALA A 34 -2.585 3.763 -9.902 1.00 0.00 O ATOM 502 CB ALA A 34 -3.242 6.399 -8.317 1.00 0.00 C ATOM 0 H ALA A 34 -2.051 4.045 -7.377 1.00 0.00 H new ATOM 0 HA ALA A 34 -4.804 5.002 -7.887 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -3.802 6.910 -9.100 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -3.373 6.928 -7.373 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -2.184 6.382 -8.579 1.00 0.00 H new ATOM 508 N PRO A 35 -4.782 4.141 -10.220 1.00 0.00 N ATOM 509 CA PRO A 35 -4.845 3.465 -11.520 1.00 0.00 C ATOM 510 C PRO A 35 -4.110 4.236 -12.611 1.00 0.00 C ATOM 511 O PRO A 35 -4.016 3.780 -13.750 1.00 0.00 O ATOM 512 CB PRO A 35 -6.345 3.412 -11.820 1.00 0.00 C ATOM 513 CG PRO A 35 -6.925 4.551 -11.055 1.00 0.00 C ATOM 514 CD PRO A 35 -6.089 4.684 -9.812 1.00 0.00 C ATOM 0 HA PRO A 35 -4.367 2.486 -11.494 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -6.539 3.513 -12.888 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -6.778 2.463 -11.506 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -6.899 5.469 -11.642 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -7.969 4.362 -10.805 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -6.010 5.722 -9.490 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -6.515 4.124 -8.980 1.00 0.00 H new ATOM 522 N TRP A 36 -3.591 5.406 -12.254 1.00 0.00 N ATOM 523 CA TRP A 36 -2.864 6.240 -13.204 1.00 0.00 C ATOM 524 C TRP A 36 -1.426 6.457 -12.748 1.00 0.00 C ATOM 525 O TRP A 36 -0.526 6.645 -13.568 1.00 0.00 O ATOM 526 CB TRP A 36 -3.567 7.588 -13.373 1.00 0.00 C ATOM 527 CG TRP A 36 -4.337 8.012 -12.160 1.00 0.00 C ATOM 528 CD1 TRP A 36 -5.653 7.760 -11.894 1.00 0.00 C ATOM 529 CD2 TRP A 36 -3.839 8.766 -11.049 1.00 0.00 C ATOM 530 NE1 TRP A 36 -6.003 8.311 -10.685 1.00 0.00 N ATOM 531 CE2 TRP A 36 -4.907 8.933 -10.146 1.00 0.00 C ATOM 532 CE3 TRP A 36 -2.594 9.314 -10.728 1.00 0.00 C ATOM 533 CZ2 TRP A 36 -4.766 9.626 -8.946 1.00 0.00 C ATOM 534 CZ3 TRP A 36 -2.456 10.001 -9.537 1.00 0.00 C ATOM 535 CH2 TRP A 36 -3.536 10.152 -8.658 1.00 0.00 C ATOM 0 H TRP A 36 -3.660 5.798 -11.315 1.00 0.00 H new ATOM 0 HA TRP A 36 -2.847 5.724 -14.164 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -2.824 8.350 -13.608 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -4.246 7.532 -14.224 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -6.321 7.208 -12.539 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -6.928 8.265 -10.258 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -1.755 9.203 -11.399 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -5.598 9.744 -8.267 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -1.499 10.429 -9.279 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -3.395 10.694 -7.735 1.00 0.00 H new ATOM 546 N CYS A 37 -1.215 6.430 -11.436 1.00 0.00 N ATOM 547 CA CYS A 37 0.115 6.625 -10.871 1.00 0.00 C ATOM 548 C CYS A 37 1.093 5.586 -11.412 1.00 0.00 C ATOM 549 O CYS A 37 0.920 4.387 -11.201 1.00 0.00 O ATOM 550 CB CYS A 37 0.061 6.545 -9.345 1.00 0.00 C ATOM 551 SG CYS A 37 1.681 6.598 -8.545 1.00 0.00 S ATOM 0 H CYS A 37 -1.948 6.275 -10.744 1.00 0.00 H new ATOM 0 HA CYS A 37 0.465 7.615 -11.163 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -0.545 7.370 -8.970 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -0.444 5.623 -9.058 1.00 0.00 H new ATOM 0 HG CYS A 37 1.740 7.627 -7.753 1.00 0.00 H new ATOM 557 N GLY A 38 2.120 6.057 -12.113 1.00 0.00 N ATOM 558 CA GLY A 38 3.109 5.156 -12.675 1.00 0.00 C ATOM 559 C GLY A 38 3.756 4.276 -11.624 1.00 0.00 C ATOM 560 O GLY A 38 3.989 3.089 -11.855 1.00 0.00 O ATOM 0 H GLY A 38 2.285 7.046 -12.302 1.00 0.00 H new ATOM 0 HA2 GLY A 38 2.636 4.527 -13.430 1.00 0.00 H new ATOM 0 HA3 GLY A 38 3.879 5.737 -13.182 1.00 0.00 H new ATOM 564 N HIS A 39 4.049 4.859 -10.466 1.00 0.00 N ATOM 565 CA HIS A 39 4.675 4.119 -9.375 1.00 0.00 C ATOM 566 C HIS A 39 3.781 2.972 -8.914 1.00 0.00 C ATOM 567 O HIS A 39 4.269 1.907 -8.532 1.00 0.00 O ATOM 568 CB HIS A 39 4.971 5.054 -8.201 1.00 0.00 C ATOM 569 CG HIS A 39 6.271 5.786 -8.332 1.00 0.00 C ATOM 570 ND1 HIS A 39 7.121 6.006 -7.269 1.00 0.00 N ATOM 571 CD2 HIS A 39 6.865 6.348 -9.410 1.00 0.00 C ATOM 572 CE1 HIS A 39 8.181 6.673 -7.687 1.00 0.00 C ATOM 573 NE2 HIS A 39 8.051 6.893 -8.982 1.00 0.00 N ATOM 0 H HIS A 39 3.863 5.840 -10.259 1.00 0.00 H new ATOM 0 HA HIS A 39 5.612 3.701 -9.742 1.00 0.00 H new ATOM 0 HB2 HIS A 39 4.162 5.779 -8.112 1.00 0.00 H new ATOM 0 HB3 HIS A 39 4.982 4.474 -7.278 1.00 0.00 H new ATOM 0 HD2 HIS A 39 6.479 6.365 -10.418 1.00 0.00 H new ATOM 0 HE1 HIS A 39 9.013 6.986 -7.074 1.00 0.00 H new ATOM 0 HE2 HIS A 39 8.722 7.387 -9.570 1.00 0.00 H new ATOM 582 N CYS A 40 2.472 3.196 -8.952 1.00 0.00 N ATOM 583 CA CYS A 40 1.511 2.181 -8.536 1.00 0.00 C ATOM 584 C CYS A 40 1.634 0.929 -9.399 1.00 0.00 C ATOM 585 O CYS A 40 1.733 -0.186 -8.885 1.00 0.00 O ATOM 586 CB CYS A 40 0.087 2.733 -8.619 1.00 0.00 C ATOM 587 SG CYS A 40 -1.183 1.468 -8.861 1.00 0.00 S ATOM 0 H CYS A 40 2.052 4.071 -9.266 1.00 0.00 H new ATOM 0 HA CYS A 40 1.730 1.911 -7.503 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -0.132 3.282 -7.703 1.00 0.00 H new ATOM 0 HB3 CYS A 40 0.033 3.448 -9.440 1.00 0.00 H new ATOM 0 HG CYS A 40 -2.205 1.990 -9.471 1.00 0.00 H new ATOM 593 N LYS A 41 1.627 1.120 -10.714 1.00 0.00 N ATOM 594 CA LYS A 41 1.738 0.007 -11.650 1.00 0.00 C ATOM 595 C LYS A 41 2.867 -0.935 -11.244 1.00 0.00 C ATOM 596 O LYS A 41 2.863 -2.112 -11.603 1.00 0.00 O ATOM 597 CB LYS A 41 1.980 0.529 -13.068 1.00 0.00 C ATOM 598 CG LYS A 41 0.750 1.151 -13.706 1.00 0.00 C ATOM 599 CD LYS A 41 1.106 1.929 -14.961 1.00 0.00 C ATOM 600 CE LYS A 41 -0.129 2.536 -15.610 1.00 0.00 C ATOM 601 NZ LYS A 41 0.225 3.610 -16.579 1.00 0.00 N ATOM 0 H LYS A 41 1.546 2.036 -11.156 1.00 0.00 H new ATOM 0 HA LYS A 41 0.800 -0.548 -11.629 1.00 0.00 H new ATOM 0 HB2 LYS A 41 2.779 1.270 -13.042 1.00 0.00 H new ATOM 0 HB3 LYS A 41 2.327 -0.293 -13.694 1.00 0.00 H new ATOM 0 HG2 LYS A 41 0.032 0.369 -13.953 1.00 0.00 H new ATOM 0 HG3 LYS A 41 0.264 1.815 -12.991 1.00 0.00 H new ATOM 0 HD2 LYS A 41 1.813 2.720 -14.712 1.00 0.00 H new ATOM 0 HD3 LYS A 41 1.604 1.268 -15.671 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -0.691 1.755 -16.123 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -0.782 2.944 -14.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -0.643 3.998 -17.000 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 0.739 4.367 -16.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 0.827 3.216 -17.330 1.00 0.00 H new ATOM 615 N GLN A 42 3.829 -0.409 -10.492 1.00 0.00 N ATOM 616 CA GLN A 42 4.962 -1.205 -10.037 1.00 0.00 C ATOM 617 C GLN A 42 4.681 -1.824 -8.672 1.00 0.00 C ATOM 618 O GLN A 42 5.240 -2.864 -8.322 1.00 0.00 O ATOM 619 CB GLN A 42 6.224 -0.342 -9.969 1.00 0.00 C ATOM 620 CG GLN A 42 6.835 -0.049 -11.329 1.00 0.00 C ATOM 621 CD GLN A 42 7.863 -1.085 -11.742 1.00 0.00 C ATOM 622 OE1 GLN A 42 8.913 -1.219 -11.113 1.00 0.00 O ATOM 623 NE2 GLN A 42 7.565 -1.824 -12.804 1.00 0.00 N ATOM 0 H GLN A 42 3.846 0.564 -10.186 1.00 0.00 H new ATOM 0 HA GLN A 42 5.119 -2.010 -10.755 1.00 0.00 H new ATOM 0 HB2 GLN A 42 5.983 0.601 -9.478 1.00 0.00 H new ATOM 0 HB3 GLN A 42 6.965 -0.845 -9.348 1.00 0.00 H new ATOM 0 HG2 GLN A 42 6.044 -0.009 -12.078 1.00 0.00 H new ATOM 0 HG3 GLN A 42 7.304 0.935 -11.308 1.00 0.00 H new ATOM 0 HE21 GLN A 42 6.683 -1.679 -13.295 1.00 0.00 H new ATOM 0 HE22 GLN A 42 8.218 -2.537 -13.129 1.00 0.00 H new ATOM 632 N LEU A 43 3.810 -1.178 -7.904 1.00 0.00 N ATOM 633 CA LEU A 43 3.454 -1.664 -6.576 1.00 0.00 C ATOM 634 C LEU A 43 2.376 -2.740 -6.661 1.00 0.00 C ATOM 635 O LEU A 43 2.160 -3.493 -5.712 1.00 0.00 O ATOM 636 CB LEU A 43 2.967 -0.507 -5.701 1.00 0.00 C ATOM 637 CG LEU A 43 3.046 -0.729 -4.190 1.00 0.00 C ATOM 638 CD1 LEU A 43 4.495 -0.805 -3.736 1.00 0.00 C ATOM 639 CD2 LEU A 43 2.310 0.378 -3.449 1.00 0.00 C ATOM 0 H LEU A 43 3.338 -0.317 -8.178 1.00 0.00 H new ATOM 0 HA LEU A 43 4.345 -2.102 -6.126 1.00 0.00 H new ATOM 0 HB2 LEU A 43 3.550 0.380 -5.949 1.00 0.00 H new ATOM 0 HB3 LEU A 43 1.931 -0.291 -5.963 1.00 0.00 H new ATOM 0 HG LEU A 43 2.564 -1.678 -3.956 1.00 0.00 H new ATOM 0 HD11 LEU A 43 4.531 -0.963 -2.658 1.00 0.00 H new ATOM 0 HD12 LEU A 43 4.992 -1.634 -4.241 1.00 0.00 H new ATOM 0 HD13 LEU A 43 5.003 0.127 -3.983 1.00 0.00 H new ATOM 0 HD21 LEU A 43 2.377 0.204 -2.375 1.00 0.00 H new ATOM 0 HD22 LEU A 43 2.763 1.340 -3.689 1.00 0.00 H new ATOM 0 HD23 LEU A 43 1.263 0.384 -3.751 1.00 0.00 H new ATOM 651 N ALA A 44 1.703 -2.807 -7.805 1.00 0.00 N ATOM 652 CA ALA A 44 0.651 -3.794 -8.016 1.00 0.00 C ATOM 653 C ALA A 44 1.143 -5.200 -7.688 1.00 0.00 C ATOM 654 O ALA A 44 0.546 -5.922 -6.890 1.00 0.00 O ATOM 655 CB ALA A 44 0.148 -3.730 -9.451 1.00 0.00 C ATOM 0 H ALA A 44 1.868 -2.189 -8.600 1.00 0.00 H new ATOM 0 HA ALA A 44 -0.173 -3.560 -7.342 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -0.637 -4.472 -9.595 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -0.251 -2.736 -9.653 1.00 0.00 H new ATOM 0 HB3 ALA A 44 0.972 -3.936 -10.135 1.00 0.00 H new ATOM 661 N PRO A 45 2.257 -5.600 -8.319 1.00 0.00 N ATOM 662 CA PRO A 45 2.854 -6.922 -8.110 1.00 0.00 C ATOM 663 C PRO A 45 3.469 -7.068 -6.722 1.00 0.00 C ATOM 664 O PRO A 45 3.227 -8.055 -6.026 1.00 0.00 O ATOM 665 CB PRO A 45 3.939 -6.996 -9.186 1.00 0.00 C ATOM 666 CG PRO A 45 4.291 -5.576 -9.468 1.00 0.00 C ATOM 667 CD PRO A 45 3.021 -4.791 -9.284 1.00 0.00 C ATOM 0 HA PRO A 45 2.113 -7.719 -8.177 1.00 0.00 H new ATOM 0 HB2 PRO A 45 4.806 -7.557 -8.836 1.00 0.00 H new ATOM 0 HB3 PRO A 45 3.574 -7.499 -10.082 1.00 0.00 H new ATOM 0 HG2 PRO A 45 5.069 -5.225 -8.790 1.00 0.00 H new ATOM 0 HG3 PRO A 45 4.676 -5.463 -10.481 1.00 0.00 H new ATOM 0 HD2 PRO A 45 3.219 -3.790 -8.901 1.00 0.00 H new ATOM 0 HD3 PRO A 45 2.482 -4.672 -10.224 1.00 0.00 H new ATOM 675 N ILE A 46 4.264 -6.080 -6.326 1.00 0.00 N ATOM 676 CA ILE A 46 4.912 -6.099 -5.020 1.00 0.00 C ATOM 677 C ILE A 46 3.885 -6.203 -3.898 1.00 0.00 C ATOM 678 O ILE A 46 4.093 -6.916 -2.916 1.00 0.00 O ATOM 679 CB ILE A 46 5.771 -4.840 -4.800 1.00 0.00 C ATOM 680 CG1 ILE A 46 6.807 -4.700 -5.917 1.00 0.00 C ATOM 681 CG2 ILE A 46 6.454 -4.895 -3.441 1.00 0.00 C ATOM 682 CD1 ILE A 46 7.153 -3.265 -6.245 1.00 0.00 C ATOM 0 H ILE A 46 4.475 -5.257 -6.890 1.00 0.00 H new ATOM 0 HA ILE A 46 5.557 -6.977 -5.001 1.00 0.00 H new ATOM 0 HB ILE A 46 5.120 -3.966 -4.823 1.00 0.00 H new ATOM 0 HG12 ILE A 46 7.716 -5.227 -5.626 1.00 0.00 H new ATOM 0 HG13 ILE A 46 6.429 -5.188 -6.815 1.00 0.00 H new ATOM 0 HG21 ILE A 46 7.057 -3.998 -3.300 1.00 0.00 H new ATOM 0 HG22 ILE A 46 5.699 -4.951 -2.657 1.00 0.00 H new ATOM 0 HG23 ILE A 46 7.095 -5.775 -3.391 1.00 0.00 H new ATOM 0 HD11 ILE A 46 7.893 -3.243 -7.045 1.00 0.00 H new ATOM 0 HD12 ILE A 46 6.254 -2.739 -6.567 1.00 0.00 H new ATOM 0 HD13 ILE A 46 7.561 -2.778 -5.360 1.00 0.00 H new ATOM 694 N TRP A 47 2.776 -5.488 -4.051 1.00 0.00 N ATOM 695 CA TRP A 47 1.714 -5.501 -3.051 1.00 0.00 C ATOM 696 C TRP A 47 0.981 -6.838 -3.053 1.00 0.00 C ATOM 697 O TRP A 47 0.535 -7.313 -2.008 1.00 0.00 O ATOM 698 CB TRP A 47 0.726 -4.363 -3.311 1.00 0.00 C ATOM 699 CG TRP A 47 -0.174 -4.080 -2.147 1.00 0.00 C ATOM 700 CD1 TRP A 47 -1.528 -4.249 -2.098 1.00 0.00 C ATOM 701 CD2 TRP A 47 0.216 -3.576 -0.865 1.00 0.00 C ATOM 702 NE1 TRP A 47 -2.004 -3.881 -0.863 1.00 0.00 N ATOM 703 CE2 TRP A 47 -0.954 -3.466 -0.087 1.00 0.00 C ATOM 704 CE3 TRP A 47 1.439 -3.210 -0.297 1.00 0.00 C ATOM 705 CZ2 TRP A 47 -0.934 -3.003 1.226 1.00 0.00 C ATOM 706 CZ3 TRP A 47 1.457 -2.751 1.007 1.00 0.00 C ATOM 707 CH2 TRP A 47 0.278 -2.651 1.756 1.00 0.00 C ATOM 0 H TRP A 47 2.589 -4.892 -4.857 1.00 0.00 H new ATOM 0 HA TRP A 47 2.170 -5.359 -2.071 1.00 0.00 H new ATOM 0 HB2 TRP A 47 1.282 -3.459 -3.560 1.00 0.00 H new ATOM 0 HB3 TRP A 47 0.117 -4.612 -4.180 1.00 0.00 H new ATOM 0 HD1 TRP A 47 -2.136 -4.618 -2.911 1.00 0.00 H new ATOM 0 HE1 TRP A 47 -2.981 -3.912 -0.571 1.00 0.00 H new ATOM 0 HE3 TRP A 47 2.354 -3.284 -0.866 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -1.842 -2.924 1.805 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 2.397 -2.465 1.456 1.00 0.00 H new ATOM 0 HH2 TRP A 47 0.326 -2.289 2.772 1.00 0.00 H new ATOM 718 N ASP A 48 0.859 -7.439 -4.231 1.00 0.00 N ATOM 719 CA ASP A 48 0.181 -8.723 -4.368 1.00 0.00 C ATOM 720 C ASP A 48 1.044 -9.855 -3.822 1.00 0.00 C ATOM 721 O ASP A 48 0.531 -10.867 -3.344 1.00 0.00 O ATOM 722 CB ASP A 48 -0.163 -8.988 -5.835 1.00 0.00 C ATOM 723 CG ASP A 48 -0.254 -10.468 -6.149 1.00 0.00 C ATOM 724 OD1 ASP A 48 -1.084 -11.158 -5.522 1.00 0.00 O ATOM 725 OD2 ASP A 48 0.506 -10.937 -7.023 1.00 0.00 O ATOM 0 H ASP A 48 1.221 -7.058 -5.105 1.00 0.00 H new ATOM 0 HA ASP A 48 -0.741 -8.683 -3.788 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -1.113 -8.509 -6.075 1.00 0.00 H new ATOM 0 HB3 ASP A 48 0.594 -8.530 -6.471 1.00 0.00 H new ATOM 730 N LYS A 49 2.359 -9.679 -3.898 1.00 0.00 N ATOM 731 CA LYS A 49 3.296 -10.685 -3.412 1.00 0.00 C ATOM 732 C LYS A 49 3.392 -10.648 -1.890 1.00 0.00 C ATOM 733 O LYS A 49 3.741 -11.645 -1.255 1.00 0.00 O ATOM 734 CB LYS A 49 4.680 -10.462 -4.026 1.00 0.00 C ATOM 735 CG LYS A 49 4.770 -10.873 -5.485 1.00 0.00 C ATOM 736 CD LYS A 49 5.801 -10.045 -6.235 1.00 0.00 C ATOM 737 CE LYS A 49 7.213 -10.551 -5.981 1.00 0.00 C ATOM 738 NZ LYS A 49 8.222 -9.462 -6.103 1.00 0.00 N ATOM 0 H LYS A 49 2.800 -8.848 -4.292 1.00 0.00 H new ATOM 0 HA LYS A 49 2.926 -11.665 -3.712 1.00 0.00 H new ATOM 0 HB2 LYS A 49 4.942 -9.408 -3.937 1.00 0.00 H new ATOM 0 HB3 LYS A 49 5.418 -11.023 -3.453 1.00 0.00 H new ATOM 0 HG2 LYS A 49 5.032 -11.929 -5.551 1.00 0.00 H new ATOM 0 HG3 LYS A 49 3.795 -10.757 -5.958 1.00 0.00 H new ATOM 0 HD2 LYS A 49 5.588 -10.078 -7.304 1.00 0.00 H new ATOM 0 HD3 LYS A 49 5.726 -9.002 -5.927 1.00 0.00 H new ATOM 0 HE2 LYS A 49 7.269 -10.988 -4.984 1.00 0.00 H new ATOM 0 HE3 LYS A 49 7.448 -11.345 -6.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 9.171 -9.847 -5.923 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 8.187 -9.062 -7.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 8.013 -8.716 -5.409 1.00 0.00 H new ATOM 752 N LEU A 50 3.080 -9.495 -1.309 1.00 0.00 N ATOM 753 CA LEU A 50 3.129 -9.329 0.139 1.00 0.00 C ATOM 754 C LEU A 50 1.805 -9.735 0.779 1.00 0.00 C ATOM 755 O LEU A 50 1.779 -10.280 1.882 1.00 0.00 O ATOM 756 CB LEU A 50 3.458 -7.878 0.496 1.00 0.00 C ATOM 757 CG LEU A 50 2.944 -7.387 1.849 1.00 0.00 C ATOM 758 CD1 LEU A 50 3.706 -8.053 2.984 1.00 0.00 C ATOM 759 CD2 LEU A 50 3.058 -5.872 1.945 1.00 0.00 C ATOM 0 H LEU A 50 2.790 -8.661 -1.819 1.00 0.00 H new ATOM 0 HA LEU A 50 3.913 -9.978 0.528 1.00 0.00 H new ATOM 0 HB2 LEU A 50 4.541 -7.756 0.475 1.00 0.00 H new ATOM 0 HB3 LEU A 50 3.050 -7.232 -0.281 1.00 0.00 H new ATOM 0 HG LEU A 50 1.892 -7.659 1.936 1.00 0.00 H new ATOM 0 HD11 LEU A 50 3.326 -7.691 3.939 1.00 0.00 H new ATOM 0 HD12 LEU A 50 3.573 -9.133 2.927 1.00 0.00 H new ATOM 0 HD13 LEU A 50 4.766 -7.813 2.901 1.00 0.00 H new ATOM 0 HD21 LEU A 50 2.688 -5.540 2.915 1.00 0.00 H new ATOM 0 HD22 LEU A 50 4.102 -5.578 1.835 1.00 0.00 H new ATOM 0 HD23 LEU A 50 2.466 -5.412 1.154 1.00 0.00 H new ATOM 771 N GLY A 51 0.708 -9.466 0.078 1.00 0.00 N ATOM 772 CA GLY A 51 -0.604 -9.812 0.593 1.00 0.00 C ATOM 773 C GLY A 51 -0.785 -11.307 0.763 1.00 0.00 C ATOM 774 O GLY A 51 -1.382 -11.759 1.740 1.00 0.00 O ATOM 0 H GLY A 51 0.704 -9.015 -0.837 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -0.755 -9.319 1.554 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -1.369 -9.431 -0.084 1.00 0.00 H new ATOM 778 N GLU A 52 -0.270 -12.076 -0.191 1.00 0.00 N ATOM 779 CA GLU A 52 -0.380 -13.529 -0.142 1.00 0.00 C ATOM 780 C GLU A 52 0.422 -14.098 1.024 1.00 0.00 C ATOM 781 O GLU A 52 0.131 -15.186 1.523 1.00 0.00 O ATOM 782 CB GLU A 52 0.106 -14.144 -1.457 1.00 0.00 C ATOM 783 CG GLU A 52 1.614 -14.310 -1.530 1.00 0.00 C ATOM 784 CD GLU A 52 2.069 -14.943 -2.831 1.00 0.00 C ATOM 785 OE1 GLU A 52 1.362 -14.780 -3.848 1.00 0.00 O ATOM 786 OE2 GLU A 52 3.130 -15.602 -2.832 1.00 0.00 O ATOM 0 H GLU A 52 0.227 -11.717 -1.006 1.00 0.00 H new ATOM 0 HA GLU A 52 -1.430 -13.783 0.004 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -0.365 -15.118 -1.589 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -0.223 -13.516 -2.285 1.00 0.00 H new ATOM 0 HG2 GLU A 52 2.089 -13.335 -1.419 1.00 0.00 H new ATOM 0 HG3 GLU A 52 1.949 -14.925 -0.695 1.00 0.00 H new ATOM 793 N THR A 53 1.436 -13.353 1.456 1.00 0.00 N ATOM 794 CA THR A 53 2.282 -13.782 2.563 1.00 0.00 C ATOM 795 C THR A 53 1.535 -13.703 3.889 1.00 0.00 C ATOM 796 O THR A 53 1.757 -14.516 4.787 1.00 0.00 O ATOM 797 CB THR A 53 3.561 -12.928 2.655 1.00 0.00 C ATOM 798 OG1 THR A 53 4.301 -13.021 1.433 1.00 0.00 O ATOM 799 CG2 THR A 53 4.432 -13.382 3.817 1.00 0.00 C ATOM 0 H THR A 53 1.691 -12.450 1.056 1.00 0.00 H new ATOM 0 HA THR A 53 2.558 -14.818 2.367 1.00 0.00 H new ATOM 0 HB THR A 53 3.268 -11.892 2.824 1.00 0.00 H new ATOM 0 HG1 THR A 53 3.873 -12.466 0.748 1.00 0.00 H new ATOM 0 HG21 THR A 53 5.329 -12.765 3.862 1.00 0.00 H new ATOM 0 HG22 THR A 53 3.876 -13.283 4.749 1.00 0.00 H new ATOM 0 HG23 THR A 53 4.716 -14.425 3.673 1.00 0.00 H new ATOM 807 N TYR A 54 0.649 -12.720 4.006 1.00 0.00 N ATOM 808 CA TYR A 54 -0.130 -12.534 5.224 1.00 0.00 C ATOM 809 C TYR A 54 -1.625 -12.638 4.936 1.00 0.00 C ATOM 810 O TYR A 54 -2.442 -11.986 5.587 1.00 0.00 O ATOM 811 CB TYR A 54 0.186 -11.177 5.855 1.00 0.00 C ATOM 812 CG TYR A 54 1.659 -10.960 6.117 1.00 0.00 C ATOM 813 CD1 TYR A 54 2.520 -10.588 5.092 1.00 0.00 C ATOM 814 CD2 TYR A 54 2.190 -11.125 7.391 1.00 0.00 C ATOM 815 CE1 TYR A 54 3.867 -10.389 5.328 1.00 0.00 C ATOM 816 CE2 TYR A 54 3.535 -10.927 7.636 1.00 0.00 C ATOM 817 CZ TYR A 54 4.369 -10.560 6.601 1.00 0.00 C ATOM 818 OH TYR A 54 5.710 -10.361 6.840 1.00 0.00 O ATOM 0 H TYR A 54 0.453 -12.040 3.272 1.00 0.00 H new ATOM 0 HA TYR A 54 0.143 -13.324 5.923 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -0.178 -10.387 5.198 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -0.359 -11.087 6.795 1.00 0.00 H new ATOM 0 HD1 TYR A 54 2.130 -10.452 4.094 1.00 0.00 H new ATOM 0 HD2 TYR A 54 1.540 -11.413 8.204 1.00 0.00 H new ATOM 0 HE1 TYR A 54 4.523 -10.101 4.520 1.00 0.00 H new ATOM 0 HE2 TYR A 54 3.931 -11.059 8.632 1.00 0.00 H new ATOM 0 HH TYR A 54 5.901 -10.521 7.788 1.00 0.00 H new ATOM 828 N LYS A 55 -1.976 -13.464 3.956 1.00 0.00 N ATOM 829 CA LYS A 55 -3.371 -13.657 3.581 1.00 0.00 C ATOM 830 C LYS A 55 -4.085 -14.556 4.585 1.00 0.00 C ATOM 831 O LYS A 55 -5.285 -14.410 4.819 1.00 0.00 O ATOM 832 CB LYS A 55 -3.464 -14.266 2.180 1.00 0.00 C ATOM 833 CG LYS A 55 -3.183 -15.758 2.145 1.00 0.00 C ATOM 834 CD LYS A 55 -2.941 -16.246 0.726 1.00 0.00 C ATOM 835 CE LYS A 55 -1.997 -17.439 0.701 1.00 0.00 C ATOM 836 NZ LYS A 55 -2.026 -18.141 -0.612 1.00 0.00 N ATOM 0 H LYS A 55 -1.313 -14.011 3.407 1.00 0.00 H new ATOM 0 HA LYS A 55 -3.859 -12.682 3.581 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -4.461 -14.083 1.779 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -2.758 -13.756 1.524 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -2.311 -15.980 2.761 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -4.025 -16.298 2.578 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -3.891 -16.522 0.268 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -2.522 -15.437 0.128 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -0.982 -17.103 0.911 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -2.272 -18.137 1.492 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -1.370 -18.948 -0.589 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -2.989 -18.484 -0.801 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -1.739 -17.483 -1.364 1.00 0.00 H new ATOM 850 N ASP A 56 -3.340 -15.483 5.177 1.00 0.00 N ATOM 851 CA ASP A 56 -3.902 -16.404 6.158 1.00 0.00 C ATOM 852 C ASP A 56 -3.284 -16.176 7.534 1.00 0.00 C ATOM 853 O ASP A 56 -3.247 -17.081 8.368 1.00 0.00 O ATOM 854 CB ASP A 56 -3.677 -17.852 5.718 1.00 0.00 C ATOM 855 CG ASP A 56 -4.746 -18.789 6.245 1.00 0.00 C ATOM 856 OD1 ASP A 56 -5.942 -18.454 6.122 1.00 0.00 O ATOM 857 OD2 ASP A 56 -4.385 -19.859 6.780 1.00 0.00 O ATOM 0 H ASP A 56 -2.345 -15.617 4.995 1.00 0.00 H new ATOM 0 HA ASP A 56 -4.973 -16.215 6.225 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -3.661 -17.900 4.629 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -2.700 -18.187 6.066 1.00 0.00 H new ATOM 862 N HIS A 57 -2.798 -14.960 7.764 1.00 0.00 N ATOM 863 CA HIS A 57 -2.180 -14.612 9.039 1.00 0.00 C ATOM 864 C HIS A 57 -3.215 -14.607 10.160 1.00 0.00 C ATOM 865 O HIS A 57 -4.378 -14.945 9.945 1.00 0.00 O ATOM 866 CB HIS A 57 -1.505 -13.244 8.946 1.00 0.00 C ATOM 867 CG HIS A 57 -0.217 -13.158 9.707 1.00 0.00 C ATOM 868 ND1 HIS A 57 -0.143 -12.728 11.015 1.00 0.00 N ATOM 869 CD2 HIS A 57 1.051 -13.453 9.337 1.00 0.00 C ATOM 870 CE1 HIS A 57 1.115 -12.760 11.416 1.00 0.00 C ATOM 871 NE2 HIS A 57 1.860 -13.196 10.417 1.00 0.00 N ATOM 0 H HIS A 57 -2.820 -14.200 7.085 1.00 0.00 H new ATOM 0 HA HIS A 57 -1.426 -15.365 9.267 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -1.314 -13.013 7.898 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -2.190 -12.484 9.321 1.00 0.00 H new ATOM 0 HD2 HIS A 57 1.368 -13.822 8.373 1.00 0.00 H new ATOM 0 HE1 HIS A 57 1.473 -12.477 12.395 1.00 0.00 H new ATOM 0 HE2 HIS A 57 2.872 -13.322 10.443 1.00 0.00 H new ATOM 880 N GLU A 58 -2.782 -14.222 11.357 1.00 0.00 N ATOM 881 CA GLU A 58 -3.671 -14.175 12.512 1.00 0.00 C ATOM 882 C GLU A 58 -4.124 -12.745 12.791 1.00 0.00 C ATOM 883 O GLU A 58 -5.314 -12.482 12.960 1.00 0.00 O ATOM 884 CB GLU A 58 -2.972 -14.751 13.745 1.00 0.00 C ATOM 885 CG GLU A 58 -1.951 -13.809 14.361 1.00 0.00 C ATOM 886 CD GLU A 58 -1.139 -14.468 15.460 1.00 0.00 C ATOM 887 OE1 GLU A 58 -0.934 -15.697 15.391 1.00 0.00 O ATOM 888 OE2 GLU A 58 -0.708 -13.752 16.388 1.00 0.00 O ATOM 0 H GLU A 58 -1.822 -13.938 11.552 1.00 0.00 H new ATOM 0 HA GLU A 58 -4.550 -14.779 12.287 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -3.723 -15.000 14.495 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -2.476 -15.682 13.469 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -1.278 -13.449 13.583 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -2.464 -12.937 14.766 1.00 0.00 H new ATOM 895 N ASN A 59 -3.165 -11.826 12.840 1.00 0.00 N ATOM 896 CA ASN A 59 -3.465 -10.422 13.101 1.00 0.00 C ATOM 897 C ASN A 59 -3.086 -9.554 11.905 1.00 0.00 C ATOM 898 O ASN A 59 -3.675 -8.496 11.682 1.00 0.00 O ATOM 899 CB ASN A 59 -2.720 -9.944 14.349 1.00 0.00 C ATOM 900 CG ASN A 59 -1.220 -9.874 14.136 1.00 0.00 C ATOM 901 OD1 ASN A 59 -0.514 -10.915 14.561 1.00 0.00 O flip ATOM 902 ND2 ASN A 59 -0.704 -8.896 13.596 1.00 0.00 N flip ATOM 0 H ASN A 59 -2.175 -12.028 12.703 1.00 0.00 H new ATOM 0 HA ASN A 59 -4.538 -10.330 13.269 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -3.090 -8.959 14.635 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -2.935 -10.618 15.178 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -1.287 -8.119 13.285 1.00 0.00 H new ATOM 0 HD22 ASN A 59 0.306 -8.863 13.459 1.00 0.00 H new ATOM 909 N ILE A 60 -2.101 -10.009 11.138 1.00 0.00 N ATOM 910 CA ILE A 60 -1.646 -9.275 9.964 1.00 0.00 C ATOM 911 C ILE A 60 -2.548 -9.543 8.764 1.00 0.00 C ATOM 912 O ILE A 60 -2.604 -10.662 8.254 1.00 0.00 O ATOM 913 CB ILE A 60 -0.197 -9.646 9.596 1.00 0.00 C ATOM 914 CG1 ILE A 60 0.720 -9.476 10.809 1.00 0.00 C ATOM 915 CG2 ILE A 60 0.289 -8.792 8.434 1.00 0.00 C ATOM 916 CD1 ILE A 60 2.174 -9.773 10.515 1.00 0.00 C ATOM 0 H ILE A 60 -1.603 -10.883 11.309 1.00 0.00 H new ATOM 0 HA ILE A 60 -1.689 -8.216 10.218 1.00 0.00 H new ATOM 0 HB ILE A 60 -0.172 -10.692 9.289 1.00 0.00 H new ATOM 0 HG12 ILE A 60 0.634 -8.454 11.179 1.00 0.00 H new ATOM 0 HG13 ILE A 60 0.378 -10.134 11.608 1.00 0.00 H new ATOM 0 HG21 ILE A 60 1.314 -9.066 8.185 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -0.351 -8.958 7.568 1.00 0.00 H new ATOM 0 HG23 ILE A 60 0.252 -7.740 8.716 1.00 0.00 H new ATOM 0 HD11 ILE A 60 2.764 -9.632 11.420 1.00 0.00 H new ATOM 0 HD12 ILE A 60 2.273 -10.804 10.174 1.00 0.00 H new ATOM 0 HD13 ILE A 60 2.533 -9.098 9.738 1.00 0.00 H new ATOM 928 N VAL A 61 -3.251 -8.508 8.317 1.00 0.00 N ATOM 929 CA VAL A 61 -4.149 -8.630 7.174 1.00 0.00 C ATOM 930 C VAL A 61 -3.866 -7.552 6.135 1.00 0.00 C ATOM 931 O VAL A 61 -4.145 -6.373 6.357 1.00 0.00 O ATOM 932 CB VAL A 61 -5.624 -8.536 7.607 1.00 0.00 C ATOM 933 CG1 VAL A 61 -6.488 -8.045 6.456 1.00 0.00 C ATOM 934 CG2 VAL A 61 -6.116 -9.882 8.117 1.00 0.00 C ATOM 0 H VAL A 61 -3.216 -7.575 8.729 1.00 0.00 H new ATOM 0 HA VAL A 61 -3.969 -9.611 6.733 1.00 0.00 H new ATOM 0 HB VAL A 61 -5.701 -7.815 8.421 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -7.527 -7.985 6.781 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -6.149 -7.058 6.141 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -6.409 -8.740 5.620 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -7.160 -9.797 8.419 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -6.026 -10.626 7.325 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -5.515 -10.189 8.973 1.00 0.00 H new ATOM 944 N ILE A 62 -3.310 -7.963 5.000 1.00 0.00 N ATOM 945 CA ILE A 62 -2.991 -7.031 3.925 1.00 0.00 C ATOM 946 C ILE A 62 -4.231 -6.692 3.105 1.00 0.00 C ATOM 947 O ILE A 62 -5.057 -7.559 2.823 1.00 0.00 O ATOM 948 CB ILE A 62 -1.910 -7.602 2.989 1.00 0.00 C ATOM 949 CG1 ILE A 62 -0.628 -7.893 3.772 1.00 0.00 C ATOM 950 CG2 ILE A 62 -1.632 -6.633 1.849 1.00 0.00 C ATOM 951 CD1 ILE A 62 0.087 -6.646 4.245 1.00 0.00 C ATOM 0 H ILE A 62 -3.071 -8.935 4.801 1.00 0.00 H new ATOM 0 HA ILE A 62 -2.611 -6.124 4.395 1.00 0.00 H new ATOM 0 HB ILE A 62 -2.274 -8.538 2.565 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -0.872 -8.512 4.635 1.00 0.00 H new ATOM 0 HG13 ILE A 62 0.048 -8.474 3.144 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -0.866 -7.050 1.196 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -2.546 -6.471 1.278 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -1.284 -5.683 2.255 1.00 0.00 H new ATOM 0 HD11 ILE A 62 0.986 -6.928 4.792 1.00 0.00 H new ATOM 0 HD12 ILE A 62 0.362 -6.036 3.385 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -0.572 -6.075 4.899 1.00 0.00 H new ATOM 963 N ALA A 63 -4.353 -5.425 2.724 1.00 0.00 N ATOM 964 CA ALA A 63 -5.490 -4.972 1.932 1.00 0.00 C ATOM 965 C ALA A 63 -5.108 -3.787 1.050 1.00 0.00 C ATOM 966 O ALA A 63 -4.185 -3.037 1.367 1.00 0.00 O ATOM 967 CB ALA A 63 -6.652 -4.602 2.841 1.00 0.00 C ATOM 0 H ALA A 63 -3.679 -4.694 2.951 1.00 0.00 H new ATOM 0 HA ALA A 63 -5.798 -5.791 1.282 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -7.494 -4.265 2.236 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -6.949 -5.473 3.424 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -6.346 -3.802 3.515 1.00 0.00 H new ATOM 973 N LYS A 64 -5.823 -3.626 -0.058 1.00 0.00 N ATOM 974 CA LYS A 64 -5.560 -2.532 -0.986 1.00 0.00 C ATOM 975 C LYS A 64 -6.836 -1.752 -1.283 1.00 0.00 C ATOM 976 O LYS A 64 -7.924 -2.323 -1.342 1.00 0.00 O ATOM 977 CB LYS A 64 -4.966 -3.074 -2.288 1.00 0.00 C ATOM 978 CG LYS A 64 -5.943 -3.903 -3.104 1.00 0.00 C ATOM 979 CD LYS A 64 -5.355 -4.294 -4.449 1.00 0.00 C ATOM 980 CE LYS A 64 -6.374 -5.020 -5.313 1.00 0.00 C ATOM 981 NZ LYS A 64 -5.741 -5.659 -6.500 1.00 0.00 N ATOM 0 H LYS A 64 -6.589 -4.239 -0.336 1.00 0.00 H new ATOM 0 HA LYS A 64 -4.843 -1.856 -0.519 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -4.617 -2.238 -2.894 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -4.093 -3.683 -2.053 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -6.212 -4.801 -2.548 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -6.862 -3.337 -3.258 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -5.006 -3.401 -4.968 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -4.486 -4.933 -4.295 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -6.879 -5.781 -4.717 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -7.137 -4.316 -5.644 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -6.469 -6.143 -7.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -5.281 -4.931 -7.082 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -5.031 -6.350 -6.185 1.00 0.00 H new ATOM 995 N MET A 65 -6.694 -0.443 -1.469 1.00 0.00 N ATOM 996 CA MET A 65 -7.836 0.415 -1.763 1.00 0.00 C ATOM 997 C MET A 65 -7.468 1.476 -2.794 1.00 0.00 C ATOM 998 O MET A 65 -6.363 2.020 -2.772 1.00 0.00 O ATOM 999 CB MET A 65 -8.341 1.084 -0.483 1.00 0.00 C ATOM 1000 CG MET A 65 -9.729 1.688 -0.619 1.00 0.00 C ATOM 1001 SD MET A 65 -10.399 2.251 0.957 1.00 0.00 S ATOM 1002 CE MET A 65 -10.778 3.959 0.572 1.00 0.00 C ATOM 0 H MET A 65 -5.800 0.046 -1.421 1.00 0.00 H new ATOM 0 HA MET A 65 -8.629 -0.208 -2.177 1.00 0.00 H new ATOM 0 HB2 MET A 65 -8.351 0.349 0.322 1.00 0.00 H new ATOM 0 HB3 MET A 65 -7.640 1.866 -0.191 1.00 0.00 H new ATOM 0 HG2 MET A 65 -9.689 2.528 -1.313 1.00 0.00 H new ATOM 0 HG3 MET A 65 -10.402 0.948 -1.052 1.00 0.00 H new ATOM 0 HE1 MET A 65 -10.754 4.552 1.486 1.00 0.00 H new ATOM 0 HE2 MET A 65 -10.040 4.346 -0.131 1.00 0.00 H new ATOM 0 HE3 MET A 65 -11.771 4.020 0.126 1.00 0.00 H new ATOM 1012 N ASP A 66 -8.398 1.766 -3.697 1.00 0.00 N ATOM 1013 CA ASP A 66 -8.172 2.763 -4.736 1.00 0.00 C ATOM 1014 C ASP A 66 -8.598 4.149 -4.262 1.00 0.00 C ATOM 1015 O ASP A 66 -9.776 4.499 -4.317 1.00 0.00 O ATOM 1016 CB ASP A 66 -8.935 2.389 -6.008 1.00 0.00 C ATOM 1017 CG ASP A 66 -9.300 0.918 -6.051 1.00 0.00 C ATOM 1018 OD1 ASP A 66 -8.525 0.097 -5.515 1.00 0.00 O ATOM 1019 OD2 ASP A 66 -10.361 0.587 -6.621 1.00 0.00 O ATOM 0 H ASP A 66 -9.317 1.324 -3.730 1.00 0.00 H new ATOM 0 HA ASP A 66 -7.105 2.786 -4.956 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -9.843 2.988 -6.073 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -8.327 2.636 -6.879 1.00 0.00 H new ATOM 1024 N SER A 67 -7.631 4.933 -3.795 1.00 0.00 N ATOM 1025 CA SER A 67 -7.907 6.279 -3.307 1.00 0.00 C ATOM 1026 C SER A 67 -8.463 7.158 -4.422 1.00 0.00 C ATOM 1027 O SER A 67 -9.042 8.215 -4.166 1.00 0.00 O ATOM 1028 CB SER A 67 -6.634 6.906 -2.734 1.00 0.00 C ATOM 1029 OG SER A 67 -6.943 7.856 -1.727 1.00 0.00 O ATOM 0 H SER A 67 -6.650 4.659 -3.744 1.00 0.00 H new ATOM 0 HA SER A 67 -8.656 6.207 -2.518 1.00 0.00 H new ATOM 0 HB2 SER A 67 -5.995 6.126 -2.319 1.00 0.00 H new ATOM 0 HB3 SER A 67 -6.071 7.388 -3.533 1.00 0.00 H new ATOM 0 HG SER A 67 -6.670 7.507 -0.853 1.00 0.00 H new ATOM 1035 N THR A 68 -8.285 6.714 -5.662 1.00 0.00 N ATOM 1036 CA THR A 68 -8.767 7.459 -6.818 1.00 0.00 C ATOM 1037 C THR A 68 -10.188 7.047 -7.184 1.00 0.00 C ATOM 1038 O THR A 68 -10.881 7.754 -7.915 1.00 0.00 O ATOM 1039 CB THR A 68 -7.854 7.253 -8.041 1.00 0.00 C ATOM 1040 OG1 THR A 68 -8.173 6.017 -8.688 1.00 0.00 O ATOM 1041 CG2 THR A 68 -6.389 7.253 -7.628 1.00 0.00 C ATOM 0 H THR A 68 -7.810 5.841 -5.892 1.00 0.00 H new ATOM 0 HA THR A 68 -8.757 8.513 -6.540 1.00 0.00 H new ATOM 0 HB THR A 68 -8.020 8.078 -8.734 1.00 0.00 H new ATOM 0 HG1 THR A 68 -8.600 6.200 -9.551 1.00 0.00 H new ATOM 0 HG21 THR A 68 -5.763 7.106 -8.508 1.00 0.00 H new ATOM 0 HG22 THR A 68 -6.142 8.207 -7.162 1.00 0.00 H new ATOM 0 HG23 THR A 68 -6.211 6.446 -6.917 1.00 0.00 H new ATOM 1049 N ALA A 69 -10.617 5.898 -6.671 1.00 0.00 N ATOM 1050 CA ALA A 69 -11.957 5.393 -6.943 1.00 0.00 C ATOM 1051 C ALA A 69 -12.813 5.402 -5.681 1.00 0.00 C ATOM 1052 O ALA A 69 -14.035 5.283 -5.748 1.00 0.00 O ATOM 1053 CB ALA A 69 -11.884 3.988 -7.523 1.00 0.00 C ATOM 0 H ALA A 69 -10.056 5.300 -6.065 1.00 0.00 H new ATOM 0 HA ALA A 69 -12.426 6.052 -7.674 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -12.892 3.623 -7.721 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -11.316 4.007 -8.453 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -11.392 3.325 -6.811 1.00 0.00 H new ATOM 1059 N ASN A 70 -12.162 5.544 -4.531 1.00 0.00 N ATOM 1060 CA ASN A 70 -12.865 5.568 -3.253 1.00 0.00 C ATOM 1061 C ASN A 70 -12.321 6.674 -2.353 1.00 0.00 C ATOM 1062 O ASN A 70 -11.109 6.821 -2.198 1.00 0.00 O ATOM 1063 CB ASN A 70 -12.735 4.215 -2.551 1.00 0.00 C ATOM 1064 CG ASN A 70 -13.188 3.063 -3.428 1.00 0.00 C ATOM 1065 OD1 ASN A 70 -14.384 2.815 -3.577 1.00 0.00 O ATOM 1066 ND2 ASN A 70 -12.230 2.354 -4.013 1.00 0.00 N ATOM 0 H ASN A 70 -11.150 5.644 -4.458 1.00 0.00 H new ATOM 0 HA ASN A 70 -13.918 5.769 -3.450 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -11.697 4.059 -2.258 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -13.326 4.225 -1.635 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -12.473 1.567 -4.615 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -11.251 2.596 -3.861 1.00 0.00 H new ATOM 1073 N GLU A 71 -13.226 7.449 -1.764 1.00 0.00 N ATOM 1074 CA GLU A 71 -12.836 8.541 -0.880 1.00 0.00 C ATOM 1075 C GLU A 71 -13.418 8.345 0.517 1.00 0.00 C ATOM 1076 O GLU A 71 -14.576 7.956 0.671 1.00 0.00 O ATOM 1077 CB GLU A 71 -13.301 9.881 -1.454 1.00 0.00 C ATOM 1078 CG GLU A 71 -12.418 11.052 -1.056 1.00 0.00 C ATOM 1079 CD GLU A 71 -12.954 12.382 -1.552 1.00 0.00 C ATOM 1080 OE1 GLU A 71 -14.188 12.570 -1.529 1.00 0.00 O ATOM 1081 OE2 GLU A 71 -12.138 13.233 -1.963 1.00 0.00 O ATOM 0 H GLU A 71 -14.233 7.341 -1.883 1.00 0.00 H new ATOM 0 HA GLU A 71 -11.749 8.543 -0.805 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -13.329 9.811 -2.541 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -14.320 10.076 -1.121 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -12.329 11.083 0.030 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -11.415 10.898 -1.454 1.00 0.00 H new ATOM 1088 N VAL A 72 -12.606 8.617 1.534 1.00 0.00 N ATOM 1089 CA VAL A 72 -13.039 8.472 2.918 1.00 0.00 C ATOM 1090 C VAL A 72 -12.410 9.540 3.806 1.00 0.00 C ATOM 1091 O VAL A 72 -11.279 9.965 3.575 1.00 0.00 O ATOM 1092 CB VAL A 72 -12.680 7.081 3.475 1.00 0.00 C ATOM 1093 CG1 VAL A 72 -13.525 6.005 2.810 1.00 0.00 C ATOM 1094 CG2 VAL A 72 -11.197 6.798 3.287 1.00 0.00 C ATOM 0 H VAL A 72 -11.644 8.939 1.425 1.00 0.00 H new ATOM 0 HA VAL A 72 -14.123 8.590 2.925 1.00 0.00 H new ATOM 0 HB VAL A 72 -12.896 7.070 4.543 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -13.257 5.029 3.216 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -14.580 6.201 3.002 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -13.344 6.013 1.735 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -10.961 5.811 3.686 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -10.953 6.828 2.225 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -10.613 7.552 3.815 1.00 0.00 H new ATOM 1104 N GLU A 73 -13.152 9.969 4.822 1.00 0.00 N ATOM 1105 CA GLU A 73 -12.667 10.988 5.745 1.00 0.00 C ATOM 1106 C GLU A 73 -11.682 10.391 6.746 1.00 0.00 C ATOM 1107 O GLU A 73 -10.780 11.075 7.229 1.00 0.00 O ATOM 1108 CB GLU A 73 -13.838 11.635 6.487 1.00 0.00 C ATOM 1109 CG GLU A 73 -14.613 10.665 7.363 1.00 0.00 C ATOM 1110 CD GLU A 73 -15.744 9.982 6.618 1.00 0.00 C ATOM 1111 OE1 GLU A 73 -16.442 10.669 5.843 1.00 0.00 O ATOM 1112 OE2 GLU A 73 -15.930 8.763 6.810 1.00 0.00 O ATOM 0 H GLU A 73 -14.091 9.627 5.027 1.00 0.00 H new ATOM 0 HA GLU A 73 -12.149 11.751 5.164 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -13.460 12.448 7.106 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -14.518 12.078 5.759 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -13.931 9.909 7.753 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -15.019 11.201 8.221 1.00 0.00 H new ATOM 1119 N ALA A 74 -11.864 9.111 7.055 1.00 0.00 N ATOM 1120 CA ALA A 74 -10.992 8.422 7.997 1.00 0.00 C ATOM 1121 C ALA A 74 -9.546 8.427 7.513 1.00 0.00 C ATOM 1122 O ALA A 74 -8.617 8.240 8.298 1.00 0.00 O ATOM 1123 CB ALA A 74 -11.472 6.994 8.213 1.00 0.00 C ATOM 0 H ALA A 74 -12.608 8.531 6.666 1.00 0.00 H new ATOM 0 HA ALA A 74 -11.032 8.956 8.947 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -10.811 6.491 8.919 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -12.486 7.007 8.612 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -11.463 6.459 7.263 1.00 0.00 H new ATOM 1129 N VAL A 75 -9.363 8.643 6.214 1.00 0.00 N ATOM 1130 CA VAL A 75 -8.029 8.673 5.624 1.00 0.00 C ATOM 1131 C VAL A 75 -8.009 9.517 4.355 1.00 0.00 C ATOM 1132 O VAL A 75 -8.599 9.146 3.340 1.00 0.00 O ATOM 1133 CB VAL A 75 -7.530 7.254 5.293 1.00 0.00 C ATOM 1134 CG1 VAL A 75 -6.371 7.312 4.310 1.00 0.00 C ATOM 1135 CG2 VAL A 75 -7.125 6.522 6.564 1.00 0.00 C ATOM 0 H VAL A 75 -10.121 8.800 5.550 1.00 0.00 H new ATOM 0 HA VAL A 75 -7.365 9.120 6.364 1.00 0.00 H new ATOM 0 HB VAL A 75 -8.345 6.701 4.826 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -6.031 6.300 4.088 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -6.698 7.795 3.390 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -5.551 7.882 4.747 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -6.775 5.521 6.312 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -6.326 7.071 7.061 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -7.984 6.449 7.231 1.00 0.00 H new ATOM 1145 N LYS A 76 -7.325 10.654 4.417 1.00 0.00 N ATOM 1146 CA LYS A 76 -7.225 11.551 3.273 1.00 0.00 C ATOM 1147 C LYS A 76 -5.866 11.417 2.593 1.00 0.00 C ATOM 1148 O LYS A 76 -4.843 11.824 3.143 1.00 0.00 O ATOM 1149 CB LYS A 76 -7.445 13.000 3.713 1.00 0.00 C ATOM 1150 CG LYS A 76 -8.909 13.370 3.878 1.00 0.00 C ATOM 1151 CD LYS A 76 -9.588 13.572 2.534 1.00 0.00 C ATOM 1152 CE LYS A 76 -11.094 13.390 2.638 1.00 0.00 C ATOM 1153 NZ LYS A 76 -11.754 14.572 3.259 1.00 0.00 N ATOM 0 H LYS A 76 -6.831 10.976 5.249 1.00 0.00 H new ATOM 0 HA LYS A 76 -7.999 11.273 2.558 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -6.928 13.166 4.658 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -6.991 13.666 2.980 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -9.423 12.585 4.432 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -8.990 14.283 4.469 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -9.366 14.571 2.160 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -9.184 12.864 1.811 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -11.509 13.223 1.644 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -11.312 12.500 3.228 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -12.780 14.409 3.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -11.377 14.717 4.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -11.567 15.417 2.682 1.00 0.00 H new ATOM 1167 N VAL A 77 -5.863 10.843 1.394 1.00 0.00 N ATOM 1168 CA VAL A 77 -4.631 10.657 0.638 1.00 0.00 C ATOM 1169 C VAL A 77 -4.531 11.660 -0.506 1.00 0.00 C ATOM 1170 O VAL A 77 -5.452 11.793 -1.312 1.00 0.00 O ATOM 1171 CB VAL A 77 -4.533 9.231 0.065 1.00 0.00 C ATOM 1172 CG1 VAL A 77 -3.147 8.979 -0.509 1.00 0.00 C ATOM 1173 CG2 VAL A 77 -4.871 8.204 1.135 1.00 0.00 C ATOM 0 H VAL A 77 -6.701 10.499 0.925 1.00 0.00 H new ATOM 0 HA VAL A 77 -3.807 10.819 1.333 1.00 0.00 H new ATOM 0 HB VAL A 77 -5.257 9.132 -0.744 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -3.097 7.966 -0.909 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -2.948 9.694 -1.307 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -2.401 9.095 0.277 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -4.797 7.202 0.713 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -4.172 8.301 1.966 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -5.886 8.373 1.493 1.00 0.00 H new ATOM 1183 N HIS A 78 -3.406 12.365 -0.571 1.00 0.00 N ATOM 1184 CA HIS A 78 -3.184 13.357 -1.618 1.00 0.00 C ATOM 1185 C HIS A 78 -2.076 12.907 -2.566 1.00 0.00 C ATOM 1186 O HIS A 78 -1.978 13.389 -3.695 1.00 0.00 O ATOM 1187 CB HIS A 78 -2.827 14.709 -1.002 1.00 0.00 C ATOM 1188 CG HIS A 78 -3.640 15.049 0.209 1.00 0.00 C ATOM 1189 ND1 HIS A 78 -3.809 14.385 1.377 1.00 0.00 N flip ATOM 1190 CD2 HIS A 78 -4.401 16.195 0.308 1.00 0.00 C flip ATOM 1191 CE1 HIS A 78 -4.660 15.135 2.152 1.00 0.00 C flip ATOM 1192 NE2 HIS A 78 -5.002 16.222 1.484 1.00 0.00 N flip ATOM 0 H HIS A 78 -2.634 12.268 0.089 1.00 0.00 H new ATOM 0 HA HIS A 78 -4.107 13.460 -2.189 1.00 0.00 H new ATOM 0 HB2 HIS A 78 -1.771 14.708 -0.732 1.00 0.00 H new ATOM 0 HB3 HIS A 78 -2.964 15.488 -1.752 1.00 0.00 H new ATOM 0 HD2 HIS A 78 -4.491 16.952 -0.457 1.00 0.00 H new ATOM 0 HE1 HIS A 78 -4.995 14.878 3.146 1.00 0.00 H new ATOM 0 HE2 HIS A 78 -5.624 16.957 1.819 1.00 0.00 H new ATOM 1201 N SER A 79 -1.244 11.982 -2.100 1.00 0.00 N ATOM 1202 CA SER A 79 -0.140 11.472 -2.904 1.00 0.00 C ATOM 1203 C SER A 79 -0.249 9.960 -3.080 1.00 0.00 C ATOM 1204 O SER A 79 -1.055 9.304 -2.419 1.00 0.00 O ATOM 1205 CB SER A 79 1.199 11.825 -2.254 1.00 0.00 C ATOM 1206 OG SER A 79 2.210 12.001 -3.231 1.00 0.00 O ATOM 0 H SER A 79 -1.313 11.570 -1.169 1.00 0.00 H new ATOM 0 HA SER A 79 -0.193 11.940 -3.887 1.00 0.00 H new ATOM 0 HB2 SER A 79 1.093 12.738 -1.668 1.00 0.00 H new ATOM 0 HB3 SER A 79 1.491 11.034 -1.563 1.00 0.00 H new ATOM 0 HG SER A 79 3.055 12.228 -2.790 1.00 0.00 H new ATOM 1212 N PHE A 80 0.567 9.414 -3.975 1.00 0.00 N ATOM 1213 CA PHE A 80 0.562 7.980 -4.239 1.00 0.00 C ATOM 1214 C PHE A 80 1.846 7.553 -4.945 1.00 0.00 C ATOM 1215 O PHE A 80 2.470 8.324 -5.674 1.00 0.00 O ATOM 1216 CB PHE A 80 -0.651 7.601 -5.091 1.00 0.00 C ATOM 1217 CG PHE A 80 -1.917 8.294 -4.673 1.00 0.00 C ATOM 1218 CD1 PHE A 80 -2.696 7.783 -3.647 1.00 0.00 C ATOM 1219 CD2 PHE A 80 -2.328 9.456 -5.306 1.00 0.00 C ATOM 1220 CE1 PHE A 80 -3.861 8.418 -3.260 1.00 0.00 C ATOM 1221 CE2 PHE A 80 -3.491 10.095 -4.923 1.00 0.00 C ATOM 1222 CZ PHE A 80 -4.259 9.575 -3.900 1.00 0.00 C ATOM 0 H PHE A 80 1.240 9.943 -4.530 1.00 0.00 H new ATOM 0 HA PHE A 80 0.503 7.460 -3.283 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -0.442 7.841 -6.134 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -0.801 6.523 -5.036 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -2.389 6.878 -3.144 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -1.732 9.867 -6.108 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -4.459 8.010 -2.459 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -3.800 11.001 -5.423 1.00 0.00 H new ATOM 0 HZ PHE A 80 -5.170 10.073 -3.601 1.00 0.00 H new ATOM 1232 N PRO A 81 2.251 6.294 -4.723 1.00 0.00 N ATOM 1233 CA PRO A 81 1.517 5.367 -3.857 1.00 0.00 C ATOM 1234 C PRO A 81 1.603 5.757 -2.385 1.00 0.00 C ATOM 1235 O PRO A 81 2.625 6.269 -1.926 1.00 0.00 O ATOM 1236 CB PRO A 81 2.218 4.027 -4.096 1.00 0.00 C ATOM 1237 CG PRO A 81 3.595 4.392 -4.533 1.00 0.00 C ATOM 1238 CD PRO A 81 3.458 5.678 -5.300 1.00 0.00 C ATOM 0 HA PRO A 81 0.451 5.353 -4.086 1.00 0.00 H new ATOM 0 HB2 PRO A 81 2.238 3.423 -3.189 1.00 0.00 H new ATOM 0 HB3 PRO A 81 1.703 3.441 -4.858 1.00 0.00 H new ATOM 0 HG2 PRO A 81 4.256 4.517 -3.676 1.00 0.00 H new ATOM 0 HG3 PRO A 81 4.027 3.609 -5.157 1.00 0.00 H new ATOM 0 HD2 PRO A 81 4.333 6.315 -5.175 1.00 0.00 H new ATOM 0 HD3 PRO A 81 3.345 5.498 -6.369 1.00 0.00 H new ATOM 1246 N THR A 82 0.523 5.513 -1.649 1.00 0.00 N ATOM 1247 CA THR A 82 0.476 5.839 -0.229 1.00 0.00 C ATOM 1248 C THR A 82 0.117 4.615 0.605 1.00 0.00 C ATOM 1249 O THR A 82 -0.894 3.957 0.358 1.00 0.00 O ATOM 1250 CB THR A 82 -0.543 6.958 0.056 1.00 0.00 C ATOM 1251 OG1 THR A 82 -0.066 8.202 -0.469 1.00 0.00 O ATOM 1252 CG2 THR A 82 -0.792 7.095 1.551 1.00 0.00 C ATOM 0 H THR A 82 -0.331 5.091 -2.013 1.00 0.00 H new ATOM 0 HA THR A 82 1.472 6.185 0.049 1.00 0.00 H new ATOM 0 HB THR A 82 -1.482 6.696 -0.431 1.00 0.00 H new ATOM 0 HG1 THR A 82 -0.405 8.324 -1.380 1.00 0.00 H new ATOM 0 HG21 THR A 82 -1.515 7.891 1.728 1.00 0.00 H new ATOM 0 HG22 THR A 82 -1.183 6.156 1.942 1.00 0.00 H new ATOM 0 HG23 THR A 82 0.144 7.336 2.055 1.00 0.00 H new ATOM 1260 N LEU A 83 0.951 4.314 1.595 1.00 0.00 N ATOM 1261 CA LEU A 83 0.721 3.168 2.467 1.00 0.00 C ATOM 1262 C LEU A 83 0.430 3.620 3.895 1.00 0.00 C ATOM 1263 O LEU A 83 1.059 4.549 4.404 1.00 0.00 O ATOM 1264 CB LEU A 83 1.936 2.239 2.452 1.00 0.00 C ATOM 1265 CG LEU A 83 2.452 1.832 1.071 1.00 0.00 C ATOM 1266 CD1 LEU A 83 3.690 0.958 1.201 1.00 0.00 C ATOM 1267 CD2 LEU A 83 1.367 1.110 0.287 1.00 0.00 C ATOM 0 H LEU A 83 1.792 4.848 1.813 1.00 0.00 H new ATOM 0 HA LEU A 83 -0.148 2.626 2.093 1.00 0.00 H new ATOM 0 HB2 LEU A 83 2.748 2.726 2.992 1.00 0.00 H new ATOM 0 HB3 LEU A 83 1.683 1.334 3.005 1.00 0.00 H new ATOM 0 HG LEU A 83 2.725 2.735 0.526 1.00 0.00 H new ATOM 0 HD11 LEU A 83 4.043 0.678 0.209 1.00 0.00 H new ATOM 0 HD12 LEU A 83 4.472 1.510 1.722 1.00 0.00 H new ATOM 0 HD13 LEU A 83 3.443 0.059 1.765 1.00 0.00 H new ATOM 0 HD21 LEU A 83 1.753 0.828 -0.693 1.00 0.00 H new ATOM 0 HD22 LEU A 83 1.062 0.214 0.828 1.00 0.00 H new ATOM 0 HD23 LEU A 83 0.508 1.769 0.163 1.00 0.00 H new ATOM 1279 N LYS A 84 -0.525 2.957 4.537 1.00 0.00 N ATOM 1280 CA LYS A 84 -0.897 3.287 5.908 1.00 0.00 C ATOM 1281 C LYS A 84 -1.173 2.023 6.716 1.00 0.00 C ATOM 1282 O LYS A 84 -1.983 1.184 6.319 1.00 0.00 O ATOM 1283 CB LYS A 84 -2.131 4.191 5.919 1.00 0.00 C ATOM 1284 CG LYS A 84 -2.041 5.355 4.947 1.00 0.00 C ATOM 1285 CD LYS A 84 -2.771 6.579 5.474 1.00 0.00 C ATOM 1286 CE LYS A 84 -2.287 7.852 4.796 1.00 0.00 C ATOM 1287 NZ LYS A 84 -1.135 8.461 5.517 1.00 0.00 N ATOM 0 H LYS A 84 -1.056 2.187 4.130 1.00 0.00 H new ATOM 0 HA LYS A 84 -0.062 3.816 6.368 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -3.010 3.594 5.678 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -2.277 4.580 6.927 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -0.994 5.603 4.770 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -2.466 5.062 3.987 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -3.842 6.463 5.310 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -2.620 6.659 6.550 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -1.996 7.629 3.770 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -3.105 8.571 4.746 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -0.835 9.326 5.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -1.420 8.698 6.489 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -0.345 7.785 5.543 1.00 0.00 H new ATOM 1301 N PHE A 85 -0.496 1.893 7.852 1.00 0.00 N ATOM 1302 CA PHE A 85 -0.669 0.731 8.716 1.00 0.00 C ATOM 1303 C PHE A 85 -1.719 1.003 9.790 1.00 0.00 C ATOM 1304 O PHE A 85 -1.658 2.013 10.491 1.00 0.00 O ATOM 1305 CB PHE A 85 0.662 0.354 9.372 1.00 0.00 C ATOM 1306 CG PHE A 85 0.535 -0.730 10.404 1.00 0.00 C ATOM 1307 CD1 PHE A 85 0.254 -0.418 11.724 1.00 0.00 C ATOM 1308 CD2 PHE A 85 0.699 -2.060 10.054 1.00 0.00 C ATOM 1309 CE1 PHE A 85 0.137 -1.413 12.677 1.00 0.00 C ATOM 1310 CE2 PHE A 85 0.582 -3.060 11.001 1.00 0.00 C ATOM 1311 CZ PHE A 85 0.302 -2.736 12.314 1.00 0.00 C ATOM 0 H PHE A 85 0.177 2.578 8.196 1.00 0.00 H new ATOM 0 HA PHE A 85 -1.011 -0.101 8.100 1.00 0.00 H new ATOM 0 HB2 PHE A 85 1.360 0.030 8.600 1.00 0.00 H new ATOM 0 HB3 PHE A 85 1.092 1.240 9.838 1.00 0.00 H new ATOM 0 HD1 PHE A 85 0.125 0.615 12.012 1.00 0.00 H new ATOM 0 HD2 PHE A 85 0.921 -2.319 9.029 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -0.083 -1.157 13.703 1.00 0.00 H new ATOM 0 HE2 PHE A 85 0.709 -4.093 10.715 1.00 0.00 H new ATOM 0 HZ PHE A 85 0.212 -3.516 13.056 1.00 0.00 H new ATOM 1321 N PHE A 86 -2.681 0.095 9.911 1.00 0.00 N ATOM 1322 CA PHE A 86 -3.746 0.237 10.897 1.00 0.00 C ATOM 1323 C PHE A 86 -3.562 -0.755 12.042 1.00 0.00 C ATOM 1324 O PHE A 86 -3.741 -1.963 11.886 1.00 0.00 O ATOM 1325 CB PHE A 86 -5.111 0.025 10.239 1.00 0.00 C ATOM 1326 CG PHE A 86 -5.361 0.938 9.072 1.00 0.00 C ATOM 1327 CD1 PHE A 86 -4.569 2.056 8.867 1.00 0.00 C ATOM 1328 CD2 PHE A 86 -6.390 0.677 8.180 1.00 0.00 C ATOM 1329 CE1 PHE A 86 -4.797 2.897 7.794 1.00 0.00 C ATOM 1330 CE2 PHE A 86 -6.622 1.514 7.106 1.00 0.00 C ATOM 1331 CZ PHE A 86 -5.825 2.626 6.913 1.00 0.00 C ATOM 0 H PHE A 86 -2.745 -0.747 9.339 1.00 0.00 H new ATOM 0 HA PHE A 86 -3.699 1.248 11.303 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -5.187 -1.009 9.904 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -5.892 0.178 10.984 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -3.764 2.273 9.554 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -7.017 -0.190 8.327 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -4.172 3.765 7.645 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -7.426 1.299 6.417 1.00 0.00 H new ATOM 0 HZ PHE A 86 -6.006 3.282 6.074 1.00 0.00 H new ATOM 1341 N PRO A 87 -3.195 -0.233 13.222 1.00 0.00 N ATOM 1342 CA PRO A 87 -2.979 -1.054 14.417 1.00 0.00 C ATOM 1343 C PRO A 87 -4.278 -1.633 14.966 1.00 0.00 C ATOM 1344 O PRO A 87 -5.368 -1.226 14.565 1.00 0.00 O ATOM 1345 CB PRO A 87 -2.367 -0.070 15.418 1.00 0.00 C ATOM 1346 CG PRO A 87 -2.855 1.268 14.979 1.00 0.00 C ATOM 1347 CD PRO A 87 -2.964 1.198 13.481 1.00 0.00 C ATOM 0 HA PRO A 87 -2.349 -1.919 14.208 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -2.684 -0.293 16.437 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -1.278 -0.118 15.406 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -3.820 1.499 15.430 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -2.165 2.054 15.284 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -3.785 1.811 13.109 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -2.055 1.553 12.995 1.00 0.00 H new ATOM 1355 N ALA A 88 -4.155 -2.584 15.886 1.00 0.00 N ATOM 1356 CA ALA A 88 -5.320 -3.217 16.492 1.00 0.00 C ATOM 1357 C ALA A 88 -5.973 -2.297 17.518 1.00 0.00 C ATOM 1358 O ALA A 88 -6.238 -2.703 18.650 1.00 0.00 O ATOM 1359 CB ALA A 88 -4.928 -4.537 17.138 1.00 0.00 C ATOM 0 H ALA A 88 -3.260 -2.933 16.228 1.00 0.00 H new ATOM 0 HA ALA A 88 -6.047 -3.413 15.704 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -5.808 -4.998 17.586 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -4.515 -5.204 16.381 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -4.180 -4.356 17.910 1.00 0.00 H new ATOM 1365 N SER A 89 -6.229 -1.056 17.116 1.00 0.00 N ATOM 1366 CA SER A 89 -6.847 -0.077 18.002 1.00 0.00 C ATOM 1367 C SER A 89 -8.280 0.219 17.570 1.00 0.00 C ATOM 1368 O SER A 89 -8.561 0.383 16.384 1.00 0.00 O ATOM 1369 CB SER A 89 -6.030 1.216 18.017 1.00 0.00 C ATOM 1370 OG SER A 89 -6.340 2.029 16.899 1.00 0.00 O ATOM 0 H SER A 89 -6.018 -0.705 16.182 1.00 0.00 H new ATOM 0 HA SER A 89 -6.868 -0.497 19.008 1.00 0.00 H new ATOM 0 HB2 SER A 89 -6.230 1.766 18.937 1.00 0.00 H new ATOM 0 HB3 SER A 89 -4.966 0.978 18.013 1.00 0.00 H new ATOM 0 HG SER A 89 -5.992 1.611 16.084 1.00 0.00 H new ATOM 1376 N ALA A 90 -9.183 0.285 18.543 1.00 0.00 N ATOM 1377 CA ALA A 90 -10.586 0.563 18.265 1.00 0.00 C ATOM 1378 C ALA A 90 -10.833 2.062 18.129 1.00 0.00 C ATOM 1379 O ALA A 90 -11.966 2.528 18.247 1.00 0.00 O ATOM 1380 CB ALA A 90 -11.467 -0.020 19.361 1.00 0.00 C ATOM 0 H ALA A 90 -8.967 0.150 19.531 1.00 0.00 H new ATOM 0 HA ALA A 90 -10.843 0.091 17.317 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -12.513 0.195 19.140 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -11.321 -1.099 19.410 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -11.199 0.426 20.319 1.00 0.00 H new ATOM 1386 N ASP A 91 -9.765 2.812 17.879 1.00 0.00 N ATOM 1387 CA ASP A 91 -9.865 4.258 17.725 1.00 0.00 C ATOM 1388 C ASP A 91 -9.529 4.678 16.298 1.00 0.00 C ATOM 1389 O ASP A 91 -8.965 5.749 16.072 1.00 0.00 O ATOM 1390 CB ASP A 91 -8.932 4.963 18.711 1.00 0.00 C ATOM 1391 CG ASP A 91 -9.004 4.368 20.103 1.00 0.00 C ATOM 1392 OD1 ASP A 91 -8.284 3.381 20.365 1.00 0.00 O ATOM 1393 OD2 ASP A 91 -9.778 4.890 20.932 1.00 0.00 O ATOM 0 H ASP A 91 -8.820 2.442 17.779 1.00 0.00 H new ATOM 0 HA ASP A 91 -10.893 4.551 17.937 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -7.907 4.900 18.345 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -9.190 6.021 18.758 1.00 0.00 H new ATOM 1398 N ARG A 92 -9.878 3.827 15.339 1.00 0.00 N ATOM 1399 CA ARG A 92 -9.611 4.109 13.933 1.00 0.00 C ATOM 1400 C ARG A 92 -8.269 4.814 13.765 1.00 0.00 C ATOM 1401 O ARG A 92 -8.165 5.816 13.057 1.00 0.00 O ATOM 1402 CB ARG A 92 -10.729 4.970 13.343 1.00 0.00 C ATOM 1403 CG ARG A 92 -10.874 6.325 14.015 1.00 0.00 C ATOM 1404 CD ARG A 92 -11.541 7.335 13.095 1.00 0.00 C ATOM 1405 NE ARG A 92 -12.969 7.072 12.937 1.00 0.00 N ATOM 1406 CZ ARG A 92 -13.849 7.994 12.563 1.00 0.00 C ATOM 1407 NH1 ARG A 92 -13.450 9.232 12.310 1.00 0.00 N ATOM 1408 NH2 ARG A 92 -15.132 7.677 12.442 1.00 0.00 N ATOM 0 H ARG A 92 -10.346 2.937 15.509 1.00 0.00 H new ATOM 0 HA ARG A 92 -9.572 3.160 13.399 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -10.538 5.120 12.280 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -11.673 4.431 13.425 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -11.461 6.219 14.927 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -9.891 6.693 14.310 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -11.399 8.339 13.495 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -11.058 7.310 12.118 1.00 0.00 H new ATOM 0 HE ARG A 92 -13.309 6.129 13.124 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -12.465 9.479 12.402 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -14.128 9.938 12.023 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -15.443 6.725 12.636 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -15.807 8.385 12.155 1.00 0.00 H new ATOM 1422 N THR A 93 -7.241 4.284 14.422 1.00 0.00 N ATOM 1423 CA THR A 93 -5.906 4.862 14.348 1.00 0.00 C ATOM 1424 C THR A 93 -5.225 4.506 13.031 1.00 0.00 C ATOM 1425 O THR A 93 -5.480 3.448 12.455 1.00 0.00 O ATOM 1426 CB THR A 93 -5.021 4.386 15.515 1.00 0.00 C ATOM 1427 OG1 THR A 93 -5.674 4.648 16.763 1.00 0.00 O ATOM 1428 CG2 THR A 93 -3.669 5.083 15.489 1.00 0.00 C ATOM 0 H THR A 93 -7.309 3.454 15.012 1.00 0.00 H new ATOM 0 HA THR A 93 -6.027 5.943 14.411 1.00 0.00 H new ATOM 0 HB THR A 93 -4.861 3.313 15.406 1.00 0.00 H new ATOM 0 HG1 THR A 93 -6.047 3.814 17.118 1.00 0.00 H new ATOM 0 HG21 THR A 93 -3.062 4.730 16.323 1.00 0.00 H new ATOM 0 HG22 THR A 93 -3.162 4.859 14.551 1.00 0.00 H new ATOM 0 HG23 THR A 93 -3.813 6.160 15.575 1.00 0.00 H new ATOM 1436 N VAL A 94 -4.356 5.395 12.560 1.00 0.00 N ATOM 1437 CA VAL A 94 -3.637 5.173 11.311 1.00 0.00 C ATOM 1438 C VAL A 94 -2.159 5.518 11.460 1.00 0.00 C ATOM 1439 O VAL A 94 -1.808 6.561 12.014 1.00 0.00 O ATOM 1440 CB VAL A 94 -4.235 6.006 10.163 1.00 0.00 C ATOM 1441 CG1 VAL A 94 -3.255 6.099 9.003 1.00 0.00 C ATOM 1442 CG2 VAL A 94 -5.559 5.411 9.706 1.00 0.00 C ATOM 0 H VAL A 94 -4.133 6.275 13.024 1.00 0.00 H new ATOM 0 HA VAL A 94 -3.738 4.115 11.071 1.00 0.00 H new ATOM 0 HB VAL A 94 -4.423 7.015 10.530 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -3.695 6.692 8.201 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -2.334 6.574 9.342 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -3.032 5.098 8.634 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -5.967 6.013 8.894 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -5.398 4.391 9.357 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -6.261 5.402 10.540 1.00 0.00 H new ATOM 1452 N ILE A 95 -1.298 4.638 10.961 1.00 0.00 N ATOM 1453 CA ILE A 95 0.141 4.851 11.036 1.00 0.00 C ATOM 1454 C ILE A 95 0.732 5.108 9.654 1.00 0.00 C ATOM 1455 O ILE A 95 0.278 4.543 8.659 1.00 0.00 O ATOM 1456 CB ILE A 95 0.857 3.644 11.672 1.00 0.00 C ATOM 1457 CG1 ILE A 95 0.497 3.534 13.155 1.00 0.00 C ATOM 1458 CG2 ILE A 95 2.363 3.767 11.494 1.00 0.00 C ATOM 1459 CD1 ILE A 95 1.292 2.480 13.893 1.00 0.00 C ATOM 0 H ILE A 95 -1.573 3.770 10.500 1.00 0.00 H new ATOM 0 HA ILE A 95 0.297 5.728 11.664 1.00 0.00 H new ATOM 0 HB ILE A 95 0.525 2.736 11.168 1.00 0.00 H new ATOM 0 HG12 ILE A 95 0.659 4.500 13.633 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -0.565 3.307 13.247 1.00 0.00 H new ATOM 0 HG21 ILE A 95 2.855 2.907 11.949 1.00 0.00 H new ATOM 0 HG22 ILE A 95 2.602 3.802 10.431 1.00 0.00 H new ATOM 0 HG23 ILE A 95 2.713 4.681 11.975 1.00 0.00 H new ATOM 0 HD11 ILE A 95 0.984 2.458 14.938 1.00 0.00 H new ATOM 0 HD12 ILE A 95 1.111 1.505 13.441 1.00 0.00 H new ATOM 0 HD13 ILE A 95 2.354 2.717 13.832 1.00 0.00 H new ATOM 1471 N ASP A 96 1.749 5.962 9.601 1.00 0.00 N ATOM 1472 CA ASP A 96 2.405 6.291 8.341 1.00 0.00 C ATOM 1473 C ASP A 96 3.567 5.341 8.068 1.00 0.00 C ATOM 1474 O ASP A 96 4.469 5.194 8.894 1.00 0.00 O ATOM 1475 CB ASP A 96 2.906 7.736 8.365 1.00 0.00 C ATOM 1476 CG ASP A 96 1.781 8.736 8.548 1.00 0.00 C ATOM 1477 OD1 ASP A 96 0.828 8.712 7.741 1.00 0.00 O ATOM 1478 OD2 ASP A 96 1.854 9.542 9.498 1.00 0.00 O ATOM 0 H ASP A 96 2.136 6.438 10.415 1.00 0.00 H new ATOM 0 HA ASP A 96 1.674 6.181 7.540 1.00 0.00 H new ATOM 0 HB2 ASP A 96 3.628 7.854 9.173 1.00 0.00 H new ATOM 0 HB3 ASP A 96 3.431 7.951 7.434 1.00 0.00 H new ATOM 1483 N TYR A 97 3.539 4.698 6.907 1.00 0.00 N ATOM 1484 CA TYR A 97 4.588 3.759 6.527 1.00 0.00 C ATOM 1485 C TYR A 97 5.773 4.490 5.902 1.00 0.00 C ATOM 1486 O TYR A 97 5.714 4.920 4.751 1.00 0.00 O ATOM 1487 CB TYR A 97 4.041 2.720 5.547 1.00 0.00 C ATOM 1488 CG TYR A 97 5.097 1.786 5.003 1.00 0.00 C ATOM 1489 CD1 TYR A 97 5.824 2.115 3.865 1.00 0.00 C ATOM 1490 CD2 TYR A 97 5.369 0.573 5.625 1.00 0.00 C ATOM 1491 CE1 TYR A 97 6.791 1.264 3.364 1.00 0.00 C ATOM 1492 CE2 TYR A 97 6.334 -0.283 5.132 1.00 0.00 C ATOM 1493 CZ TYR A 97 7.042 0.067 4.001 1.00 0.00 C ATOM 1494 OH TYR A 97 8.003 -0.784 3.505 1.00 0.00 O ATOM 0 H TYR A 97 2.801 4.810 6.212 1.00 0.00 H new ATOM 0 HA TYR A 97 4.931 3.252 7.429 1.00 0.00 H new ATOM 0 HB2 TYR A 97 3.271 2.132 6.046 1.00 0.00 H new ATOM 0 HB3 TYR A 97 3.560 3.235 4.715 1.00 0.00 H new ATOM 0 HD1 TYR A 97 5.630 3.052 3.364 1.00 0.00 H new ATOM 0 HD2 TYR A 97 4.816 0.295 6.510 1.00 0.00 H new ATOM 0 HE1 TYR A 97 7.347 1.535 2.479 1.00 0.00 H new ATOM 0 HE2 TYR A 97 6.533 -1.221 5.629 1.00 0.00 H new ATOM 0 HH TYR A 97 7.598 -1.387 2.848 1.00 0.00 H new ATOM 1504 N ASN A 98 6.848 4.625 6.671 1.00 0.00 N ATOM 1505 CA ASN A 98 8.048 5.302 6.195 1.00 0.00 C ATOM 1506 C ASN A 98 9.206 4.320 6.048 1.00 0.00 C ATOM 1507 O ASN A 98 10.330 4.603 6.460 1.00 0.00 O ATOM 1508 CB ASN A 98 8.438 6.428 7.155 1.00 0.00 C ATOM 1509 CG ASN A 98 7.232 7.180 7.685 1.00 0.00 C ATOM 1510 OD1 ASN A 98 7.014 7.251 8.894 1.00 0.00 O ATOM 1511 ND2 ASN A 98 6.443 7.745 6.779 1.00 0.00 N ATOM 0 H ASN A 98 6.913 4.274 7.627 1.00 0.00 H new ATOM 0 HA ASN A 98 7.830 5.727 5.215 1.00 0.00 H new ATOM 0 HB2 ASN A 98 8.999 6.011 7.991 1.00 0.00 H new ATOM 0 HB3 ASN A 98 9.101 7.125 6.643 1.00 0.00 H new ATOM 0 HD21 ASN A 98 5.617 8.264 7.075 1.00 0.00 H new ATOM 0 HD22 ASN A 98 6.663 7.660 5.787 1.00 0.00 H new ATOM 1518 N GLY A 99 8.922 3.163 5.458 1.00 0.00 N ATOM 1519 CA GLY A 99 9.950 2.156 5.267 1.00 0.00 C ATOM 1520 C GLY A 99 10.639 2.279 3.922 1.00 0.00 C ATOM 1521 O GLY A 99 10.860 3.385 3.430 1.00 0.00 O ATOM 0 H GLY A 99 7.999 2.905 5.109 1.00 0.00 H new ATOM 0 HA2 GLY A 99 10.692 2.243 6.061 1.00 0.00 H new ATOM 0 HA3 GLY A 99 9.504 1.165 5.354 1.00 0.00 H new ATOM 1525 N GLU A 100 10.980 1.140 3.328 1.00 0.00 N ATOM 1526 CA GLU A 100 11.651 1.126 2.033 1.00 0.00 C ATOM 1527 C GLU A 100 10.649 0.902 0.904 1.00 0.00 C ATOM 1528 O GLU A 100 10.973 1.076 -0.271 1.00 0.00 O ATOM 1529 CB GLU A 100 12.724 0.036 2.001 1.00 0.00 C ATOM 1530 CG GLU A 100 12.342 -1.217 2.772 1.00 0.00 C ATOM 1531 CD GLU A 100 12.781 -1.166 4.222 1.00 0.00 C ATOM 1532 OE1 GLU A 100 12.875 -0.051 4.775 1.00 0.00 O ATOM 1533 OE2 GLU A 100 13.031 -2.243 4.804 1.00 0.00 O ATOM 0 H GLU A 100 10.803 0.216 3.722 1.00 0.00 H new ATOM 0 HA GLU A 100 12.125 2.097 1.888 1.00 0.00 H new ATOM 0 HB2 GLU A 100 12.926 -0.233 0.964 1.00 0.00 H new ATOM 0 HB3 GLU A 100 13.650 0.437 2.412 1.00 0.00 H new ATOM 0 HG2 GLU A 100 11.261 -1.351 2.728 1.00 0.00 H new ATOM 0 HG3 GLU A 100 12.791 -2.086 2.291 1.00 0.00 H new ATOM 1540 N ARG A 101 9.431 0.516 1.269 1.00 0.00 N ATOM 1541 CA ARG A 101 8.382 0.266 0.288 1.00 0.00 C ATOM 1542 C ARG A 101 8.737 -0.927 -0.596 1.00 0.00 C ATOM 1543 O ARG A 101 8.539 -0.894 -1.811 1.00 0.00 O ATOM 1544 CB ARG A 101 8.159 1.507 -0.579 1.00 0.00 C ATOM 1545 CG ARG A 101 6.945 1.406 -1.487 1.00 0.00 C ATOM 1546 CD ARG A 101 6.516 2.772 -1.999 1.00 0.00 C ATOM 1547 NE ARG A 101 7.584 3.439 -2.740 1.00 0.00 N ATOM 1548 CZ ARG A 101 7.829 3.223 -4.028 1.00 0.00 C ATOM 1549 NH1 ARG A 101 7.088 2.364 -4.713 1.00 0.00 N ATOM 1550 NH2 ARG A 101 8.819 3.868 -4.632 1.00 0.00 N ATOM 0 H ARG A 101 9.146 0.370 2.237 1.00 0.00 H new ATOM 0 HA ARG A 101 7.463 0.037 0.827 1.00 0.00 H new ATOM 0 HB2 ARG A 101 8.046 2.377 0.069 1.00 0.00 H new ATOM 0 HB3 ARG A 101 9.046 1.677 -1.190 1.00 0.00 H new ATOM 0 HG2 ARG A 101 7.174 0.756 -2.331 1.00 0.00 H new ATOM 0 HG3 ARG A 101 6.120 0.945 -0.944 1.00 0.00 H new ATOM 0 HD2 ARG A 101 5.643 2.660 -2.643 1.00 0.00 H new ATOM 0 HD3 ARG A 101 6.214 3.396 -1.158 1.00 0.00 H new ATOM 0 HE ARG A 101 8.173 4.106 -2.242 1.00 0.00 H new ATOM 0 HH11 ARG A 101 6.327 1.866 -4.252 1.00 0.00 H new ATOM 0 HH12 ARG A 101 7.279 2.201 -5.702 1.00 0.00 H new ATOM 0 HH21 ARG A 101 9.392 4.529 -4.108 1.00 0.00 H new ATOM 0 HH22 ARG A 101 9.007 3.702 -5.621 1.00 0.00 H new ATOM 1564 N THR A 102 9.262 -1.979 0.023 1.00 0.00 N ATOM 1565 CA THR A 102 9.646 -3.182 -0.706 1.00 0.00 C ATOM 1566 C THR A 102 8.991 -4.420 -0.106 1.00 0.00 C ATOM 1567 O THR A 102 8.815 -4.516 1.109 1.00 0.00 O ATOM 1568 CB THR A 102 11.174 -3.373 -0.708 1.00 0.00 C ATOM 1569 OG1 THR A 102 11.644 -3.583 0.628 1.00 0.00 O ATOM 1570 CG2 THR A 102 11.870 -2.163 -1.312 1.00 0.00 C ATOM 0 H THR A 102 9.431 -2.023 1.028 1.00 0.00 H new ATOM 0 HA THR A 102 9.302 -3.054 -1.732 1.00 0.00 H new ATOM 0 HB THR A 102 11.407 -4.247 -1.316 1.00 0.00 H new ATOM 0 HG1 THR A 102 12.257 -4.348 0.643 1.00 0.00 H new ATOM 0 HG21 THR A 102 12.948 -2.321 -1.302 1.00 0.00 H new ATOM 0 HG22 THR A 102 11.533 -2.024 -2.339 1.00 0.00 H new ATOM 0 HG23 THR A 102 11.628 -1.275 -0.728 1.00 0.00 H new ATOM 1578 N LEU A 103 8.632 -5.368 -0.965 1.00 0.00 N ATOM 1579 CA LEU A 103 7.996 -6.603 -0.519 1.00 0.00 C ATOM 1580 C LEU A 103 8.600 -7.082 0.797 1.00 0.00 C ATOM 1581 O LEU A 103 7.880 -7.359 1.757 1.00 0.00 O ATOM 1582 CB LEU A 103 8.144 -7.690 -1.586 1.00 0.00 C ATOM 1583 CG LEU A 103 7.714 -9.098 -1.174 1.00 0.00 C ATOM 1584 CD1 LEU A 103 6.240 -9.119 -0.803 1.00 0.00 C ATOM 1585 CD2 LEU A 103 7.999 -10.091 -2.291 1.00 0.00 C ATOM 0 H LEU A 103 8.770 -5.305 -1.974 1.00 0.00 H new ATOM 0 HA LEU A 103 6.937 -6.400 -0.359 1.00 0.00 H new ATOM 0 HB2 LEU A 103 7.562 -7.395 -2.459 1.00 0.00 H new ATOM 0 HB3 LEU A 103 9.188 -7.727 -1.896 1.00 0.00 H new ATOM 0 HG LEU A 103 8.292 -9.392 -0.298 1.00 0.00 H new ATOM 0 HD11 LEU A 103 5.952 -10.129 -0.513 1.00 0.00 H new ATOM 0 HD12 LEU A 103 6.065 -8.438 0.030 1.00 0.00 H new ATOM 0 HD13 LEU A 103 5.645 -8.804 -1.660 1.00 0.00 H new ATOM 0 HD21 LEU A 103 7.687 -11.088 -1.980 1.00 0.00 H new ATOM 0 HD22 LEU A 103 7.448 -9.800 -3.185 1.00 0.00 H new ATOM 0 HD23 LEU A 103 9.067 -10.097 -2.509 1.00 0.00 H new ATOM 1597 N ASP A 104 9.924 -7.176 0.835 1.00 0.00 N ATOM 1598 CA ASP A 104 10.625 -7.618 2.035 1.00 0.00 C ATOM 1599 C ASP A 104 10.602 -6.534 3.109 1.00 0.00 C ATOM 1600 O ASP A 104 10.489 -6.827 4.298 1.00 0.00 O ATOM 1601 CB ASP A 104 12.070 -7.990 1.700 1.00 0.00 C ATOM 1602 CG ASP A 104 12.620 -9.063 2.619 1.00 0.00 C ATOM 1603 OD1 ASP A 104 12.682 -8.821 3.842 1.00 0.00 O ATOM 1604 OD2 ASP A 104 12.990 -10.144 2.115 1.00 0.00 O ATOM 0 H ASP A 104 10.534 -6.952 0.049 1.00 0.00 H new ATOM 0 HA ASP A 104 10.112 -8.498 2.422 1.00 0.00 H new ATOM 0 HB2 ASP A 104 12.123 -8.338 0.668 1.00 0.00 H new ATOM 0 HB3 ASP A 104 12.696 -7.101 1.769 1.00 0.00 H new ATOM 1609 N GLY A 105 10.711 -5.280 2.679 1.00 0.00 N ATOM 1610 CA GLY A 105 10.702 -4.172 3.616 1.00 0.00 C ATOM 1611 C GLY A 105 9.408 -4.088 4.401 1.00 0.00 C ATOM 1612 O GLY A 105 9.398 -3.639 5.548 1.00 0.00 O ATOM 0 H GLY A 105 10.805 -5.012 1.699 1.00 0.00 H new ATOM 0 HA2 GLY A 105 11.537 -4.279 4.308 1.00 0.00 H new ATOM 0 HA3 GLY A 105 10.855 -3.239 3.073 1.00 0.00 H new ATOM 1616 N PHE A 106 8.313 -4.519 3.784 1.00 0.00 N ATOM 1617 CA PHE A 106 7.007 -4.487 4.432 1.00 0.00 C ATOM 1618 C PHE A 106 6.956 -5.469 5.599 1.00 0.00 C ATOM 1619 O PHE A 106 6.482 -5.135 6.685 1.00 0.00 O ATOM 1620 CB PHE A 106 5.906 -4.819 3.423 1.00 0.00 C ATOM 1621 CG PHE A 106 5.772 -3.802 2.325 1.00 0.00 C ATOM 1622 CD1 PHE A 106 5.762 -2.447 2.616 1.00 0.00 C ATOM 1623 CD2 PHE A 106 5.658 -4.201 1.003 1.00 0.00 C ATOM 1624 CE1 PHE A 106 5.639 -1.510 1.607 1.00 0.00 C ATOM 1625 CE2 PHE A 106 5.535 -3.268 -0.009 1.00 0.00 C ATOM 1626 CZ PHE A 106 5.526 -1.921 0.294 1.00 0.00 C ATOM 0 H PHE A 106 8.304 -4.895 2.836 1.00 0.00 H new ATOM 0 HA PHE A 106 6.845 -3.481 4.819 1.00 0.00 H new ATOM 0 HB2 PHE A 106 6.111 -5.794 2.981 1.00 0.00 H new ATOM 0 HB3 PHE A 106 4.955 -4.901 3.949 1.00 0.00 H new ATOM 0 HD1 PHE A 106 5.851 -2.120 3.641 1.00 0.00 H new ATOM 0 HD2 PHE A 106 5.665 -5.253 0.761 1.00 0.00 H new ATOM 0 HE1 PHE A 106 5.631 -0.457 1.846 1.00 0.00 H new ATOM 0 HE2 PHE A 106 5.446 -3.592 -1.035 1.00 0.00 H new ATOM 0 HZ PHE A 106 5.431 -1.190 -0.495 1.00 0.00 H new ATOM 1636 N LYS A 107 7.446 -6.682 5.366 1.00 0.00 N ATOM 1637 CA LYS A 107 7.457 -7.714 6.396 1.00 0.00 C ATOM 1638 C LYS A 107 8.152 -7.214 7.659 1.00 0.00 C ATOM 1639 O LYS A 107 7.735 -7.526 8.775 1.00 0.00 O ATOM 1640 CB LYS A 107 8.158 -8.972 5.879 1.00 0.00 C ATOM 1641 CG LYS A 107 7.837 -9.295 4.431 1.00 0.00 C ATOM 1642 CD LYS A 107 7.890 -10.791 4.168 1.00 0.00 C ATOM 1643 CE LYS A 107 8.113 -11.091 2.694 1.00 0.00 C ATOM 1644 NZ LYS A 107 9.560 -11.205 2.364 1.00 0.00 N ATOM 0 H LYS A 107 7.841 -6.975 4.472 1.00 0.00 H new ATOM 0 HA LYS A 107 6.424 -7.957 6.643 1.00 0.00 H new ATOM 0 HB2 LYS A 107 9.236 -8.847 5.984 1.00 0.00 H new ATOM 0 HB3 LYS A 107 7.873 -9.819 6.503 1.00 0.00 H new ATOM 0 HG2 LYS A 107 6.845 -8.916 4.184 1.00 0.00 H new ATOM 0 HG3 LYS A 107 8.545 -8.785 3.778 1.00 0.00 H new ATOM 0 HD2 LYS A 107 8.692 -11.237 4.756 1.00 0.00 H new ATOM 0 HD3 LYS A 107 6.959 -11.252 4.497 1.00 0.00 H new ATOM 0 HE2 LYS A 107 7.606 -12.020 2.432 1.00 0.00 H new ATOM 0 HE3 LYS A 107 7.664 -10.302 2.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 9.716 -10.905 1.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 10.111 -10.597 3.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 9.865 -12.193 2.478 1.00 0.00 H new ATOM 1658 N LYS A 108 9.213 -6.435 7.476 1.00 0.00 N ATOM 1659 CA LYS A 108 9.965 -5.889 8.600 1.00 0.00 C ATOM 1660 C LYS A 108 9.101 -4.936 9.420 1.00 0.00 C ATOM 1661 O LYS A 108 9.161 -4.932 10.650 1.00 0.00 O ATOM 1662 CB LYS A 108 11.213 -5.160 8.099 1.00 0.00 C ATOM 1663 CG LYS A 108 11.976 -5.924 7.030 1.00 0.00 C ATOM 1664 CD LYS A 108 13.411 -5.440 6.916 1.00 0.00 C ATOM 1665 CE LYS A 108 14.029 -5.836 5.583 1.00 0.00 C ATOM 1666 NZ LYS A 108 15.414 -5.308 5.435 1.00 0.00 N ATOM 0 H LYS A 108 9.572 -6.167 6.559 1.00 0.00 H new ATOM 0 HA LYS A 108 10.269 -6.718 9.239 1.00 0.00 H new ATOM 0 HB2 LYS A 108 10.921 -4.189 7.700 1.00 0.00 H new ATOM 0 HB3 LYS A 108 11.877 -4.972 8.943 1.00 0.00 H new ATOM 0 HG2 LYS A 108 11.968 -6.988 7.266 1.00 0.00 H new ATOM 0 HG3 LYS A 108 11.474 -5.807 6.070 1.00 0.00 H new ATOM 0 HD2 LYS A 108 13.440 -4.356 7.024 1.00 0.00 H new ATOM 0 HD3 LYS A 108 14.003 -5.857 7.731 1.00 0.00 H new ATOM 0 HE2 LYS A 108 14.044 -6.923 5.498 1.00 0.00 H new ATOM 0 HE3 LYS A 108 13.408 -5.461 4.769 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 15.800 -5.599 4.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 15.397 -4.270 5.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 16.013 -5.686 6.197 1.00 0.00 H new ATOM 1680 N PHE A 109 8.299 -4.131 8.732 1.00 0.00 N ATOM 1681 CA PHE A 109 7.423 -3.174 9.398 1.00 0.00 C ATOM 1682 C PHE A 109 6.239 -3.882 10.049 1.00 0.00 C ATOM 1683 O PHE A 109 5.850 -3.561 11.173 1.00 0.00 O ATOM 1684 CB PHE A 109 6.920 -2.130 8.398 1.00 0.00 C ATOM 1685 CG PHE A 109 6.113 -1.033 9.032 1.00 0.00 C ATOM 1686 CD1 PHE A 109 4.741 -1.159 9.176 1.00 0.00 C ATOM 1687 CD2 PHE A 109 6.727 0.124 9.483 1.00 0.00 C ATOM 1688 CE1 PHE A 109 3.995 -0.152 9.760 1.00 0.00 C ATOM 1689 CE2 PHE A 109 5.987 1.135 10.067 1.00 0.00 C ATOM 1690 CZ PHE A 109 4.619 0.997 10.205 1.00 0.00 C ATOM 0 H PHE A 109 8.237 -4.122 7.714 1.00 0.00 H new ATOM 0 HA PHE A 109 7.998 -2.674 10.177 1.00 0.00 H new ATOM 0 HB2 PHE A 109 7.774 -1.691 7.883 1.00 0.00 H new ATOM 0 HB3 PHE A 109 6.312 -2.626 7.641 1.00 0.00 H new ATOM 0 HD1 PHE A 109 4.248 -2.055 8.828 1.00 0.00 H new ATOM 0 HD2 PHE A 109 7.796 0.237 9.377 1.00 0.00 H new ATOM 0 HE1 PHE A 109 2.926 -0.264 9.868 1.00 0.00 H new ATOM 0 HE2 PHE A 109 6.478 2.032 10.415 1.00 0.00 H new ATOM 0 HZ PHE A 109 4.039 1.786 10.660 1.00 0.00 H new ATOM 1700 N LEU A 110 5.668 -4.846 9.336 1.00 0.00 N ATOM 1701 CA LEU A 110 4.527 -5.601 9.843 1.00 0.00 C ATOM 1702 C LEU A 110 4.939 -6.491 11.011 1.00 0.00 C ATOM 1703 O LEU A 110 4.448 -6.332 12.128 1.00 0.00 O ATOM 1704 CB LEU A 110 3.918 -6.453 8.728 1.00 0.00 C ATOM 1705 CG LEU A 110 3.294 -5.686 7.562 1.00 0.00 C ATOM 1706 CD1 LEU A 110 3.165 -6.583 6.341 1.00 0.00 C ATOM 1707 CD2 LEU A 110 1.936 -5.124 7.959 1.00 0.00 C ATOM 0 H LEU A 110 5.976 -5.124 8.404 1.00 0.00 H new ATOM 0 HA LEU A 110 3.781 -4.890 10.197 1.00 0.00 H new ATOM 0 HB2 LEU A 110 4.695 -7.107 8.332 1.00 0.00 H new ATOM 0 HB3 LEU A 110 3.153 -7.095 9.165 1.00 0.00 H new ATOM 0 HG LEU A 110 3.950 -4.853 7.308 1.00 0.00 H new ATOM 0 HD11 LEU A 110 2.719 -6.020 5.521 1.00 0.00 H new ATOM 0 HD12 LEU A 110 4.152 -6.937 6.043 1.00 0.00 H new ATOM 0 HD13 LEU A 110 2.531 -7.437 6.582 1.00 0.00 H new ATOM 0 HD21 LEU A 110 1.507 -4.581 7.117 1.00 0.00 H new ATOM 0 HD22 LEU A 110 1.272 -5.941 8.240 1.00 0.00 H new ATOM 0 HD23 LEU A 110 2.056 -4.446 8.804 1.00 0.00 H new ATOM 1719 N GLU A 111 5.846 -7.426 10.745 1.00 0.00 N ATOM 1720 CA GLU A 111 6.325 -8.340 11.776 1.00 0.00 C ATOM 1721 C GLU A 111 6.565 -7.601 13.089 1.00 0.00 C ATOM 1722 O GLU A 111 6.291 -8.127 14.168 1.00 0.00 O ATOM 1723 CB GLU A 111 7.614 -9.027 11.321 1.00 0.00 C ATOM 1724 CG GLU A 111 7.393 -10.106 10.275 1.00 0.00 C ATOM 1725 CD GLU A 111 8.509 -11.132 10.250 1.00 0.00 C ATOM 1726 OE1 GLU A 111 9.685 -10.726 10.135 1.00 0.00 O ATOM 1727 OE2 GLU A 111 8.207 -12.340 10.344 1.00 0.00 O ATOM 0 H GLU A 111 6.263 -7.570 9.826 1.00 0.00 H new ATOM 0 HA GLU A 111 5.558 -9.096 11.940 1.00 0.00 H new ATOM 0 HB2 GLU A 111 8.293 -8.276 10.918 1.00 0.00 H new ATOM 0 HB3 GLU A 111 8.106 -9.469 12.188 1.00 0.00 H new ATOM 0 HG2 GLU A 111 6.446 -10.609 10.472 1.00 0.00 H new ATOM 0 HG3 GLU A 111 7.309 -9.642 9.292 1.00 0.00 H new ATOM 1734 N SER A 112 7.079 -6.380 12.989 1.00 0.00 N ATOM 1735 CA SER A 112 7.361 -5.569 14.168 1.00 0.00 C ATOM 1736 C SER A 112 6.074 -5.235 14.918 1.00 0.00 C ATOM 1737 O SER A 112 5.998 -5.379 16.137 1.00 0.00 O ATOM 1738 CB SER A 112 8.080 -4.280 13.767 1.00 0.00 C ATOM 1739 OG SER A 112 9.366 -4.557 13.240 1.00 0.00 O ATOM 0 H SER A 112 7.309 -5.930 12.103 1.00 0.00 H new ATOM 0 HA SER A 112 8.007 -6.146 14.829 1.00 0.00 H new ATOM 0 HB2 SER A 112 7.487 -3.745 13.025 1.00 0.00 H new ATOM 0 HB3 SER A 112 8.172 -3.626 14.634 1.00 0.00 H new ATOM 0 HG SER A 112 9.343 -4.480 12.263 1.00 0.00 H new ATOM 1745 N GLY A 113 5.064 -4.788 14.177 1.00 0.00 N ATOM 1746 CA GLY A 113 3.794 -4.440 14.787 1.00 0.00 C ATOM 1747 C GLY A 113 3.377 -3.015 14.485 1.00 0.00 C ATOM 1748 O GLY A 113 2.602 -2.416 15.229 1.00 0.00 O ATOM 0 H GLY A 113 5.103 -4.661 13.166 1.00 0.00 H new ATOM 0 HA2 GLY A 113 3.024 -5.124 14.431 1.00 0.00 H new ATOM 0 HA3 GLY A 113 3.864 -4.574 15.866 1.00 0.00 H new ATOM 1752 N GLY A 114 3.894 -2.469 13.388 1.00 0.00 N ATOM 1753 CA GLY A 114 3.560 -1.108 13.009 1.00 0.00 C ATOM 1754 C GLY A 114 4.201 -0.079 13.919 1.00 0.00 C ATOM 1755 O GLY A 114 3.572 0.915 14.280 1.00 0.00 O ATOM 0 H GLY A 114 4.538 -2.944 12.756 1.00 0.00 H new ATOM 0 HA2 GLY A 114 3.881 -0.931 11.982 1.00 0.00 H new ATOM 0 HA3 GLY A 114 2.477 -0.983 13.031 1.00 0.00 H new ATOM 1759 N GLN A 115 5.454 -0.319 14.291 1.00 0.00 N ATOM 1760 CA GLN A 115 6.178 0.595 15.166 1.00 0.00 C ATOM 1761 C GLN A 115 6.535 1.883 14.433 1.00 0.00 C ATOM 1762 O GLN A 115 6.200 2.055 13.261 1.00 0.00 O ATOM 1763 CB GLN A 115 7.449 -0.073 15.696 1.00 0.00 C ATOM 1764 CG GLN A 115 8.348 -0.625 14.601 1.00 0.00 C ATOM 1765 CD GLN A 115 9.577 -1.321 15.151 1.00 0.00 C ATOM 1766 OE1 GLN A 115 9.549 -1.883 16.247 1.00 0.00 O ATOM 1767 NE2 GLN A 115 10.666 -1.287 14.392 1.00 0.00 N ATOM 0 H GLN A 115 5.988 -1.138 14.000 1.00 0.00 H new ATOM 0 HA GLN A 115 5.529 0.845 16.005 1.00 0.00 H new ATOM 0 HB2 GLN A 115 8.011 0.651 16.286 1.00 0.00 H new ATOM 0 HB3 GLN A 115 7.170 -0.884 16.369 1.00 0.00 H new ATOM 0 HG2 GLN A 115 7.781 -1.327 13.990 1.00 0.00 H new ATOM 0 HG3 GLN A 115 8.659 0.189 13.946 1.00 0.00 H new ATOM 0 HE21 GLN A 115 10.645 -0.810 13.491 1.00 0.00 H new ATOM 0 HE22 GLN A 115 11.524 -1.738 14.710 1.00 0.00 H new ATOM 1776 N SER A 116 7.216 2.787 15.131 1.00 0.00 N ATOM 1777 CA SER A 116 7.614 4.062 14.548 1.00 0.00 C ATOM 1778 C SER A 116 8.481 4.857 15.520 1.00 0.00 C ATOM 1779 O SER A 116 8.164 4.969 16.703 1.00 0.00 O ATOM 1780 CB SER A 116 6.379 4.879 14.163 1.00 0.00 C ATOM 1781 OG SER A 116 5.718 5.377 15.314 1.00 0.00 O ATOM 0 H SER A 116 7.503 2.659 16.101 1.00 0.00 H new ATOM 0 HA SER A 116 8.199 3.856 13.651 1.00 0.00 H new ATOM 0 HB2 SER A 116 6.674 5.709 13.521 1.00 0.00 H new ATOM 0 HB3 SER A 116 5.694 4.258 13.586 1.00 0.00 H new ATOM 0 HG SER A 116 4.933 5.897 15.041 1.00 0.00 H new ATOM 1787 N GLY A 117 9.578 5.408 15.010 1.00 0.00 N ATOM 1788 CA GLY A 117 10.475 6.185 15.845 1.00 0.00 C ATOM 1789 C GLY A 117 11.823 6.415 15.191 1.00 0.00 C ATOM 1790 O GLY A 117 12.323 5.578 14.439 1.00 0.00 O ATOM 0 H GLY A 117 9.862 5.330 14.033 1.00 0.00 H new ATOM 0 HA2 GLY A 117 10.015 7.147 16.070 1.00 0.00 H new ATOM 0 HA3 GLY A 117 10.619 5.671 16.795 1.00 0.00 H new ATOM 1794 N PRO A 118 12.434 7.574 15.477 1.00 0.00 N ATOM 1795 CA PRO A 118 13.741 7.939 14.920 1.00 0.00 C ATOM 1796 C PRO A 118 14.871 7.089 15.491 1.00 0.00 C ATOM 1797 O PRO A 118 15.045 7.006 16.707 1.00 0.00 O ATOM 1798 CB PRO A 118 13.908 9.402 15.338 1.00 0.00 C ATOM 1799 CG PRO A 118 13.064 9.547 16.557 1.00 0.00 C ATOM 1800 CD PRO A 118 11.897 8.618 16.366 1.00 0.00 C ATOM 0 HA PRO A 118 13.784 7.782 13.842 1.00 0.00 H new ATOM 0 HB2 PRO A 118 14.951 9.637 15.549 1.00 0.00 H new ATOM 0 HB3 PRO A 118 13.582 10.079 14.548 1.00 0.00 H new ATOM 0 HG2 PRO A 118 13.626 9.288 17.454 1.00 0.00 H new ATOM 0 HG3 PRO A 118 12.727 10.577 16.678 1.00 0.00 H new ATOM 0 HD2 PRO A 118 11.555 8.202 17.314 1.00 0.00 H new ATOM 0 HD3 PRO A 118 11.046 9.129 15.917 1.00 0.00 H new ATOM 1808 N SER A 119 15.638 6.461 14.605 1.00 0.00 N ATOM 1809 CA SER A 119 16.751 5.615 15.022 1.00 0.00 C ATOM 1810 C SER A 119 17.627 6.334 16.042 1.00 0.00 C ATOM 1811 O SER A 119 17.667 7.564 16.087 1.00 0.00 O ATOM 1812 CB SER A 119 17.590 5.207 13.809 1.00 0.00 C ATOM 1813 OG SER A 119 18.451 6.258 13.408 1.00 0.00 O ATOM 0 H SER A 119 15.509 6.522 13.595 1.00 0.00 H new ATOM 0 HA SER A 119 16.340 4.720 15.489 1.00 0.00 H new ATOM 0 HB2 SER A 119 18.179 4.322 14.051 1.00 0.00 H new ATOM 0 HB3 SER A 119 16.933 4.936 12.983 1.00 0.00 H new ATOM 0 HG SER A 119 18.977 5.972 12.632 1.00 0.00 H new ATOM 1819 N SER A 120 18.329 5.557 16.861 1.00 0.00 N ATOM 1820 CA SER A 120 19.203 6.118 17.885 1.00 0.00 C ATOM 1821 C SER A 120 18.477 7.190 18.692 1.00 0.00 C ATOM 1822 O SER A 120 19.052 8.223 19.033 1.00 0.00 O ATOM 1823 CB SER A 120 20.460 6.710 17.244 1.00 0.00 C ATOM 1824 OG SER A 120 21.448 5.715 17.043 1.00 0.00 O ATOM 0 H SER A 120 18.310 4.538 16.835 1.00 0.00 H new ATOM 0 HA SER A 120 19.493 5.313 18.561 1.00 0.00 H new ATOM 0 HB2 SER A 120 20.203 7.170 16.290 1.00 0.00 H new ATOM 0 HB3 SER A 120 20.859 7.500 17.881 1.00 0.00 H new ATOM 0 HG SER A 120 22.240 6.119 16.631 1.00 0.00 H new ATOM 1830 N GLY A 121 17.207 6.936 18.993 1.00 0.00 N ATOM 1831 CA GLY A 121 16.421 7.887 19.757 1.00 0.00 C ATOM 1832 C GLY A 121 17.155 8.393 20.983 1.00 0.00 C ATOM 1833 O GLY A 121 17.371 9.596 21.133 1.00 0.00 O ATOM 0 H GLY A 121 16.709 6.089 18.721 1.00 0.00 H new ATOM 0 HA2 GLY A 121 16.159 8.732 19.120 1.00 0.00 H new ATOM 0 HA3 GLY A 121 15.487 7.417 20.065 1.00 0.00 H new TER 1837 GLY A 121