USER MOD reduce.3.24.130724 H: found=0, std=0, add=917, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 914 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 Single : A 1 ASP N :NH3+ 168:sc= -0.144 (180deg=-0.321) USER MOD Single : A 8 HIS : no HD1:sc= -0.149 X(o=-0.15,f=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= -1.59! X(o=-1.6!,f=-1.9) USER MOD Single : A 24 HIS :FLIP no HE2:sc= -1.67 F(o=-2.6!,f=-1.7) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 TYR OH : rot 167:sc= 0 USER MOD Single : A 32 TYR OH : rot 77:sc= 1.21 USER MOD Single : A 38 HIS :FLIP no HE2:sc= -0.117 F(o=-0.77,f=-0.12) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 TYR OH : rot 168:sc= -3.79! USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 162:sc= -0.0282 (180deg=-0.146) USER MOD Single : A 68 THR OG1 : rot 96:sc= 1.35 USER MOD Single : A 71 SER OG : rot 180:sc= 0.109 USER MOD Single : A 75 GLN : amide:sc=-0.00317 K(o=-0.0032,f=-1!) USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 TYR OH : rot -142:sc= 0.641 USER MOD Single : A 82 TYR OH : rot 180:sc= -0.921! USER MOD Single : A 84 THR OG1 : rot -14:sc= -1.01 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 ASN : amide:sc= -0.383 K(o=-0.38,f=-1.1) USER MOD Single : A 93 THR OG1 : rot 43:sc= -0.0918! USER MOD Single : A 95 SER OG : rot 62:sc= 0.3 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 TYR OH : rot 120:sc= -8.1! USER MOD Single : A 100 THR OG1 : rot 180:sc= 0.00751 USER MOD Single : A 110 ASN : amide:sc= 0.161 X(o=0.16,f=0) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 THR OG1 : rot 160:sc= -1.05 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 -6.491 11.319 17.243 1.00 7.08 N ATOM 2 CA ASP A 1 -6.213 11.066 15.799 1.00 6.65 C ATOM 3 C ASP A 1 -5.441 9.754 15.632 1.00 5.96 C ATOM 4 O ASP A 1 -4.777 9.538 14.638 1.00 6.16 O ATOM 5 CB ASP A 1 -5.360 12.250 15.347 1.00 7.15 C ATOM 6 CG ASP A 1 -4.110 12.343 16.225 1.00 7.15 C ATOM 7 OD1 ASP A 1 -4.228 12.832 17.337 1.00 7.22 O ATOM 8 OD2 ASP A 1 -3.059 11.923 15.772 1.00 7.37 O ATOM 0 H1 ASP A 1 -6.829 12.295 17.366 1.00 7.08 H new ATOM 0 H2 ASP A 1 -7.219 10.656 17.578 1.00 7.08 H new ATOM 0 H3 ASP A 1 -5.619 11.183 17.793 1.00 7.08 H new ATOM 0 HA ASP A 1 -7.127 10.974 15.212 1.00 6.65 H new ATOM 0 HB2 ASP A 1 -5.075 12.129 14.302 1.00 7.15 H new ATOM 0 HB3 ASP A 1 -5.935 13.173 15.416 1.00 7.15 H new ATOM 15 N ALA A 2 -5.524 8.877 16.595 1.00 5.41 N ATOM 16 CA ALA A 2 -4.795 7.580 16.489 1.00 4.78 C ATOM 17 C ALA A 2 -5.170 6.866 15.182 1.00 3.77 C ATOM 18 O ALA A 2 -6.276 6.384 15.044 1.00 3.42 O ATOM 19 CB ALA A 2 -5.262 6.765 17.695 1.00 5.00 C ATOM 0 H ALA A 2 -6.065 9.002 17.451 1.00 5.41 H new ATOM 0 HA ALA A 2 -3.713 7.714 16.480 1.00 4.78 H new ATOM 0 HB1 ALA A 2 -4.769 5.793 17.690 1.00 5.00 H new ATOM 0 HB2 ALA A 2 -5.008 7.295 18.613 1.00 5.00 H new ATOM 0 HB3 ALA A 2 -6.342 6.625 17.643 1.00 5.00 H new ATOM 25 N PRO A 3 -4.237 6.816 14.259 1.00 3.56 N ATOM 26 CA PRO A 3 -4.501 6.149 12.962 1.00 2.78 C ATOM 27 C PRO A 3 -4.475 4.626 13.132 1.00 2.04 C ATOM 28 O PRO A 3 -3.788 4.100 13.984 1.00 2.31 O ATOM 29 CB PRO A 3 -3.351 6.614 12.075 1.00 3.38 C ATOM 30 CG PRO A 3 -2.243 6.960 13.022 1.00 4.09 C ATOM 31 CD PRO A 3 -2.875 7.366 14.329 1.00 4.30 C ATOM 0 HA PRO A 3 -5.478 6.395 12.546 1.00 2.78 H new ATOM 0 HB2 PRO A 3 -3.046 5.830 11.381 1.00 3.38 H new ATOM 0 HB3 PRO A 3 -3.640 7.477 11.475 1.00 3.38 H new ATOM 0 HG2 PRO A 3 -1.580 6.106 13.165 1.00 4.09 H new ATOM 0 HG3 PRO A 3 -1.635 7.771 12.621 1.00 4.09 H new ATOM 0 HD2 PRO A 3 -2.326 6.962 15.179 1.00 4.30 H new ATOM 0 HD3 PRO A 3 -2.889 8.450 14.445 1.00 4.30 H new ATOM 39 N GLU A 4 -5.218 3.916 12.329 1.00 1.37 N ATOM 40 CA GLU A 4 -5.235 2.429 12.448 1.00 1.14 C ATOM 41 C GLU A 4 -3.993 1.827 11.782 1.00 0.89 C ATOM 42 O GLU A 4 -3.618 2.204 10.690 1.00 1.30 O ATOM 43 CB GLU A 4 -6.505 1.986 11.722 1.00 1.67 C ATOM 44 CG GLU A 4 -7.289 1.019 12.612 1.00 2.39 C ATOM 45 CD GLU A 4 -6.687 1.015 14.019 1.00 2.65 C ATOM 46 OE1 GLU A 4 -7.032 1.895 14.792 1.00 3.09 O ATOM 47 OE2 GLU A 4 -5.892 0.133 14.299 1.00 3.05 O ATOM 0 H GLU A 4 -5.814 4.300 11.596 1.00 1.37 H new ATOM 0 HA GLU A 4 -5.225 2.099 13.487 1.00 1.14 H new ATOM 0 HB2 GLU A 4 -7.119 2.853 11.479 1.00 1.67 H new ATOM 0 HB3 GLU A 4 -6.248 1.503 10.779 1.00 1.67 H new ATOM 0 HG2 GLU A 4 -8.337 1.316 12.655 1.00 2.39 H new ATOM 0 HG3 GLU A 4 -7.259 0.015 12.190 1.00 2.39 H new ATOM 54 N GLU A 5 -3.358 0.893 12.435 1.00 1.00 N ATOM 55 CA GLU A 5 -2.141 0.261 11.847 1.00 0.81 C ATOM 56 C GLU A 5 -1.999 -1.173 12.362 1.00 0.87 C ATOM 57 O GLU A 5 -2.164 -1.439 13.536 1.00 1.15 O ATOM 58 CB GLU A 5 -0.976 1.123 12.337 1.00 0.95 C ATOM 59 CG GLU A 5 -0.933 1.094 13.867 1.00 1.46 C ATOM 60 CD GLU A 5 0.110 2.094 14.367 1.00 1.82 C ATOM 61 OE1 GLU A 5 1.288 1.825 14.200 1.00 2.50 O ATOM 62 OE2 GLU A 5 -0.286 3.112 14.911 1.00 2.19 O ATOM 0 H GLU A 5 -3.629 0.539 13.352 1.00 1.00 H new ATOM 0 HA GLU A 5 -2.181 0.209 10.759 1.00 0.81 H new ATOM 0 HB2 GLU A 5 -0.036 0.751 11.928 1.00 0.95 H new ATOM 0 HB3 GLU A 5 -1.093 2.148 11.984 1.00 0.95 H new ATOM 0 HG2 GLU A 5 -1.914 1.341 14.274 1.00 1.46 H new ATOM 0 HG3 GLU A 5 -0.687 0.091 14.216 1.00 1.46 H new ATOM 69 N GLU A 6 -1.704 -2.105 11.496 1.00 0.79 N ATOM 70 CA GLU A 6 -1.563 -3.515 11.948 1.00 1.04 C ATOM 71 C GLU A 6 -0.084 -3.878 12.153 1.00 1.10 C ATOM 72 O GLU A 6 0.722 -3.048 12.525 1.00 1.76 O ATOM 73 CB GLU A 6 -2.202 -4.352 10.834 1.00 1.28 C ATOM 74 CG GLU A 6 -1.341 -4.305 9.570 1.00 1.68 C ATOM 75 CD GLU A 6 -2.090 -4.977 8.417 1.00 1.97 C ATOM 76 OE1 GLU A 6 -2.974 -5.771 8.694 1.00 2.24 O ATOM 77 OE2 GLU A 6 -1.768 -4.685 7.277 1.00 2.63 O ATOM 0 H GLU A 6 -1.555 -1.950 10.499 1.00 0.79 H new ATOM 0 HA GLU A 6 -2.046 -3.693 12.909 1.00 1.04 H new ATOM 0 HB2 GLU A 6 -2.316 -5.384 11.166 1.00 1.28 H new ATOM 0 HB3 GLU A 6 -3.201 -3.975 10.615 1.00 1.28 H new ATOM 0 HG2 GLU A 6 -1.109 -3.271 9.314 1.00 1.68 H new ATOM 0 HG3 GLU A 6 -0.392 -4.811 9.745 1.00 1.68 H new ATOM 84 N ASP A 7 0.269 -5.115 11.931 1.00 1.27 N ATOM 85 CA ASP A 7 1.687 -5.547 12.131 1.00 1.35 C ATOM 86 C ASP A 7 2.665 -4.650 11.362 1.00 1.28 C ATOM 87 O ASP A 7 2.849 -4.797 10.171 1.00 2.01 O ATOM 88 CB ASP A 7 1.740 -6.975 11.590 1.00 1.53 C ATOM 89 CG ASP A 7 1.796 -7.961 12.759 1.00 1.92 C ATOM 90 OD1 ASP A 7 2.593 -7.740 13.657 1.00 2.57 O ATOM 91 OD2 ASP A 7 1.041 -8.918 12.737 1.00 2.36 O ATOM 0 H ASP A 7 -0.365 -5.850 11.618 1.00 1.27 H new ATOM 0 HA ASP A 7 1.979 -5.482 13.179 1.00 1.35 H new ATOM 0 HB2 ASP A 7 0.864 -7.175 10.974 1.00 1.53 H new ATOM 0 HB3 ASP A 7 2.614 -7.101 10.951 1.00 1.53 H new ATOM 96 N HIS A 8 3.307 -3.738 12.048 1.00 1.21 N ATOM 97 CA HIS A 8 4.300 -2.831 11.386 1.00 1.11 C ATOM 98 C HIS A 8 3.770 -2.304 10.047 1.00 0.81 C ATOM 99 O HIS A 8 4.526 -1.984 9.151 1.00 0.87 O ATOM 100 CB HIS A 8 5.536 -3.703 11.164 1.00 1.32 C ATOM 101 CG HIS A 8 6.062 -4.171 12.493 1.00 1.61 C ATOM 102 ND1 HIS A 8 6.931 -5.245 12.607 1.00 2.30 N ATOM 103 CD2 HIS A 8 5.853 -3.721 13.774 1.00 2.02 C ATOM 104 CE1 HIS A 8 7.210 -5.404 13.913 1.00 2.53 C ATOM 105 NE2 HIS A 8 6.579 -4.502 14.668 1.00 2.33 N ATOM 0 H HIS A 8 3.186 -3.580 13.048 1.00 1.21 H new ATOM 0 HA HIS A 8 4.511 -1.952 11.995 1.00 1.11 H new ATOM 0 HB2 HIS A 8 5.283 -4.559 10.539 1.00 1.32 H new ATOM 0 HB3 HIS A 8 6.303 -3.138 10.635 1.00 1.32 H new ATOM 0 HD2 HIS A 8 5.222 -2.888 14.046 1.00 2.02 H new ATOM 0 HE1 HIS A 8 7.865 -6.169 14.304 1.00 2.53 H new ATOM 0 HE2 HIS A 8 6.620 -4.406 15.683 1.00 2.33 H new ATOM 113 N VAL A 9 2.478 -2.209 9.906 1.00 0.69 N ATOM 114 CA VAL A 9 1.899 -1.700 8.630 1.00 0.49 C ATOM 115 C VAL A 9 0.806 -0.677 8.948 1.00 0.41 C ATOM 116 O VAL A 9 0.431 -0.501 10.090 1.00 0.54 O ATOM 117 CB VAL A 9 1.328 -2.946 7.948 1.00 0.68 C ATOM 118 CG1 VAL A 9 0.461 -2.546 6.754 1.00 0.88 C ATOM 119 CG2 VAL A 9 2.478 -3.828 7.457 1.00 0.89 C ATOM 0 H VAL A 9 1.796 -2.462 10.620 1.00 0.69 H new ATOM 0 HA VAL A 9 2.623 -1.196 7.990 1.00 0.49 H new ATOM 0 HB VAL A 9 0.718 -3.493 8.667 1.00 0.68 H new ATOM 0 HG11 VAL A 9 0.061 -3.442 6.278 1.00 0.88 H new ATOM 0 HG12 VAL A 9 -0.362 -1.919 7.096 1.00 0.88 H new ATOM 0 HG13 VAL A 9 1.065 -1.992 6.035 1.00 0.88 H new ATOM 0 HG21 VAL A 9 2.074 -4.716 6.971 1.00 0.89 H new ATOM 0 HG22 VAL A 9 3.086 -3.270 6.745 1.00 0.89 H new ATOM 0 HG23 VAL A 9 3.094 -4.127 8.305 1.00 0.89 H new ATOM 129 N LEU A 10 0.303 0.015 7.961 1.00 0.41 N ATOM 130 CA LEU A 10 -0.747 1.031 8.249 1.00 0.54 C ATOM 131 C LEU A 10 -2.081 0.660 7.614 1.00 0.42 C ATOM 132 O LEU A 10 -2.260 -0.398 7.043 1.00 0.59 O ATOM 133 CB LEU A 10 -0.228 2.330 7.635 1.00 0.83 C ATOM 134 CG LEU A 10 0.077 3.345 8.741 1.00 0.96 C ATOM 135 CD1 LEU A 10 -1.219 3.704 9.468 1.00 1.30 C ATOM 136 CD2 LEU A 10 1.076 2.744 9.734 1.00 1.49 C ATOM 0 H LEU A 10 0.570 -0.078 6.981 1.00 0.41 H new ATOM 0 HA LEU A 10 -0.926 1.111 9.321 1.00 0.54 H new ATOM 0 HB2 LEU A 10 0.672 2.133 7.052 1.00 0.83 H new ATOM 0 HB3 LEU A 10 -0.969 2.739 6.948 1.00 0.83 H new ATOM 0 HG LEU A 10 0.509 4.244 8.301 1.00 0.96 H new ATOM 0 HD11 LEU A 10 -1.006 4.426 10.256 1.00 1.30 H new ATOM 0 HD12 LEU A 10 -1.925 4.137 8.760 1.00 1.30 H new ATOM 0 HD13 LEU A 10 -1.651 2.805 9.907 1.00 1.30 H new ATOM 0 HD21 LEU A 10 1.290 3.469 10.519 1.00 1.49 H new ATOM 0 HD22 LEU A 10 0.651 1.844 10.178 1.00 1.49 H new ATOM 0 HD23 LEU A 10 1.999 2.490 9.213 1.00 1.49 H new ATOM 148 N VAL A 11 -3.007 1.560 7.715 1.00 0.54 N ATOM 149 CA VAL A 11 -4.364 1.353 7.137 1.00 0.46 C ATOM 150 C VAL A 11 -4.934 2.714 6.738 1.00 0.43 C ATOM 151 O VAL A 11 -4.637 3.717 7.357 1.00 0.54 O ATOM 152 CB VAL A 11 -5.193 0.727 8.258 1.00 0.61 C ATOM 153 CG1 VAL A 11 -6.609 0.445 7.750 1.00 1.04 C ATOM 154 CG2 VAL A 11 -4.542 -0.583 8.705 1.00 1.39 C ATOM 0 H VAL A 11 -2.881 2.456 8.186 1.00 0.54 H new ATOM 0 HA VAL A 11 -4.360 0.716 6.253 1.00 0.46 H new ATOM 0 HB VAL A 11 -5.240 1.416 9.102 1.00 0.61 H new ATOM 0 HG11 VAL A 11 -7.200 -0.001 8.550 1.00 1.04 H new ATOM 0 HG12 VAL A 11 -7.074 1.378 7.432 1.00 1.04 H new ATOM 0 HG13 VAL A 11 -6.562 -0.243 6.906 1.00 1.04 H new ATOM 0 HG21 VAL A 11 -5.134 -1.029 9.504 1.00 1.39 H new ATOM 0 HG22 VAL A 11 -4.494 -1.272 7.862 1.00 1.39 H new ATOM 0 HG23 VAL A 11 -3.534 -0.383 9.068 1.00 1.39 H new ATOM 164 N LEU A 12 -5.733 2.773 5.710 1.00 0.40 N ATOM 165 CA LEU A 12 -6.285 4.094 5.296 1.00 0.45 C ATOM 166 C LEU A 12 -7.802 4.026 5.120 1.00 0.44 C ATOM 167 O LEU A 12 -8.402 2.971 5.173 1.00 0.58 O ATOM 168 CB LEU A 12 -5.605 4.404 3.963 1.00 0.63 C ATOM 169 CG LEU A 12 -4.088 4.424 4.161 1.00 0.76 C ATOM 170 CD1 LEU A 12 -3.396 4.551 2.801 1.00 1.16 C ATOM 171 CD2 LEU A 12 -3.705 5.617 5.040 1.00 0.82 C ATOM 0 H LEU A 12 -6.025 1.976 5.145 1.00 0.40 H new ATOM 0 HA LEU A 12 -6.098 4.863 6.046 1.00 0.45 H new ATOM 0 HB2 LEU A 12 -5.876 3.654 3.220 1.00 0.63 H new ATOM 0 HB3 LEU A 12 -5.946 5.367 3.583 1.00 0.63 H new ATOM 0 HG LEU A 12 -3.773 3.499 4.644 1.00 0.76 H new ATOM 0 HD11 LEU A 12 -2.315 4.565 2.943 1.00 1.16 H new ATOM 0 HD12 LEU A 12 -3.669 3.703 2.173 1.00 1.16 H new ATOM 0 HD13 LEU A 12 -3.711 5.476 2.318 1.00 1.16 H new ATOM 0 HD21 LEU A 12 -2.624 5.632 5.182 1.00 0.82 H new ATOM 0 HD22 LEU A 12 -4.021 6.541 4.556 1.00 0.82 H new ATOM 0 HD23 LEU A 12 -4.197 5.528 6.009 1.00 0.82 H new ATOM 183 N ARG A 13 -8.422 5.153 4.904 1.00 0.47 N ATOM 184 CA ARG A 13 -9.898 5.172 4.713 1.00 0.55 C ATOM 185 C ARG A 13 -10.331 6.503 4.082 1.00 0.54 C ATOM 186 O ARG A 13 -9.615 7.085 3.293 1.00 0.73 O ATOM 187 CB ARG A 13 -10.499 4.981 6.115 1.00 0.69 C ATOM 188 CG ARG A 13 -10.279 6.230 6.970 1.00 1.19 C ATOM 189 CD ARG A 13 -10.360 5.856 8.450 1.00 1.28 C ATOM 190 NE ARG A 13 -11.576 6.554 8.954 1.00 1.86 N ATOM 191 CZ ARG A 13 -12.510 5.878 9.566 1.00 2.30 C ATOM 192 NH1 ARG A 13 -13.360 5.168 8.875 1.00 2.84 N ATOM 193 NH2 ARG A 13 -12.592 5.910 10.868 1.00 2.68 N ATOM 0 H ARG A 13 -7.967 6.065 4.852 1.00 0.47 H new ATOM 0 HA ARG A 13 -10.240 4.388 4.037 1.00 0.55 H new ATOM 0 HB2 ARG A 13 -11.566 4.773 6.034 1.00 0.69 H new ATOM 0 HB3 ARG A 13 -10.041 4.118 6.598 1.00 0.69 H new ATOM 0 HG2 ARG A 13 -9.306 6.669 6.748 1.00 1.19 H new ATOM 0 HG3 ARG A 13 -11.030 6.983 6.733 1.00 1.19 H new ATOM 0 HD2 ARG A 13 -10.441 4.777 8.581 1.00 1.28 H new ATOM 0 HD3 ARG A 13 -9.468 6.177 8.988 1.00 1.28 H new ATOM 0 HE ARG A 13 -11.679 7.560 8.821 1.00 1.86 H new ATOM 0 HH11 ARG A 13 -13.294 5.142 7.857 1.00 2.84 H new ATOM 0 HH12 ARG A 13 -14.090 4.640 9.353 1.00 2.84 H new ATOM 0 HH21 ARG A 13 -11.926 6.463 11.407 1.00 2.68 H new ATOM 0 HH22 ARG A 13 -13.322 5.382 11.346 1.00 2.68 H new ATOM 207 N LYS A 14 -11.500 6.979 4.406 1.00 0.58 N ATOM 208 CA LYS A 14 -11.987 8.258 3.803 1.00 0.63 C ATOM 209 C LYS A 14 -11.197 9.472 4.311 1.00 0.65 C ATOM 210 O LYS A 14 -11.310 10.556 3.776 1.00 0.83 O ATOM 211 CB LYS A 14 -13.443 8.363 4.247 1.00 0.74 C ATOM 212 CG LYS A 14 -14.359 8.217 3.031 1.00 1.26 C ATOM 213 CD LYS A 14 -14.669 9.600 2.457 1.00 1.92 C ATOM 214 CE LYS A 14 -15.763 10.263 3.296 1.00 2.26 C ATOM 215 NZ LYS A 14 -16.487 11.155 2.348 1.00 2.80 N ATOM 0 H LYS A 14 -12.143 6.539 5.064 1.00 0.58 H new ATOM 0 HA LYS A 14 -11.867 8.253 2.720 1.00 0.63 H new ATOM 0 HB2 LYS A 14 -13.668 7.588 4.980 1.00 0.74 H new ATOM 0 HB3 LYS A 14 -13.618 9.322 4.734 1.00 0.74 H new ATOM 0 HG2 LYS A 14 -13.880 7.596 2.274 1.00 1.26 H new ATOM 0 HG3 LYS A 14 -15.283 7.715 3.317 1.00 1.26 H new ATOM 0 HD2 LYS A 14 -13.770 10.217 2.458 1.00 1.92 H new ATOM 0 HD3 LYS A 14 -14.993 9.512 1.420 1.00 1.92 H new ATOM 0 HE2 LYS A 14 -16.433 9.520 3.729 1.00 2.26 H new ATOM 0 HE3 LYS A 14 -15.337 10.829 4.124 1.00 2.26 H new ATOM 0 HZ1 LYS A 14 -17.254 11.646 2.850 1.00 2.80 H new ATOM 0 HZ2 LYS A 14 -15.826 11.856 1.957 1.00 2.80 H new ATOM 0 HZ3 LYS A 14 -16.888 10.587 1.574 1.00 2.80 H new ATOM 229 N SER A 15 -10.416 9.313 5.342 1.00 0.68 N ATOM 230 CA SER A 15 -9.651 10.482 5.872 1.00 0.88 C ATOM 231 C SER A 15 -8.145 10.201 5.903 1.00 0.81 C ATOM 232 O SER A 15 -7.338 11.097 5.762 1.00 1.05 O ATOM 233 CB SER A 15 -10.183 10.680 7.292 1.00 1.10 C ATOM 234 OG SER A 15 -10.284 12.069 7.569 1.00 1.68 O ATOM 0 H SER A 15 -10.273 8.434 5.839 1.00 0.68 H new ATOM 0 HA SER A 15 -9.781 11.364 5.245 1.00 0.88 H new ATOM 0 HB2 SER A 15 -11.159 10.205 7.396 1.00 1.10 H new ATOM 0 HB3 SER A 15 -9.518 10.202 8.011 1.00 1.10 H new ATOM 0 HG SER A 15 -10.627 12.197 8.478 1.00 1.68 H new ATOM 240 N ASN A 16 -7.755 8.973 6.100 1.00 0.65 N ATOM 241 CA ASN A 16 -6.297 8.659 6.156 1.00 0.68 C ATOM 242 C ASN A 16 -5.700 8.585 4.749 1.00 0.55 C ATOM 243 O ASN A 16 -4.540 8.882 4.544 1.00 0.56 O ATOM 244 CB ASN A 16 -6.205 7.302 6.852 1.00 0.87 C ATOM 245 CG ASN A 16 -6.683 7.437 8.298 1.00 0.91 C ATOM 246 OD1 ASN A 16 -6.596 8.498 8.884 1.00 1.74 O ATOM 247 ND2 ASN A 16 -7.187 6.396 8.905 1.00 0.98 N ATOM 0 H ASN A 16 -8.378 8.175 6.224 1.00 0.65 H new ATOM 0 HA ASN A 16 -5.738 9.429 6.688 1.00 0.68 H new ATOM 0 HB2 ASN A 16 -6.814 6.568 6.324 1.00 0.87 H new ATOM 0 HB3 ASN A 16 -5.177 6.939 6.830 1.00 0.87 H new ATOM 0 HD21 ASN A 16 -7.507 6.474 9.870 1.00 0.98 H new ATOM 0 HD22 ASN A 16 -7.260 5.505 8.414 1.00 0.98 H new ATOM 254 N PHE A 17 -6.475 8.194 3.776 1.00 0.55 N ATOM 255 CA PHE A 17 -5.929 8.109 2.391 1.00 0.51 C ATOM 256 C PHE A 17 -5.412 9.479 1.948 1.00 0.46 C ATOM 257 O PHE A 17 -4.232 9.666 1.725 1.00 0.52 O ATOM 258 CB PHE A 17 -7.102 7.670 1.518 1.00 0.56 C ATOM 259 CG PHE A 17 -6.595 7.369 0.130 1.00 0.62 C ATOM 260 CD1 PHE A 17 -6.178 8.416 -0.701 1.00 0.79 C ATOM 261 CD2 PHE A 17 -6.534 6.048 -0.325 1.00 0.78 C ATOM 262 CE1 PHE A 17 -5.700 8.140 -1.986 1.00 0.90 C ATOM 263 CE2 PHE A 17 -6.055 5.772 -1.611 1.00 0.89 C ATOM 264 CZ PHE A 17 -5.638 6.818 -2.442 1.00 0.87 C ATOM 0 H PHE A 17 -7.455 7.931 3.877 1.00 0.55 H new ATOM 0 HA PHE A 17 -5.094 7.412 2.320 1.00 0.51 H new ATOM 0 HB2 PHE A 17 -7.579 6.787 1.944 1.00 0.56 H new ATOM 0 HB3 PHE A 17 -7.858 8.454 1.481 1.00 0.56 H new ATOM 0 HD1 PHE A 17 -6.225 9.436 -0.350 1.00 0.79 H new ATOM 0 HD2 PHE A 17 -6.856 5.241 0.316 1.00 0.78 H new ATOM 0 HE1 PHE A 17 -5.378 8.948 -2.627 1.00 0.90 H new ATOM 0 HE2 PHE A 17 -6.007 4.752 -1.962 1.00 0.89 H new ATOM 0 HZ PHE A 17 -5.269 6.605 -3.434 1.00 0.87 H new ATOM 274 N ALA A 18 -6.285 10.440 1.826 1.00 0.52 N ATOM 275 CA ALA A 18 -5.839 11.799 1.404 1.00 0.66 C ATOM 276 C ALA A 18 -4.810 12.349 2.397 1.00 0.59 C ATOM 277 O ALA A 18 -4.073 13.266 2.096 1.00 0.75 O ATOM 278 CB ALA A 18 -7.107 12.655 1.412 1.00 0.84 C ATOM 0 H ALA A 18 -7.286 10.345 2.000 1.00 0.52 H new ATOM 0 HA ALA A 18 -5.362 11.791 0.424 1.00 0.66 H new ATOM 0 HB1 ALA A 18 -6.860 13.673 1.111 1.00 0.84 H new ATOM 0 HB2 ALA A 18 -7.833 12.236 0.715 1.00 0.84 H new ATOM 0 HB3 ALA A 18 -7.532 12.666 2.416 1.00 0.84 H new ATOM 284 N GLU A 19 -4.749 11.792 3.578 1.00 0.46 N ATOM 285 CA GLU A 19 -3.767 12.273 4.585 1.00 0.49 C ATOM 286 C GLU A 19 -2.407 11.634 4.323 1.00 0.48 C ATOM 287 O GLU A 19 -1.402 12.305 4.226 1.00 0.56 O ATOM 288 CB GLU A 19 -4.321 11.798 5.926 1.00 0.55 C ATOM 289 CG GLU A 19 -3.539 12.456 7.065 1.00 0.69 C ATOM 290 CD GLU A 19 -4.506 12.882 8.171 1.00 1.04 C ATOM 291 OE1 GLU A 19 -4.883 12.031 8.961 1.00 1.78 O ATOM 292 OE2 GLU A 19 -4.851 14.052 8.212 1.00 1.66 O ATOM 0 H GLU A 19 -5.341 11.021 3.887 1.00 0.46 H new ATOM 0 HA GLU A 19 -3.632 13.354 4.555 1.00 0.49 H new ATOM 0 HB2 GLU A 19 -5.379 12.050 6.004 1.00 0.55 H new ATOM 0 HB3 GLU A 19 -4.246 10.713 5.999 1.00 0.55 H new ATOM 0 HG2 GLU A 19 -2.800 11.760 7.462 1.00 0.69 H new ATOM 0 HG3 GLU A 19 -2.993 13.322 6.692 1.00 0.69 H new ATOM 299 N ALA A 20 -2.377 10.337 4.201 1.00 0.45 N ATOM 300 CA ALA A 20 -1.089 9.639 3.942 1.00 0.53 C ATOM 301 C ALA A 20 -0.419 10.234 2.708 1.00 0.57 C ATOM 302 O ALA A 20 0.716 10.665 2.747 1.00 0.71 O ATOM 303 CB ALA A 20 -1.475 8.180 3.696 1.00 0.57 C ATOM 0 H ALA A 20 -3.193 9.728 4.270 1.00 0.45 H new ATOM 0 HA ALA A 20 -0.385 9.737 4.768 1.00 0.53 H new ATOM 0 HB1 ALA A 20 -0.577 7.595 3.496 1.00 0.57 H new ATOM 0 HB2 ALA A 20 -1.978 7.783 4.578 1.00 0.57 H new ATOM 0 HB3 ALA A 20 -2.145 8.121 2.838 1.00 0.57 H new ATOM 309 N LEU A 21 -1.117 10.259 1.613 1.00 0.55 N ATOM 310 CA LEU A 21 -0.536 10.825 0.365 1.00 0.69 C ATOM 311 C LEU A 21 0.000 12.233 0.626 1.00 0.75 C ATOM 312 O LEU A 21 1.042 12.615 0.131 1.00 0.92 O ATOM 313 CB LEU A 21 -1.705 10.856 -0.618 1.00 0.74 C ATOM 314 CG LEU A 21 -1.650 9.633 -1.544 1.00 0.84 C ATOM 315 CD1 LEU A 21 -1.523 8.345 -0.723 1.00 1.44 C ATOM 316 CD2 LEU A 21 -2.937 9.565 -2.360 1.00 0.90 C ATOM 0 H LEU A 21 -2.071 9.910 1.526 1.00 0.55 H new ATOM 0 HA LEU A 21 0.302 10.241 -0.016 1.00 0.69 H new ATOM 0 HB2 LEU A 21 -2.649 10.866 -0.072 1.00 0.74 H new ATOM 0 HB3 LEU A 21 -1.669 11.771 -1.209 1.00 0.74 H new ATOM 0 HG LEU A 21 -0.785 9.729 -2.200 1.00 0.84 H new ATOM 0 HD11 LEU A 21 -1.485 7.488 -1.395 1.00 1.44 H new ATOM 0 HD12 LEU A 21 -0.610 8.381 -0.129 1.00 1.44 H new ATOM 0 HD13 LEU A 21 -2.383 8.249 -0.061 1.00 1.44 H new ATOM 0 HD21 LEU A 21 -2.904 8.698 -3.020 1.00 0.90 H new ATOM 0 HD22 LEU A 21 -3.790 9.477 -1.687 1.00 0.90 H new ATOM 0 HD23 LEU A 21 -3.038 10.472 -2.957 1.00 0.90 H new ATOM 328 N ALA A 22 -0.700 13.002 1.410 1.00 0.71 N ATOM 329 CA ALA A 22 -0.227 14.382 1.717 1.00 0.85 C ATOM 330 C ALA A 22 0.488 14.402 3.073 1.00 0.89 C ATOM 331 O ALA A 22 0.699 15.446 3.658 1.00 1.08 O ATOM 332 CB ALA A 22 -1.494 15.236 1.766 1.00 1.00 C ATOM 0 H ALA A 22 -1.580 12.736 1.852 1.00 0.71 H new ATOM 0 HA ALA A 22 0.482 14.751 0.976 1.00 0.85 H new ATOM 0 HB1 ALA A 22 -1.228 16.269 1.988 1.00 1.00 H new ATOM 0 HB2 ALA A 22 -2.001 15.191 0.802 1.00 1.00 H new ATOM 0 HB3 ALA A 22 -2.158 14.857 2.543 1.00 1.00 H new ATOM 338 N ALA A 23 0.866 13.256 3.577 1.00 0.86 N ATOM 339 CA ALA A 23 1.568 13.211 4.891 1.00 0.93 C ATOM 340 C ALA A 23 3.021 12.770 4.690 1.00 0.85 C ATOM 341 O ALA A 23 3.915 13.204 5.391 1.00 0.95 O ATOM 342 CB ALA A 23 0.798 12.177 5.715 1.00 1.05 C ATOM 0 H ALA A 23 0.718 12.349 3.134 1.00 0.86 H new ATOM 0 HA ALA A 23 1.595 14.182 5.385 1.00 0.93 H new ATOM 0 HB1 ALA A 23 1.254 12.085 6.701 1.00 1.05 H new ATOM 0 HB2 ALA A 23 -0.238 12.497 5.823 1.00 1.05 H new ATOM 0 HB3 ALA A 23 0.829 11.212 5.209 1.00 1.05 H new ATOM 348 N HIS A 24 3.262 11.914 3.735 1.00 0.83 N ATOM 349 CA HIS A 24 4.657 11.445 3.481 1.00 0.84 C ATOM 350 C HIS A 24 4.945 11.451 1.976 1.00 0.82 C ATOM 351 O HIS A 24 4.331 12.181 1.224 1.00 1.30 O ATOM 352 CB HIS A 24 4.702 10.022 4.042 1.00 0.95 C ATOM 353 CG HIS A 24 4.389 10.056 5.513 1.00 1.22 C ATOM 354 ND1 HIS A 24 4.761 10.922 6.510 1.00 1.80 N flip ATOM 355 CD2 HIS A 24 3.588 9.101 6.121 1.00 1.84 C flip ATOM 356 CE1 HIS A 24 4.202 10.516 7.718 1.00 2.04 C flip ATOM 357 NE2 HIS A 24 3.505 9.414 7.427 1.00 2.00 N flip ATOM 0 H HIS A 24 2.553 11.518 3.118 1.00 0.83 H new ATOM 0 HA HIS A 24 5.406 12.085 3.947 1.00 0.84 H new ATOM 0 HB2 HIS A 24 3.983 9.390 3.520 1.00 0.95 H new ATOM 0 HB3 HIS A 24 5.687 9.586 3.878 1.00 0.95 H new ATOM 0 HD1 HIS A 24 5.357 11.740 6.385 1.00 1.80 H new ATOM 0 HD2 HIS A 24 3.117 8.260 5.635 1.00 1.84 H new ATOM 0 HE1 HIS A 24 4.309 10.990 8.683 1.00 2.04 H new ATOM 365 N LYS A 25 5.874 10.650 1.528 1.00 0.72 N ATOM 366 CA LYS A 25 6.193 10.625 0.069 1.00 0.69 C ATOM 367 C LYS A 25 5.637 9.354 -0.584 1.00 0.59 C ATOM 368 O LYS A 25 4.666 9.396 -1.312 1.00 0.68 O ATOM 369 CB LYS A 25 7.719 10.643 -0.003 1.00 0.81 C ATOM 370 CG LYS A 25 8.160 10.616 -1.468 1.00 1.20 C ATOM 371 CD LYS A 25 8.671 12.000 -1.870 1.00 1.51 C ATOM 372 CE LYS A 25 8.878 12.047 -3.386 1.00 2.06 C ATOM 373 NZ LYS A 25 10.145 12.807 -3.578 1.00 2.47 N ATOM 0 H LYS A 25 6.424 10.014 2.105 1.00 0.72 H new ATOM 0 HA LYS A 25 5.748 11.467 -0.461 1.00 0.69 H new ATOM 0 HB2 LYS A 25 8.107 11.535 0.488 1.00 0.81 H new ATOM 0 HB3 LYS A 25 8.129 9.784 0.527 1.00 0.81 H new ATOM 0 HG2 LYS A 25 8.944 9.872 -1.610 1.00 1.20 H new ATOM 0 HG3 LYS A 25 7.325 10.325 -2.105 1.00 1.20 H new ATOM 0 HD2 LYS A 25 7.957 12.765 -1.566 1.00 1.51 H new ATOM 0 HD3 LYS A 25 9.608 12.216 -1.357 1.00 1.51 H new ATOM 0 HE2 LYS A 25 8.952 11.044 -3.806 1.00 2.06 H new ATOM 0 HE3 LYS A 25 8.043 12.540 -3.883 1.00 2.06 H new ATOM 0 HZ1 LYS A 25 10.355 12.882 -4.594 1.00 2.47 H new ATOM 0 HZ2 LYS A 25 10.043 13.760 -3.175 1.00 2.47 H new ATOM 0 HZ3 LYS A 25 10.924 12.311 -3.099 1.00 2.47 H new ATOM 387 N TYR A 26 6.247 8.226 -0.334 1.00 0.52 N ATOM 388 CA TYR A 26 5.749 6.961 -0.948 1.00 0.48 C ATOM 389 C TYR A 26 4.702 6.313 -0.041 1.00 0.46 C ATOM 390 O TYR A 26 5.023 5.731 0.976 1.00 0.53 O ATOM 391 CB TYR A 26 6.986 6.062 -1.065 1.00 0.56 C ATOM 392 CG TYR A 26 7.841 6.439 -2.261 1.00 0.65 C ATOM 393 CD1 TYR A 26 7.622 7.670 -2.885 1.00 0.75 C ATOM 394 CD2 TYR A 26 8.838 5.577 -2.748 1.00 1.08 C ATOM 395 CE1 TYR A 26 8.393 8.045 -3.991 1.00 0.87 C ATOM 396 CE2 TYR A 26 9.610 5.952 -3.853 1.00 1.31 C ATOM 397 CZ TYR A 26 9.455 7.085 -4.460 1.00 1.08 C ATOM 398 OH TYR A 26 10.148 7.557 -5.566 1.00 1.33 O ATOM 0 H TYR A 26 7.065 8.126 0.266 1.00 0.52 H new ATOM 0 HA TYR A 26 5.274 7.130 -1.915 1.00 0.48 H new ATOM 0 HB2 TYR A 26 7.580 6.139 -0.154 1.00 0.56 H new ATOM 0 HB3 TYR A 26 6.673 5.022 -1.154 1.00 0.56 H new ATOM 0 HD1 TYR A 26 6.856 8.334 -2.513 1.00 0.75 H new ATOM 0 HD2 TYR A 26 9.009 4.624 -2.269 1.00 1.08 H new ATOM 0 HE1 TYR A 26 8.232 8.989 -4.491 1.00 0.87 H new ATOM 0 HE2 TYR A 26 10.365 5.269 -4.214 1.00 1.31 H new ATOM 0 HH TYR A 26 10.954 7.016 -5.702 1.00 1.33 H new ATOM 408 N LEU A 27 3.454 6.409 -0.399 1.00 0.46 N ATOM 409 CA LEU A 27 2.390 5.798 0.446 1.00 0.45 C ATOM 410 C LEU A 27 1.693 4.674 -0.319 1.00 0.40 C ATOM 411 O LEU A 27 0.922 4.915 -1.227 1.00 0.50 O ATOM 412 CB LEU A 27 1.402 6.930 0.735 1.00 0.51 C ATOM 413 CG LEU A 27 1.947 7.839 1.842 1.00 0.77 C ATOM 414 CD1 LEU A 27 2.261 7.014 3.092 1.00 0.66 C ATOM 415 CD2 LEU A 27 3.213 8.542 1.353 1.00 1.93 C ATOM 0 H LEU A 27 3.123 6.883 -1.239 1.00 0.46 H new ATOM 0 HA LEU A 27 2.794 5.366 1.362 1.00 0.45 H new ATOM 0 HB2 LEU A 27 1.229 7.511 -0.171 1.00 0.51 H new ATOM 0 HB3 LEU A 27 0.440 6.515 1.036 1.00 0.51 H new ATOM 0 HG LEU A 27 1.194 8.586 2.092 1.00 0.77 H new ATOM 0 HD11 LEU A 27 2.648 7.669 3.873 1.00 0.66 H new ATOM 0 HD12 LEU A 27 1.352 6.527 3.444 1.00 0.66 H new ATOM 0 HD13 LEU A 27 3.008 6.257 2.851 1.00 0.66 H new ATOM 0 HD21 LEU A 27 3.598 9.188 2.142 1.00 1.93 H new ATOM 0 HD22 LEU A 27 3.966 7.797 1.093 1.00 1.93 H new ATOM 0 HD23 LEU A 27 2.979 9.143 0.474 1.00 1.93 H new ATOM 427 N LEU A 28 1.955 3.451 0.040 1.00 0.33 N ATOM 428 CA LEU A 28 1.299 2.321 -0.673 1.00 0.32 C ATOM 429 C LEU A 28 -0.072 2.034 -0.061 1.00 0.29 C ATOM 430 O LEU A 28 -0.228 1.984 1.143 1.00 0.35 O ATOM 431 CB LEU A 28 2.231 1.130 -0.475 1.00 0.40 C ATOM 432 CG LEU A 28 1.924 0.069 -1.529 1.00 0.53 C ATOM 433 CD1 LEU A 28 2.405 0.560 -2.894 1.00 0.73 C ATOM 434 CD2 LEU A 28 2.642 -1.230 -1.163 1.00 1.12 C ATOM 0 H LEU A 28 2.591 3.185 0.792 1.00 0.33 H new ATOM 0 HA LEU A 28 1.137 2.540 -1.728 1.00 0.32 H new ATOM 0 HB2 LEU A 28 3.270 1.449 -0.556 1.00 0.40 H new ATOM 0 HB3 LEU A 28 2.102 0.715 0.524 1.00 0.40 H new ATOM 0 HG LEU A 28 0.850 -0.112 -1.569 1.00 0.53 H new ATOM 0 HD11 LEU A 28 2.188 -0.195 -3.650 1.00 0.73 H new ATOM 0 HD12 LEU A 28 1.891 1.487 -3.149 1.00 0.73 H new ATOM 0 HD13 LEU A 28 3.480 0.739 -2.858 1.00 0.73 H new ATOM 0 HD21 LEU A 28 2.425 -1.990 -1.914 1.00 1.12 H new ATOM 0 HD22 LEU A 28 3.717 -1.054 -1.126 1.00 1.12 H new ATOM 0 HD23 LEU A 28 2.297 -1.574 -0.188 1.00 1.12 H new ATOM 446 N VAL A 29 -1.067 1.843 -0.880 1.00 0.32 N ATOM 447 CA VAL A 29 -2.428 1.556 -0.344 1.00 0.32 C ATOM 448 C VAL A 29 -3.041 0.374 -1.098 1.00 0.34 C ATOM 449 O VAL A 29 -3.156 0.389 -2.307 1.00 0.47 O ATOM 450 CB VAL A 29 -3.239 2.832 -0.590 1.00 0.40 C ATOM 451 CG1 VAL A 29 -4.589 2.712 0.115 1.00 0.37 C ATOM 452 CG2 VAL A 29 -2.487 4.044 -0.034 1.00 0.77 C ATOM 0 H VAL A 29 -0.998 1.873 -1.897 1.00 0.32 H new ATOM 0 HA VAL A 29 -2.410 1.292 0.713 1.00 0.32 H new ATOM 0 HB VAL A 29 -3.388 2.962 -1.662 1.00 0.40 H new ATOM 0 HG11 VAL A 29 -5.171 3.618 -0.057 1.00 0.37 H new ATOM 0 HG12 VAL A 29 -5.131 1.852 -0.280 1.00 0.37 H new ATOM 0 HG13 VAL A 29 -4.430 2.580 1.185 1.00 0.37 H new ATOM 0 HG21 VAL A 29 -3.070 4.947 -0.213 1.00 0.77 H new ATOM 0 HG22 VAL A 29 -2.334 3.917 1.038 1.00 0.77 H new ATOM 0 HG23 VAL A 29 -1.521 4.132 -0.531 1.00 0.77 H new ATOM 462 N GLU A 30 -3.428 -0.655 -0.395 1.00 0.32 N ATOM 463 CA GLU A 30 -4.024 -1.837 -1.078 1.00 0.39 C ATOM 464 C GLU A 30 -5.487 -2.009 -0.663 1.00 0.36 C ATOM 465 O GLU A 30 -5.814 -2.032 0.507 1.00 0.42 O ATOM 466 CB GLU A 30 -3.189 -3.027 -0.603 1.00 0.52 C ATOM 467 CG GLU A 30 -3.781 -4.322 -1.162 1.00 0.64 C ATOM 468 CD GLU A 30 -2.902 -5.505 -0.749 1.00 0.89 C ATOM 469 OE1 GLU A 30 -1.752 -5.274 -0.413 1.00 1.60 O ATOM 470 OE2 GLU A 30 -3.394 -6.621 -0.776 1.00 1.48 O ATOM 0 H GLU A 30 -3.357 -0.728 0.620 1.00 0.32 H new ATOM 0 HA GLU A 30 -4.014 -1.736 -2.163 1.00 0.39 H new ATOM 0 HB2 GLU A 30 -2.156 -2.915 -0.933 1.00 0.52 H new ATOM 0 HB3 GLU A 30 -3.174 -3.062 0.486 1.00 0.52 H new ATOM 0 HG2 GLU A 30 -4.796 -4.461 -0.789 1.00 0.64 H new ATOM 0 HG3 GLU A 30 -3.846 -4.265 -2.249 1.00 0.64 H new ATOM 477 N PHE A 31 -6.369 -2.134 -1.616 1.00 0.35 N ATOM 478 CA PHE A 31 -7.809 -2.310 -1.283 1.00 0.36 C ATOM 479 C PHE A 31 -8.165 -3.798 -1.282 1.00 0.39 C ATOM 480 O PHE A 31 -8.170 -4.443 -2.310 1.00 0.49 O ATOM 481 CB PHE A 31 -8.555 -1.580 -2.397 1.00 0.41 C ATOM 482 CG PHE A 31 -8.309 -0.096 -2.280 1.00 0.38 C ATOM 483 CD1 PHE A 31 -7.094 0.448 -2.713 1.00 0.45 C ATOM 484 CD2 PHE A 31 -9.296 0.738 -1.741 1.00 0.53 C ATOM 485 CE1 PHE A 31 -6.865 1.826 -2.607 1.00 0.52 C ATOM 486 CE2 PHE A 31 -9.068 2.115 -1.635 1.00 0.59 C ATOM 487 CZ PHE A 31 -7.853 2.659 -2.067 1.00 0.53 C ATOM 0 H PHE A 31 -6.153 -2.122 -2.613 1.00 0.35 H new ATOM 0 HA PHE A 31 -8.064 -1.921 -0.297 1.00 0.36 H new ATOM 0 HB2 PHE A 31 -8.219 -1.939 -3.370 1.00 0.41 H new ATOM 0 HB3 PHE A 31 -9.623 -1.789 -2.331 1.00 0.41 H new ATOM 0 HD1 PHE A 31 -6.333 -0.195 -3.129 1.00 0.45 H new ATOM 0 HD2 PHE A 31 -10.234 0.319 -1.407 1.00 0.53 H new ATOM 0 HE1 PHE A 31 -5.928 2.246 -2.941 1.00 0.52 H new ATOM 0 HE2 PHE A 31 -9.830 2.758 -1.220 1.00 0.59 H new ATOM 0 HZ PHE A 31 -7.677 3.721 -1.984 1.00 0.53 H new ATOM 497 N TYR A 32 -8.456 -4.352 -0.137 1.00 0.37 N ATOM 498 CA TYR A 32 -8.802 -5.800 -0.086 1.00 0.44 C ATOM 499 C TYR A 32 -10.097 -6.019 0.708 1.00 0.40 C ATOM 500 O TYR A 32 -10.614 -5.116 1.333 1.00 0.45 O ATOM 501 CB TYR A 32 -7.601 -6.470 0.602 1.00 0.54 C ATOM 502 CG TYR A 32 -7.596 -6.152 2.082 1.00 0.54 C ATOM 503 CD1 TYR A 32 -7.111 -4.917 2.525 1.00 0.58 C ATOM 504 CD2 TYR A 32 -8.068 -7.092 3.006 1.00 0.66 C ATOM 505 CE1 TYR A 32 -7.098 -4.619 3.890 1.00 0.67 C ATOM 506 CE2 TYR A 32 -8.055 -6.793 4.374 1.00 0.79 C ATOM 507 CZ TYR A 32 -7.605 -5.572 4.820 1.00 0.77 C ATOM 508 OH TYR A 32 -7.559 -5.263 6.165 1.00 0.94 O ATOM 0 H TYR A 32 -8.469 -3.868 0.761 1.00 0.37 H new ATOM 0 HA TYR A 32 -8.982 -6.219 -1.076 1.00 0.44 H new ATOM 0 HB2 TYR A 32 -7.645 -7.549 0.456 1.00 0.54 H new ATOM 0 HB3 TYR A 32 -6.673 -6.124 0.146 1.00 0.54 H new ATOM 0 HD1 TYR A 32 -6.746 -4.193 1.811 1.00 0.58 H new ATOM 0 HD2 TYR A 32 -8.441 -8.046 2.664 1.00 0.66 H new ATOM 0 HE1 TYR A 32 -6.707 -3.674 4.237 1.00 0.67 H new ATOM 0 HE2 TYR A 32 -8.402 -7.528 5.086 1.00 0.79 H new ATOM 0 HH TYR A 32 -8.278 -4.632 6.381 1.00 0.94 H new ATOM 518 N ALA A 33 -10.616 -7.215 0.694 1.00 0.40 N ATOM 519 CA ALA A 33 -11.868 -7.492 1.452 1.00 0.44 C ATOM 520 C ALA A 33 -11.733 -8.810 2.229 1.00 0.53 C ATOM 521 O ALA A 33 -10.874 -9.615 1.927 1.00 0.56 O ATOM 522 CB ALA A 33 -12.958 -7.614 0.387 1.00 0.49 C ATOM 0 H ALA A 33 -10.227 -8.013 0.191 1.00 0.40 H new ATOM 0 HA ALA A 33 -12.092 -6.711 2.179 1.00 0.44 H new ATOM 0 HB1 ALA A 33 -13.915 -7.819 0.867 1.00 0.49 H new ATOM 0 HB2 ALA A 33 -13.025 -6.681 -0.173 1.00 0.49 H new ATOM 0 HB3 ALA A 33 -12.712 -8.429 -0.294 1.00 0.49 H new ATOM 528 N PRO A 34 -12.590 -8.994 3.204 1.00 0.63 N ATOM 529 CA PRO A 34 -12.559 -10.237 4.017 1.00 0.78 C ATOM 530 C PRO A 34 -12.993 -11.443 3.174 1.00 0.82 C ATOM 531 O PRO A 34 -12.773 -12.580 3.543 1.00 0.96 O ATOM 532 CB PRO A 34 -13.558 -9.961 5.137 1.00 0.90 C ATOM 533 CG PRO A 34 -14.483 -8.930 4.573 1.00 0.81 C ATOM 534 CD PRO A 34 -13.665 -8.087 3.634 1.00 0.66 C ATOM 0 HA PRO A 34 -11.565 -10.477 4.393 1.00 0.78 H new ATOM 0 HB2 PRO A 34 -14.097 -10.865 5.419 1.00 0.90 H new ATOM 0 HB3 PRO A 34 -13.057 -9.596 6.034 1.00 0.90 H new ATOM 0 HG2 PRO A 34 -15.314 -9.401 4.047 1.00 0.81 H new ATOM 0 HG3 PRO A 34 -14.913 -8.320 5.367 1.00 0.81 H new ATOM 0 HD2 PRO A 34 -14.258 -7.738 2.788 1.00 0.66 H new ATOM 0 HD3 PRO A 34 -13.268 -7.202 4.132 1.00 0.66 H new ATOM 542 N TRP A 35 -13.599 -11.205 2.042 1.00 0.74 N ATOM 543 CA TRP A 35 -14.035 -12.342 1.174 1.00 0.83 C ATOM 544 C TRP A 35 -13.161 -12.428 -0.085 1.00 0.78 C ATOM 545 O TRP A 35 -13.386 -13.253 -0.949 1.00 0.92 O ATOM 546 CB TRP A 35 -15.502 -12.063 0.800 1.00 0.91 C ATOM 547 CG TRP A 35 -15.685 -10.640 0.358 1.00 0.87 C ATOM 548 CD1 TRP A 35 -14.901 -9.985 -0.532 1.00 0.84 C ATOM 549 CD2 TRP A 35 -16.710 -9.690 0.774 1.00 1.25 C ATOM 550 NE1 TRP A 35 -15.380 -8.695 -0.684 1.00 0.85 N ATOM 551 CE2 TRP A 35 -16.493 -8.466 0.099 1.00 1.19 C ATOM 552 CE3 TRP A 35 -17.796 -9.772 1.664 1.00 1.84 C ATOM 553 CZ2 TRP A 35 -17.322 -7.363 0.300 1.00 1.66 C ATOM 554 CZ3 TRP A 35 -18.634 -8.664 1.869 1.00 2.36 C ATOM 555 CH2 TRP A 35 -18.398 -7.461 1.188 1.00 2.26 C ATOM 0 H TRP A 35 -13.812 -10.276 1.680 1.00 0.74 H new ATOM 0 HA TRP A 35 -13.936 -13.295 1.694 1.00 0.83 H new ATOM 0 HB2 TRP A 35 -15.812 -12.738 0.002 1.00 0.91 H new ATOM 0 HB3 TRP A 35 -16.144 -12.267 1.657 1.00 0.91 H new ATOM 0 HD1 TRP A 35 -14.043 -10.401 -1.040 1.00 0.84 H new ATOM 0 HE1 TRP A 35 -14.961 -7.998 -1.300 1.00 0.85 H new ATOM 0 HE3 TRP A 35 -17.987 -10.694 2.194 1.00 1.84 H new ATOM 0 HZ2 TRP A 35 -17.134 -6.439 -0.227 1.00 1.66 H new ATOM 0 HZ3 TRP A 35 -19.465 -8.739 2.555 1.00 2.36 H new ATOM 0 HH2 TRP A 35 -19.046 -6.612 1.349 1.00 2.26 H new ATOM 566 N CYS A 36 -12.163 -11.587 -0.200 1.00 0.65 N ATOM 567 CA CYS A 36 -11.281 -11.628 -1.404 1.00 0.67 C ATOM 568 C CYS A 36 -10.803 -13.061 -1.670 1.00 0.84 C ATOM 569 O CYS A 36 -10.615 -13.461 -2.801 1.00 1.63 O ATOM 570 CB CYS A 36 -10.099 -10.724 -1.052 1.00 0.58 C ATOM 571 SG CYS A 36 -8.889 -10.746 -2.397 1.00 1.07 S ATOM 0 H CYS A 36 -11.922 -10.874 0.489 1.00 0.65 H new ATOM 0 HA CYS A 36 -11.797 -11.298 -2.306 1.00 0.67 H new ATOM 0 HB2 CYS A 36 -10.447 -9.705 -0.880 1.00 0.58 H new ATOM 0 HB3 CYS A 36 -9.634 -11.062 -0.126 1.00 0.58 H new ATOM 576 N GLY A 37 -10.601 -13.833 -0.638 1.00 0.96 N ATOM 577 CA GLY A 37 -10.133 -15.232 -0.837 1.00 1.08 C ATOM 578 C GLY A 37 -8.689 -15.213 -1.346 1.00 1.00 C ATOM 579 O GLY A 37 -8.361 -14.509 -2.280 1.00 1.83 O ATOM 0 H GLY A 37 -10.740 -13.555 0.334 1.00 0.96 H new ATOM 0 HA2 GLY A 37 -10.193 -15.785 0.100 1.00 1.08 H new ATOM 0 HA3 GLY A 37 -10.776 -15.745 -1.552 1.00 1.08 H new ATOM 583 N HIS A 38 -7.823 -15.980 -0.736 1.00 0.89 N ATOM 584 CA HIS A 38 -6.394 -16.009 -1.180 1.00 0.97 C ATOM 585 C HIS A 38 -5.777 -14.610 -1.106 1.00 0.88 C ATOM 586 O HIS A 38 -4.748 -14.344 -1.696 1.00 1.13 O ATOM 587 CB HIS A 38 -6.432 -16.494 -2.629 1.00 1.32 C ATOM 588 CG HIS A 38 -5.093 -17.068 -3.005 1.00 1.72 C ATOM 589 ND1 HIS A 38 -3.915 -16.475 -3.384 1.00 2.39 N flip ATOM 590 CD2 HIS A 38 -4.852 -18.433 -3.020 1.00 2.35 C flip ATOM 591 CE1 HIS A 38 -2.956 -17.453 -3.632 1.00 2.85 C flip ATOM 592 NE2 HIS A 38 -3.574 -18.615 -3.397 1.00 2.87 N flip ATOM 0 H HIS A 38 -8.043 -16.589 0.052 1.00 0.89 H new ATOM 0 HA HIS A 38 -5.788 -16.656 -0.546 1.00 0.97 H new ATOM 0 HB2 HIS A 38 -7.209 -17.249 -2.750 1.00 1.32 H new ATOM 0 HB3 HIS A 38 -6.684 -15.667 -3.293 1.00 1.32 H new ATOM 0 HD1 HIS A 38 -3.765 -15.470 -3.471 1.00 2.39 H new ATOM 0 HD2 HIS A 38 -5.561 -19.209 -2.774 1.00 2.35 H new ATOM 0 HE1 HIS A 38 -1.933 -17.305 -3.946 1.00 2.85 H new ATOM 600 N CYS A 39 -6.390 -13.713 -0.386 1.00 0.79 N ATOM 601 CA CYS A 39 -5.829 -12.337 -0.274 1.00 0.88 C ATOM 602 C CYS A 39 -4.909 -12.253 0.944 1.00 0.82 C ATOM 603 O CYS A 39 -3.897 -11.581 0.930 1.00 1.00 O ATOM 604 CB CYS A 39 -7.043 -11.422 -0.099 1.00 1.08 C ATOM 605 SG CYS A 39 -7.146 -10.276 -1.498 1.00 1.00 S ATOM 0 H CYS A 39 -7.255 -13.873 0.130 1.00 0.79 H new ATOM 0 HA CYS A 39 -5.237 -12.055 -1.145 1.00 0.88 H new ATOM 0 HB2 CYS A 39 -7.954 -12.017 -0.036 1.00 1.08 H new ATOM 0 HB3 CYS A 39 -6.960 -10.866 0.835 1.00 1.08 H new ATOM 610 N LYS A 40 -5.252 -12.941 1.996 1.00 0.78 N ATOM 611 CA LYS A 40 -4.398 -12.915 3.218 1.00 0.94 C ATOM 612 C LYS A 40 -3.057 -13.602 2.933 1.00 0.84 C ATOM 613 O LYS A 40 -2.081 -13.390 3.625 1.00 0.94 O ATOM 614 CB LYS A 40 -5.190 -13.689 4.277 1.00 1.21 C ATOM 615 CG LYS A 40 -5.354 -15.149 3.840 1.00 1.56 C ATOM 616 CD LYS A 40 -6.318 -15.862 4.791 1.00 2.11 C ATOM 617 CE LYS A 40 -6.096 -17.374 4.706 1.00 2.72 C ATOM 618 NZ LYS A 40 -7.192 -17.875 3.831 1.00 3.29 N ATOM 0 H LYS A 40 -6.088 -13.522 2.064 1.00 0.78 H new ATOM 0 HA LYS A 40 -4.173 -11.900 3.547 1.00 0.94 H new ATOM 0 HB2 LYS A 40 -4.674 -13.643 5.236 1.00 1.21 H new ATOM 0 HB3 LYS A 40 -6.169 -13.231 4.419 1.00 1.21 H new ATOM 0 HG2 LYS A 40 -5.734 -15.194 2.819 1.00 1.56 H new ATOM 0 HG3 LYS A 40 -4.387 -15.651 3.842 1.00 1.56 H new ATOM 0 HD2 LYS A 40 -6.159 -15.517 5.813 1.00 2.11 H new ATOM 0 HD3 LYS A 40 -7.348 -15.620 4.530 1.00 2.11 H new ATOM 0 HE2 LYS A 40 -5.118 -17.606 4.286 1.00 2.72 H new ATOM 0 HE3 LYS A 40 -6.137 -17.835 5.693 1.00 2.72 H new ATOM 0 HZ1 LYS A 40 -7.107 -18.906 3.725 1.00 3.29 H new ATOM 0 HZ2 LYS A 40 -8.111 -17.645 4.260 1.00 3.29 H new ATOM 0 HZ3 LYS A 40 -7.124 -17.424 2.896 1.00 3.29 H new ATOM 632 N ALA A 41 -3.002 -14.422 1.917 1.00 0.77 N ATOM 633 CA ALA A 41 -1.724 -15.118 1.589 1.00 0.86 C ATOM 634 C ALA A 41 -0.583 -14.102 1.468 1.00 0.75 C ATOM 635 O ALA A 41 0.548 -14.381 1.812 1.00 0.90 O ATOM 636 CB ALA A 41 -1.981 -15.801 0.245 1.00 0.93 C ATOM 0 H ALA A 41 -3.786 -14.639 1.301 1.00 0.77 H new ATOM 0 HA ALA A 41 -1.431 -15.831 2.360 1.00 0.86 H new ATOM 0 HB1 ALA A 41 -1.085 -16.337 -0.068 1.00 0.93 H new ATOM 0 HB2 ALA A 41 -2.808 -16.504 0.346 1.00 0.93 H new ATOM 0 HB3 ALA A 41 -2.233 -15.049 -0.503 1.00 0.93 H new ATOM 642 N LEU A 42 -0.875 -12.924 0.986 1.00 0.65 N ATOM 643 CA LEU A 42 0.192 -11.890 0.847 1.00 0.67 C ATOM 644 C LEU A 42 0.094 -10.865 1.983 1.00 0.63 C ATOM 645 O LEU A 42 0.633 -9.780 1.900 1.00 0.70 O ATOM 646 CB LEU A 42 -0.077 -11.224 -0.502 1.00 0.82 C ATOM 647 CG LEU A 42 1.253 -10.871 -1.170 1.00 0.86 C ATOM 648 CD1 LEU A 42 1.947 -12.155 -1.633 1.00 1.24 C ATOM 649 CD2 LEU A 42 0.994 -9.968 -2.378 1.00 1.37 C ATOM 0 H LEU A 42 -1.804 -12.633 0.683 1.00 0.65 H new ATOM 0 HA LEU A 42 1.192 -12.321 0.898 1.00 0.67 H new ATOM 0 HB2 LEU A 42 -0.651 -11.894 -1.142 1.00 0.82 H new ATOM 0 HB3 LEU A 42 -0.676 -10.324 -0.362 1.00 0.82 H new ATOM 0 HG LEU A 42 1.891 -10.349 -0.457 1.00 0.86 H new ATOM 0 HD11 LEU A 42 2.895 -11.905 -2.109 1.00 1.24 H new ATOM 0 HD12 LEU A 42 2.132 -12.799 -0.773 1.00 1.24 H new ATOM 0 HD13 LEU A 42 1.309 -12.676 -2.347 1.00 1.24 H new ATOM 0 HD21 LEU A 42 1.942 -9.716 -2.854 1.00 1.37 H new ATOM 0 HD22 LEU A 42 0.356 -10.489 -3.092 1.00 1.37 H new ATOM 0 HD23 LEU A 42 0.499 -9.054 -2.050 1.00 1.37 H new ATOM 661 N ALA A 43 -0.587 -11.203 3.045 1.00 0.71 N ATOM 662 CA ALA A 43 -0.716 -10.251 4.189 1.00 0.73 C ATOM 663 C ALA A 43 0.588 -10.176 5.004 1.00 0.67 C ATOM 664 O ALA A 43 1.023 -9.098 5.358 1.00 0.65 O ATOM 665 CB ALA A 43 -1.851 -10.813 5.047 1.00 0.88 C ATOM 0 H ALA A 43 -1.060 -12.098 3.171 1.00 0.71 H new ATOM 0 HA ALA A 43 -0.919 -9.237 3.845 1.00 0.73 H new ATOM 0 HB1 ALA A 43 -2.008 -10.167 5.911 1.00 0.88 H new ATOM 0 HB2 ALA A 43 -2.766 -10.858 4.456 1.00 0.88 H new ATOM 0 HB3 ALA A 43 -1.589 -11.815 5.386 1.00 0.88 H new ATOM 671 N PRO A 44 1.180 -11.319 5.277 1.00 0.69 N ATOM 672 CA PRO A 44 2.438 -11.345 6.052 1.00 0.70 C ATOM 673 C PRO A 44 3.631 -11.051 5.137 1.00 0.59 C ATOM 674 O PRO A 44 4.738 -10.842 5.593 1.00 0.65 O ATOM 675 CB PRO A 44 2.501 -12.769 6.589 1.00 0.83 C ATOM 676 CG PRO A 44 1.686 -13.593 5.638 1.00 0.84 C ATOM 677 CD PRO A 44 0.751 -12.668 4.896 1.00 0.76 C ATOM 0 HA PRO A 44 2.470 -10.597 6.845 1.00 0.70 H new ATOM 0 HB2 PRO A 44 3.530 -13.126 6.635 1.00 0.83 H new ATOM 0 HB3 PRO A 44 2.099 -12.825 7.601 1.00 0.83 H new ATOM 0 HG2 PRO A 44 2.335 -14.119 4.938 1.00 0.84 H new ATOM 0 HG3 PRO A 44 1.120 -14.351 6.180 1.00 0.84 H new ATOM 0 HD2 PRO A 44 0.821 -12.816 3.818 1.00 0.76 H new ATOM 0 HD3 PRO A 44 -0.287 -12.847 5.176 1.00 0.76 H new ATOM 685 N GLU A 45 3.412 -11.015 3.848 1.00 0.53 N ATOM 686 CA GLU A 45 4.533 -10.715 2.913 1.00 0.46 C ATOM 687 C GLU A 45 4.575 -9.212 2.664 1.00 0.41 C ATOM 688 O GLU A 45 5.625 -8.605 2.578 1.00 0.47 O ATOM 689 CB GLU A 45 4.195 -11.466 1.625 1.00 0.48 C ATOM 690 CG GLU A 45 4.025 -12.956 1.930 1.00 0.61 C ATOM 691 CD GLU A 45 5.403 -13.607 2.078 1.00 1.12 C ATOM 692 OE1 GLU A 45 6.246 -13.021 2.736 1.00 1.90 O ATOM 693 OE2 GLU A 45 5.591 -14.681 1.529 1.00 1.83 O ATOM 0 H GLU A 45 2.508 -11.180 3.405 1.00 0.53 H new ATOM 0 HA GLU A 45 5.505 -11.017 3.302 1.00 0.46 H new ATOM 0 HB2 GLU A 45 3.279 -11.067 1.189 1.00 0.48 H new ATOM 0 HB3 GLU A 45 4.987 -11.323 0.890 1.00 0.48 H new ATOM 0 HG2 GLU A 45 3.449 -13.087 2.846 1.00 0.61 H new ATOM 0 HG3 GLU A 45 3.466 -13.441 1.129 1.00 0.61 H new ATOM 700 N TYR A 46 3.425 -8.610 2.567 1.00 0.43 N ATOM 701 CA TYR A 46 3.355 -7.144 2.343 1.00 0.48 C ATOM 702 C TYR A 46 3.744 -6.416 3.643 1.00 0.52 C ATOM 703 O TYR A 46 4.146 -5.271 3.628 1.00 0.69 O ATOM 704 CB TYR A 46 1.881 -6.915 1.933 1.00 0.64 C ATOM 705 CG TYR A 46 1.325 -5.618 2.486 1.00 0.72 C ATOM 706 CD1 TYR A 46 1.711 -4.404 1.909 1.00 1.02 C ATOM 707 CD2 TYR A 46 0.433 -5.626 3.567 1.00 1.03 C ATOM 708 CE1 TYR A 46 1.209 -3.202 2.408 1.00 1.38 C ATOM 709 CE2 TYR A 46 -0.071 -4.420 4.065 1.00 1.39 C ATOM 710 CZ TYR A 46 0.283 -3.242 3.528 1.00 1.50 C ATOM 711 OH TYR A 46 -0.181 -2.021 3.969 1.00 1.95 O ATOM 0 H TYR A 46 2.521 -9.078 2.634 1.00 0.43 H new ATOM 0 HA TYR A 46 4.036 -6.762 1.582 1.00 0.48 H new ATOM 0 HB2 TYR A 46 1.806 -6.906 0.846 1.00 0.64 H new ATOM 0 HB3 TYR A 46 1.274 -7.748 2.287 1.00 0.64 H new ATOM 0 HD1 TYR A 46 2.399 -4.397 1.076 1.00 1.02 H new ATOM 0 HD2 TYR A 46 0.135 -6.562 4.015 1.00 1.03 H new ATOM 0 HE1 TYR A 46 1.503 -2.259 1.970 1.00 1.38 H new ATOM 0 HE2 TYR A 46 -0.758 -4.437 4.898 1.00 1.39 H new ATOM 0 HH TYR A 46 -0.932 -2.159 4.584 1.00 1.95 H new ATOM 721 N ALA A 47 3.625 -7.079 4.763 1.00 0.53 N ATOM 722 CA ALA A 47 3.987 -6.432 6.056 1.00 0.62 C ATOM 723 C ALA A 47 5.479 -6.621 6.343 1.00 0.58 C ATOM 724 O ALA A 47 6.099 -5.818 7.012 1.00 0.68 O ATOM 725 CB ALA A 47 3.144 -7.151 7.109 1.00 0.73 C ATOM 0 H ALA A 47 3.293 -8.040 4.837 1.00 0.53 H new ATOM 0 HA ALA A 47 3.799 -5.358 6.047 1.00 0.62 H new ATOM 0 HB1 ALA A 47 3.354 -6.730 8.092 1.00 0.73 H new ATOM 0 HB2 ALA A 47 2.086 -7.023 6.878 1.00 0.73 H new ATOM 0 HB3 ALA A 47 3.390 -8.213 7.109 1.00 0.73 H new ATOM 731 N LYS A 48 6.058 -7.678 5.843 1.00 0.51 N ATOM 732 CA LYS A 48 7.509 -7.918 6.089 1.00 0.55 C ATOM 733 C LYS A 48 8.357 -6.971 5.235 1.00 0.53 C ATOM 734 O LYS A 48 9.512 -6.727 5.523 1.00 0.65 O ATOM 735 CB LYS A 48 7.747 -9.372 5.676 1.00 0.60 C ATOM 736 CG LYS A 48 7.460 -10.296 6.862 1.00 1.03 C ATOM 737 CD LYS A 48 7.261 -11.727 6.359 1.00 1.41 C ATOM 738 CE LYS A 48 8.616 -12.433 6.276 1.00 1.92 C ATOM 739 NZ LYS A 48 8.465 -13.654 7.113 1.00 2.47 N ATOM 0 H LYS A 48 5.590 -8.385 5.276 1.00 0.51 H new ATOM 0 HA LYS A 48 7.785 -7.739 7.128 1.00 0.55 H new ATOM 0 HB2 LYS A 48 7.104 -9.632 4.835 1.00 0.60 H new ATOM 0 HB3 LYS A 48 8.776 -9.502 5.342 1.00 0.60 H new ATOM 0 HG2 LYS A 48 8.286 -10.261 7.572 1.00 1.03 H new ATOM 0 HG3 LYS A 48 6.569 -9.959 7.392 1.00 1.03 H new ATOM 0 HD2 LYS A 48 6.597 -12.271 7.031 1.00 1.41 H new ATOM 0 HD3 LYS A 48 6.784 -11.716 5.379 1.00 1.41 H new ATOM 0 HE2 LYS A 48 8.866 -12.689 5.246 1.00 1.92 H new ATOM 0 HE3 LYS A 48 9.417 -11.795 6.649 1.00 1.92 H new ATOM 0 HZ1 LYS A 48 9.355 -14.192 7.106 1.00 2.47 H new ATOM 0 HZ2 LYS A 48 8.234 -13.379 8.089 1.00 2.47 H new ATOM 0 HZ3 LYS A 48 7.700 -14.245 6.730 1.00 2.47 H new ATOM 753 N ALA A 49 7.795 -6.438 4.185 1.00 0.47 N ATOM 754 CA ALA A 49 8.571 -5.508 3.316 1.00 0.50 C ATOM 755 C ALA A 49 8.902 -4.222 4.076 1.00 0.53 C ATOM 756 O ALA A 49 10.045 -3.819 4.172 1.00 0.65 O ATOM 757 CB ALA A 49 7.650 -5.209 2.133 1.00 0.55 C ATOM 0 H ALA A 49 6.833 -6.606 3.891 1.00 0.47 H new ATOM 0 HA ALA A 49 9.520 -5.939 2.996 1.00 0.50 H new ATOM 0 HB1 ALA A 49 8.151 -4.528 1.445 1.00 0.55 H new ATOM 0 HB2 ALA A 49 7.410 -6.137 1.615 1.00 0.55 H new ATOM 0 HB3 ALA A 49 6.731 -4.748 2.495 1.00 0.55 H new ATOM 763 N ALA A 50 7.909 -3.578 4.618 1.00 0.54 N ATOM 764 CA ALA A 50 8.157 -2.317 5.374 1.00 0.65 C ATOM 765 C ALA A 50 9.117 -2.580 6.537 1.00 0.65 C ATOM 766 O ALA A 50 9.770 -1.682 7.029 1.00 0.77 O ATOM 767 CB ALA A 50 6.784 -1.892 5.897 1.00 0.76 C ATOM 0 H ALA A 50 6.933 -3.870 4.571 1.00 0.54 H new ATOM 0 HA ALA A 50 8.613 -1.545 4.754 1.00 0.65 H new ATOM 0 HB1 ALA A 50 6.882 -0.968 6.467 1.00 0.76 H new ATOM 0 HB2 ALA A 50 6.109 -1.731 5.057 1.00 0.76 H new ATOM 0 HB3 ALA A 50 6.382 -2.674 6.541 1.00 0.76 H new ATOM 773 N GLY A 51 9.211 -3.804 6.979 1.00 0.59 N ATOM 774 CA GLY A 51 10.131 -4.119 8.107 1.00 0.69 C ATOM 775 C GLY A 51 11.575 -4.077 7.608 1.00 0.78 C ATOM 776 O GLY A 51 12.492 -3.792 8.354 1.00 0.90 O ATOM 0 H GLY A 51 8.691 -4.599 6.608 1.00 0.59 H new ATOM 0 HA2 GLY A 51 9.993 -3.401 8.916 1.00 0.69 H new ATOM 0 HA3 GLY A 51 9.903 -5.105 8.513 1.00 0.69 H new ATOM 780 N LYS A 52 11.787 -4.356 6.352 1.00 0.80 N ATOM 781 CA LYS A 52 13.174 -4.329 5.805 1.00 1.01 C ATOM 782 C LYS A 52 13.750 -2.914 5.905 1.00 1.12 C ATOM 783 O LYS A 52 14.949 -2.721 5.933 1.00 1.31 O ATOM 784 CB LYS A 52 13.034 -4.751 4.342 1.00 1.15 C ATOM 785 CG LYS A 52 12.838 -6.266 4.264 1.00 1.49 C ATOM 786 CD LYS A 52 14.203 -6.956 4.242 1.00 1.97 C ATOM 787 CE LYS A 52 14.409 -7.640 2.888 1.00 2.64 C ATOM 788 NZ LYS A 52 15.406 -8.715 3.150 1.00 3.08 N ATOM 0 H LYS A 52 11.060 -4.602 5.680 1.00 0.80 H new ATOM 0 HA LYS A 52 13.848 -4.987 6.353 1.00 1.01 H new ATOM 0 HB2 LYS A 52 12.187 -4.240 3.885 1.00 1.15 H new ATOM 0 HB3 LYS A 52 13.922 -4.459 3.782 1.00 1.15 H new ATOM 0 HG2 LYS A 52 12.257 -6.613 5.119 1.00 1.49 H new ATOM 0 HG3 LYS A 52 12.273 -6.525 3.368 1.00 1.49 H new ATOM 0 HD2 LYS A 52 14.994 -6.226 4.417 1.00 1.97 H new ATOM 0 HD3 LYS A 52 14.264 -7.690 5.045 1.00 1.97 H new ATOM 0 HE2 LYS A 52 13.474 -8.052 2.507 1.00 2.64 H new ATOM 0 HE3 LYS A 52 14.775 -6.935 2.141 1.00 2.64 H new ATOM 0 HZ1 LYS A 52 15.600 -9.231 2.268 1.00 3.08 H new ATOM 0 HZ2 LYS A 52 16.287 -8.292 3.505 1.00 3.08 H new ATOM 0 HZ3 LYS A 52 15.028 -9.374 3.860 1.00 3.08 H new ATOM 802 N LEU A 53 12.903 -1.921 5.962 1.00 1.12 N ATOM 803 CA LEU A 53 13.404 -0.521 6.063 1.00 1.33 C ATOM 804 C LEU A 53 12.752 0.203 7.250 1.00 1.30 C ATOM 805 O LEU A 53 12.842 1.407 7.377 1.00 1.50 O ATOM 806 CB LEU A 53 13.012 0.144 4.737 1.00 1.55 C ATOM 807 CG LEU A 53 11.487 0.257 4.631 1.00 1.47 C ATOM 808 CD1 LEU A 53 11.017 1.536 5.327 1.00 2.07 C ATOM 809 CD2 LEU A 53 11.084 0.307 3.156 1.00 1.82 C ATOM 0 H LEU A 53 11.888 -2.019 5.943 1.00 1.12 H new ATOM 0 HA LEU A 53 14.480 -0.484 6.231 1.00 1.33 H new ATOM 0 HB2 LEU A 53 13.463 1.134 4.671 1.00 1.55 H new ATOM 0 HB3 LEU A 53 13.400 -0.439 3.901 1.00 1.55 H new ATOM 0 HG LEU A 53 11.026 -0.607 5.109 1.00 1.47 H new ATOM 0 HD11 LEU A 53 9.933 1.614 5.250 1.00 2.07 H new ATOM 0 HD12 LEU A 53 11.305 1.505 6.378 1.00 2.07 H new ATOM 0 HD13 LEU A 53 11.478 2.401 4.849 1.00 2.07 H new ATOM 0 HD21 LEU A 53 10.000 0.387 3.078 1.00 1.82 H new ATOM 0 HD22 LEU A 53 11.547 1.172 2.681 1.00 1.82 H new ATOM 0 HD23 LEU A 53 11.417 -0.603 2.657 1.00 1.82 H new ATOM 821 N LYS A 54 12.098 -0.519 8.122 1.00 1.20 N ATOM 822 CA LYS A 54 11.449 0.139 9.292 1.00 1.35 C ATOM 823 C LYS A 54 12.477 0.973 10.061 1.00 1.40 C ATOM 824 O LYS A 54 12.179 2.042 10.557 1.00 1.67 O ATOM 825 CB LYS A 54 10.936 -1.012 10.157 1.00 1.46 C ATOM 826 CG LYS A 54 10.280 -0.450 11.421 1.00 1.91 C ATOM 827 CD LYS A 54 11.059 -0.914 12.652 1.00 2.50 C ATOM 828 CE LYS A 54 10.560 -0.163 13.887 1.00 2.87 C ATOM 829 NZ LYS A 54 11.247 -0.817 15.036 1.00 3.88 N ATOM 0 H LYS A 54 11.986 -1.532 8.074 1.00 1.20 H new ATOM 0 HA LYS A 54 10.646 0.815 8.997 1.00 1.35 H new ATOM 0 HB2 LYS A 54 10.217 -1.609 9.596 1.00 1.46 H new ATOM 0 HB3 LYS A 54 11.759 -1.674 10.426 1.00 1.46 H new ATOM 0 HG2 LYS A 54 10.261 0.639 11.379 1.00 1.91 H new ATOM 0 HG3 LYS A 54 9.245 -0.785 11.486 1.00 1.91 H new ATOM 0 HD2 LYS A 54 10.933 -1.988 12.791 1.00 2.50 H new ATOM 0 HD3 LYS A 54 12.125 -0.734 12.510 1.00 2.50 H new ATOM 0 HE2 LYS A 54 10.806 0.897 13.831 1.00 2.87 H new ATOM 0 HE3 LYS A 54 9.476 -0.234 13.982 1.00 2.87 H new ATOM 0 HZ1 LYS A 54 10.956 -0.357 15.922 1.00 3.88 H new ATOM 0 HZ2 LYS A 54 10.989 -1.824 15.068 1.00 3.88 H new ATOM 0 HZ3 LYS A 54 12.277 -0.727 14.921 1.00 3.88 H new ATOM 843 N ALA A 55 13.685 0.494 10.162 1.00 1.63 N ATOM 844 CA ALA A 55 14.734 1.258 10.899 1.00 2.20 C ATOM 845 C ALA A 55 15.669 1.982 9.919 1.00 2.03 C ATOM 846 O ALA A 55 16.611 2.635 10.323 1.00 2.38 O ATOM 847 CB ALA A 55 15.505 0.204 11.692 1.00 2.78 C ATOM 0 H ALA A 55 13.993 -0.394 9.766 1.00 1.63 H new ATOM 0 HA ALA A 55 14.303 2.025 11.543 1.00 2.20 H new ATOM 0 HB1 ALA A 55 16.298 0.687 12.264 1.00 2.78 H new ATOM 0 HB2 ALA A 55 14.826 -0.307 12.374 1.00 2.78 H new ATOM 0 HB3 ALA A 55 15.943 -0.520 11.005 1.00 2.78 H new ATOM 853 N GLU A 56 15.423 1.876 8.639 1.00 1.67 N ATOM 854 CA GLU A 56 16.308 2.565 7.655 1.00 1.70 C ATOM 855 C GLU A 56 16.198 4.080 7.823 1.00 1.53 C ATOM 856 O GLU A 56 17.186 4.779 7.932 1.00 1.98 O ATOM 857 CB GLU A 56 15.786 2.138 6.283 1.00 1.99 C ATOM 858 CG GLU A 56 16.940 1.581 5.445 1.00 2.69 C ATOM 859 CD GLU A 56 17.150 2.464 4.215 1.00 3.21 C ATOM 860 OE1 GLU A 56 16.364 2.353 3.289 1.00 3.64 O ATOM 861 OE2 GLU A 56 18.094 3.239 4.220 1.00 3.63 O ATOM 0 H GLU A 56 14.652 1.345 8.235 1.00 1.67 H new ATOM 0 HA GLU A 56 17.358 2.304 7.789 1.00 1.70 H new ATOM 0 HB2 GLU A 56 15.009 1.383 6.397 1.00 1.99 H new ATOM 0 HB3 GLU A 56 15.332 2.988 5.775 1.00 1.99 H new ATOM 0 HG2 GLU A 56 17.852 1.546 6.041 1.00 2.69 H new ATOM 0 HG3 GLU A 56 16.720 0.558 5.138 1.00 2.69 H new ATOM 868 N GLY A 57 15.001 4.589 7.848 1.00 1.58 N ATOM 869 CA GLY A 57 14.818 6.058 8.012 1.00 2.25 C ATOM 870 C GLY A 57 14.194 6.657 6.747 1.00 1.97 C ATOM 871 O GLY A 57 14.180 7.858 6.566 1.00 2.50 O ATOM 0 H GLY A 57 14.138 4.051 7.762 1.00 1.58 H new ATOM 0 HA2 GLY A 57 14.179 6.259 8.872 1.00 2.25 H new ATOM 0 HA3 GLY A 57 15.779 6.532 8.212 1.00 2.25 H new ATOM 875 N SER A 58 13.674 5.839 5.869 1.00 1.30 N ATOM 876 CA SER A 58 13.054 6.384 4.631 1.00 1.23 C ATOM 877 C SER A 58 11.678 6.966 4.953 1.00 1.03 C ATOM 878 O SER A 58 11.138 6.749 6.020 1.00 1.27 O ATOM 879 CB SER A 58 12.925 5.186 3.690 1.00 1.53 C ATOM 880 OG SER A 58 14.045 5.147 2.818 1.00 2.13 O ATOM 0 H SER A 58 13.653 4.823 5.957 1.00 1.30 H new ATOM 0 HA SER A 58 13.645 7.185 4.186 1.00 1.23 H new ATOM 0 HB2 SER A 58 12.866 4.262 4.266 1.00 1.53 H new ATOM 0 HB3 SER A 58 12.003 5.261 3.113 1.00 1.53 H new ATOM 0 HG SER A 58 13.964 4.378 2.216 1.00 2.13 H new ATOM 886 N GLU A 59 11.103 7.697 4.043 1.00 0.85 N ATOM 887 CA GLU A 59 9.758 8.284 4.308 1.00 0.87 C ATOM 888 C GLU A 59 8.657 7.424 3.671 1.00 0.76 C ATOM 889 O GLU A 59 7.483 7.701 3.815 1.00 1.06 O ATOM 890 CB GLU A 59 9.788 9.685 3.687 1.00 1.10 C ATOM 891 CG GLU A 59 10.204 9.603 2.216 1.00 1.05 C ATOM 892 CD GLU A 59 9.013 9.140 1.372 1.00 1.58 C ATOM 893 OE1 GLU A 59 8.611 7.998 1.528 1.00 2.13 O ATOM 894 OE2 GLU A 59 8.523 9.935 0.587 1.00 2.22 O ATOM 0 H GLU A 59 11.502 7.914 3.130 1.00 0.85 H new ATOM 0 HA GLU A 59 9.539 8.326 5.375 1.00 0.87 H new ATOM 0 HB2 GLU A 59 8.805 10.148 3.769 1.00 1.10 H new ATOM 0 HB3 GLU A 59 10.485 10.319 4.235 1.00 1.10 H new ATOM 0 HG2 GLU A 59 10.551 10.577 1.871 1.00 1.05 H new ATOM 0 HG3 GLU A 59 11.036 8.909 2.101 1.00 1.05 H new ATOM 901 N ILE A 60 9.021 6.379 2.971 1.00 0.59 N ATOM 902 CA ILE A 60 7.986 5.511 2.339 1.00 0.57 C ATOM 903 C ILE A 60 7.155 4.815 3.419 1.00 0.52 C ATOM 904 O ILE A 60 7.506 4.819 4.582 1.00 0.63 O ATOM 905 CB ILE A 60 8.776 4.482 1.522 1.00 0.68 C ATOM 906 CG1 ILE A 60 9.788 5.193 0.616 1.00 1.46 C ATOM 907 CG2 ILE A 60 7.816 3.660 0.659 1.00 1.34 C ATOM 908 CD1 ILE A 60 11.182 4.608 0.850 1.00 1.60 C ATOM 0 H ILE A 60 9.987 6.092 2.811 1.00 0.59 H new ATOM 0 HA ILE A 60 7.292 6.077 1.718 1.00 0.57 H new ATOM 0 HB ILE A 60 9.308 3.823 2.208 1.00 0.68 H new ATOM 0 HG12 ILE A 60 9.503 5.074 -0.429 1.00 1.46 H new ATOM 0 HG13 ILE A 60 9.791 6.263 0.826 1.00 1.46 H new ATOM 0 HG21 ILE A 60 8.382 2.930 0.080 1.00 1.34 H new ATOM 0 HG22 ILE A 60 7.104 3.141 1.300 1.00 1.34 H new ATOM 0 HG23 ILE A 60 7.278 4.323 -0.019 1.00 1.34 H new ATOM 0 HD11 ILE A 60 11.902 5.113 0.206 1.00 1.60 H new ATOM 0 HD12 ILE A 60 11.466 4.750 1.893 1.00 1.60 H new ATOM 0 HD13 ILE A 60 11.173 3.543 0.618 1.00 1.60 H new ATOM 920 N ARG A 61 6.055 4.219 3.045 1.00 0.45 N ATOM 921 CA ARG A 61 5.202 3.528 4.055 1.00 0.45 C ATOM 922 C ARG A 61 4.164 2.632 3.371 1.00 0.41 C ATOM 923 O ARG A 61 3.652 2.950 2.317 1.00 0.55 O ATOM 924 CB ARG A 61 4.509 4.655 4.821 1.00 0.51 C ATOM 925 CG ARG A 61 5.306 4.978 6.084 1.00 0.75 C ATOM 926 CD ARG A 61 4.345 5.380 7.207 1.00 0.97 C ATOM 927 NE ARG A 61 4.703 4.497 8.350 1.00 1.30 N ATOM 928 CZ ARG A 61 5.535 4.919 9.262 1.00 1.66 C ATOM 929 NH1 ARG A 61 5.110 5.683 10.231 1.00 2.21 N ATOM 930 NH2 ARG A 61 6.793 4.577 9.205 1.00 2.19 N ATOM 0 H ARG A 61 5.710 4.181 2.086 1.00 0.45 H new ATOM 0 HA ARG A 61 5.788 2.882 4.708 1.00 0.45 H new ATOM 0 HB2 ARG A 61 4.429 5.541 4.192 1.00 0.51 H new ATOM 0 HB3 ARG A 61 3.494 4.359 5.085 1.00 0.51 H new ATOM 0 HG2 ARG A 61 5.894 4.112 6.387 1.00 0.75 H new ATOM 0 HG3 ARG A 61 6.009 5.787 5.886 1.00 0.75 H new ATOM 0 HD2 ARG A 61 4.461 6.432 7.469 1.00 0.97 H new ATOM 0 HD3 ARG A 61 3.306 5.238 6.908 1.00 0.97 H new ATOM 0 HE ARG A 61 4.299 3.563 8.420 1.00 1.30 H new ATOM 0 HH11 ARG A 61 4.127 5.951 10.276 1.00 2.21 H new ATOM 0 HH12 ARG A 61 5.761 6.013 10.944 1.00 2.21 H new ATOM 0 HH21 ARG A 61 7.125 3.980 8.448 1.00 2.19 H new ATOM 0 HH22 ARG A 61 7.444 4.907 9.918 1.00 2.19 H new ATOM 944 N LEU A 62 3.847 1.517 3.973 1.00 0.35 N ATOM 945 CA LEU A 62 2.838 0.599 3.371 1.00 0.36 C ATOM 946 C LEU A 62 1.484 0.792 4.061 1.00 0.32 C ATOM 947 O LEU A 62 1.417 1.123 5.229 1.00 0.38 O ATOM 948 CB LEU A 62 3.377 -0.809 3.630 1.00 0.48 C ATOM 949 CG LEU A 62 4.495 -1.120 2.633 1.00 0.73 C ATOM 950 CD1 LEU A 62 5.794 -0.459 3.101 1.00 1.59 C ATOM 951 CD2 LEU A 62 4.694 -2.635 2.547 1.00 1.22 C ATOM 0 H LEU A 62 4.245 1.202 4.858 1.00 0.35 H new ATOM 0 HA LEU A 62 2.687 0.785 2.308 1.00 0.36 H new ATOM 0 HB2 LEU A 62 3.754 -0.883 4.650 1.00 0.48 H new ATOM 0 HB3 LEU A 62 2.575 -1.540 3.533 1.00 0.48 H new ATOM 0 HG LEU A 62 4.225 -0.733 1.650 1.00 0.73 H new ATOM 0 HD11 LEU A 62 6.591 -0.680 2.391 1.00 1.59 H new ATOM 0 HD12 LEU A 62 5.652 0.620 3.162 1.00 1.59 H new ATOM 0 HD13 LEU A 62 6.066 -0.845 4.083 1.00 1.59 H new ATOM 0 HD21 LEU A 62 5.490 -2.858 1.837 1.00 1.22 H new ATOM 0 HD22 LEU A 62 4.965 -3.023 3.529 1.00 1.22 H new ATOM 0 HD23 LEU A 62 3.769 -3.105 2.214 1.00 1.22 H new ATOM 963 N ALA A 63 0.402 0.589 3.357 1.00 0.30 N ATOM 964 CA ALA A 63 -0.933 0.771 4.001 1.00 0.32 C ATOM 965 C ALA A 63 -1.962 -0.181 3.387 1.00 0.31 C ATOM 966 O ALA A 63 -1.808 -0.649 2.276 1.00 0.37 O ATOM 967 CB ALA A 63 -1.316 2.225 3.723 1.00 0.37 C ATOM 0 H ALA A 63 0.383 0.309 2.376 1.00 0.30 H new ATOM 0 HA ALA A 63 -0.903 0.553 5.069 1.00 0.32 H new ATOM 0 HB1 ALA A 63 -2.289 2.436 4.166 1.00 0.37 H new ATOM 0 HB2 ALA A 63 -0.568 2.888 4.158 1.00 0.37 H new ATOM 0 HB3 ALA A 63 -1.365 2.389 2.647 1.00 0.37 H new ATOM 973 N LYS A 64 -3.009 -0.476 4.108 1.00 0.30 N ATOM 974 CA LYS A 64 -4.046 -1.405 3.571 1.00 0.32 C ATOM 975 C LYS A 64 -5.442 -0.794 3.719 1.00 0.32 C ATOM 976 O LYS A 64 -5.675 0.050 4.561 1.00 0.40 O ATOM 977 CB LYS A 64 -3.923 -2.667 4.427 1.00 0.38 C ATOM 978 CG LYS A 64 -3.960 -3.902 3.523 1.00 1.39 C ATOM 979 CD LYS A 64 -4.110 -5.160 4.382 1.00 1.60 C ATOM 980 CE LYS A 64 -2.846 -6.015 4.266 1.00 2.04 C ATOM 981 NZ LYS A 64 -3.328 -7.350 3.811 1.00 2.26 N ATOM 0 H LYS A 64 -3.192 -0.115 5.044 1.00 0.30 H new ATOM 0 HA LYS A 64 -3.903 -1.610 2.510 1.00 0.32 H new ATOM 0 HB2 LYS A 64 -2.992 -2.646 4.994 1.00 0.38 H new ATOM 0 HB3 LYS A 64 -4.736 -2.709 5.151 1.00 0.38 H new ATOM 0 HG2 LYS A 64 -4.791 -3.827 2.821 1.00 1.39 H new ATOM 0 HG3 LYS A 64 -3.047 -3.960 2.931 1.00 1.39 H new ATOM 0 HD2 LYS A 64 -4.280 -4.884 5.423 1.00 1.60 H new ATOM 0 HD3 LYS A 64 -4.979 -5.732 4.058 1.00 1.60 H new ATOM 0 HE2 LYS A 64 -2.142 -5.585 3.554 1.00 2.04 H new ATOM 0 HE3 LYS A 64 -2.328 -6.087 5.222 1.00 2.04 H new ATOM 0 HZ1 LYS A 64 -2.531 -7.892 3.419 1.00 2.26 H new ATOM 0 HZ2 LYS A 64 -3.734 -7.866 4.618 1.00 2.26 H new ATOM 0 HZ3 LYS A 64 -4.056 -7.225 3.078 1.00 2.26 H new ATOM 995 N VAL A 65 -6.371 -1.215 2.904 1.00 0.30 N ATOM 996 CA VAL A 65 -7.752 -0.660 2.997 1.00 0.32 C ATOM 997 C VAL A 65 -8.788 -1.779 2.872 1.00 0.31 C ATOM 998 O VAL A 65 -8.643 -2.689 2.081 1.00 0.36 O ATOM 999 CB VAL A 65 -7.870 0.308 1.819 1.00 0.40 C ATOM 1000 CG1 VAL A 65 -9.301 0.852 1.740 1.00 0.45 C ATOM 1001 CG2 VAL A 65 -6.890 1.465 2.013 1.00 0.70 C ATOM 0 H VAL A 65 -6.234 -1.919 2.178 1.00 0.30 H new ATOM 0 HA VAL A 65 -7.932 -0.168 3.953 1.00 0.32 H new ATOM 0 HB VAL A 65 -7.634 -0.216 0.893 1.00 0.40 H new ATOM 0 HG11 VAL A 65 -9.382 1.542 0.900 1.00 0.45 H new ATOM 0 HG12 VAL A 65 -9.997 0.025 1.600 1.00 0.45 H new ATOM 0 HG13 VAL A 65 -9.542 1.377 2.664 1.00 0.45 H new ATOM 0 HG21 VAL A 65 -6.973 2.156 1.174 1.00 0.70 H new ATOM 0 HG22 VAL A 65 -7.125 1.989 2.940 1.00 0.70 H new ATOM 0 HG23 VAL A 65 -5.873 1.076 2.064 1.00 0.70 H new ATOM 1011 N ASP A 66 -9.839 -1.710 3.640 1.00 0.35 N ATOM 1012 CA ASP A 66 -10.893 -2.761 3.555 1.00 0.39 C ATOM 1013 C ASP A 66 -11.915 -2.375 2.483 1.00 0.40 C ATOM 1014 O ASP A 66 -12.847 -1.639 2.737 1.00 0.44 O ATOM 1015 CB ASP A 66 -11.542 -2.792 4.938 1.00 0.47 C ATOM 1016 CG ASP A 66 -10.743 -3.718 5.858 1.00 0.67 C ATOM 1017 OD1 ASP A 66 -9.530 -3.743 5.732 1.00 1.38 O ATOM 1018 OD2 ASP A 66 -11.358 -4.388 6.671 1.00 1.30 O ATOM 0 H ASP A 66 -10.014 -0.973 4.322 1.00 0.35 H new ATOM 0 HA ASP A 66 -10.491 -3.737 3.282 1.00 0.39 H new ATOM 0 HB2 ASP A 66 -11.576 -1.787 5.358 1.00 0.47 H new ATOM 0 HB3 ASP A 66 -12.572 -3.140 4.860 1.00 0.47 H new ATOM 1023 N ALA A 67 -11.743 -2.860 1.283 1.00 0.40 N ATOM 1024 CA ALA A 67 -12.699 -2.516 0.188 1.00 0.46 C ATOM 1025 C ALA A 67 -14.143 -2.735 0.645 1.00 0.51 C ATOM 1026 O ALA A 67 -15.055 -2.067 0.199 1.00 0.57 O ATOM 1027 CB ALA A 67 -12.348 -3.467 -0.955 1.00 0.51 C ATOM 0 H ALA A 67 -10.981 -3.481 1.012 1.00 0.40 H new ATOM 0 HA ALA A 67 -12.621 -1.470 -0.110 1.00 0.46 H new ATOM 0 HB1 ALA A 67 -13.008 -3.278 -1.801 1.00 0.51 H new ATOM 0 HB2 ALA A 67 -11.314 -3.305 -1.258 1.00 0.51 H new ATOM 0 HB3 ALA A 67 -12.472 -4.497 -0.622 1.00 0.51 H new ATOM 1033 N THR A 68 -14.356 -3.661 1.535 1.00 0.53 N ATOM 1034 CA THR A 68 -15.740 -3.920 2.027 1.00 0.62 C ATOM 1035 C THR A 68 -16.148 -2.843 3.039 1.00 0.64 C ATOM 1036 O THR A 68 -17.315 -2.655 3.323 1.00 0.86 O ATOM 1037 CB THR A 68 -15.669 -5.290 2.701 1.00 0.66 C ATOM 1038 OG1 THR A 68 -16.940 -5.618 3.242 1.00 1.29 O ATOM 1039 CG2 THR A 68 -14.628 -5.255 3.819 1.00 1.35 C ATOM 0 H THR A 68 -13.632 -4.252 1.945 1.00 0.53 H new ATOM 0 HA THR A 68 -16.477 -3.899 1.224 1.00 0.62 H new ATOM 0 HB THR A 68 -15.384 -6.043 1.966 1.00 0.66 H new ATOM 0 HG1 THR A 68 -17.429 -6.184 2.609 1.00 1.29 H new ATOM 0 HG21 THR A 68 -14.577 -6.232 4.300 1.00 1.35 H new ATOM 0 HG22 THR A 68 -13.653 -5.005 3.401 1.00 1.35 H new ATOM 0 HG23 THR A 68 -14.910 -4.503 4.555 1.00 1.35 H new ATOM 1047 N GLU A 69 -15.195 -2.139 3.588 1.00 0.57 N ATOM 1048 CA GLU A 69 -15.527 -1.080 4.583 1.00 0.61 C ATOM 1049 C GLU A 69 -15.190 0.305 4.019 1.00 0.57 C ATOM 1050 O GLU A 69 -15.997 1.211 4.051 1.00 0.66 O ATOM 1051 CB GLU A 69 -14.647 -1.396 5.793 1.00 0.63 C ATOM 1052 CG GLU A 69 -15.390 -1.024 7.078 1.00 0.83 C ATOM 1053 CD GLU A 69 -14.738 -1.733 8.267 1.00 1.50 C ATOM 1054 OE1 GLU A 69 -14.553 -2.935 8.186 1.00 2.22 O ATOM 1055 OE2 GLU A 69 -14.434 -1.059 9.239 1.00 2.10 O ATOM 0 H GLU A 69 -14.201 -2.252 3.390 1.00 0.57 H new ATOM 0 HA GLU A 69 -16.587 -1.066 4.837 1.00 0.61 H new ATOM 0 HB2 GLU A 69 -14.391 -2.455 5.803 1.00 0.63 H new ATOM 0 HB3 GLU A 69 -13.710 -0.842 5.729 1.00 0.63 H new ATOM 0 HG2 GLU A 69 -15.365 0.056 7.226 1.00 0.83 H new ATOM 0 HG3 GLU A 69 -16.439 -1.311 7.000 1.00 0.83 H new ATOM 1062 N GLU A 70 -14.003 0.474 3.500 1.00 0.52 N ATOM 1063 CA GLU A 70 -13.618 1.799 2.933 1.00 0.57 C ATOM 1064 C GLU A 70 -13.854 1.818 1.421 1.00 0.72 C ATOM 1065 O GLU A 70 -13.021 2.264 0.656 1.00 1.34 O ATOM 1066 CB GLU A 70 -12.129 1.943 3.245 1.00 0.71 C ATOM 1067 CG GLU A 70 -11.941 2.144 4.750 1.00 1.05 C ATOM 1068 CD GLU A 70 -11.016 1.056 5.298 1.00 1.37 C ATOM 1069 OE1 GLU A 70 -9.926 0.912 4.768 1.00 1.97 O ATOM 1070 OE2 GLU A 70 -11.414 0.384 6.235 1.00 1.89 O ATOM 0 H GLU A 70 -13.284 -0.247 3.444 1.00 0.52 H new ATOM 0 HA GLU A 70 -14.205 2.615 3.355 1.00 0.57 H new ATOM 0 HB2 GLU A 70 -11.590 1.055 2.916 1.00 0.71 H new ATOM 0 HB3 GLU A 70 -11.712 2.789 2.699 1.00 0.71 H new ATOM 0 HG2 GLU A 70 -11.517 3.129 4.946 1.00 1.05 H new ATOM 0 HG3 GLU A 70 -12.906 2.105 5.256 1.00 1.05 H new ATOM 1077 N SER A 71 -14.983 1.335 0.984 1.00 0.55 N ATOM 1078 CA SER A 71 -15.276 1.321 -0.478 1.00 0.66 C ATOM 1079 C SER A 71 -15.454 2.748 -1.006 1.00 0.70 C ATOM 1080 O SER A 71 -15.351 2.998 -2.190 1.00 0.94 O ATOM 1081 CB SER A 71 -16.580 0.535 -0.611 1.00 0.79 C ATOM 1082 OG SER A 71 -17.410 0.808 0.510 1.00 1.48 O ATOM 0 H SER A 71 -15.718 0.948 1.577 1.00 0.55 H new ATOM 0 HA SER A 71 -14.466 0.874 -1.053 1.00 0.66 H new ATOM 0 HB2 SER A 71 -17.092 0.811 -1.533 1.00 0.79 H new ATOM 0 HB3 SER A 71 -16.370 -0.533 -0.671 1.00 0.79 H new ATOM 0 HG SER A 71 -18.248 0.307 0.427 1.00 1.48 H new ATOM 1088 N ASP A 72 -15.725 3.686 -0.138 1.00 0.67 N ATOM 1089 CA ASP A 72 -15.913 5.095 -0.597 1.00 0.71 C ATOM 1090 C ASP A 72 -14.747 5.533 -1.486 1.00 0.68 C ATOM 1091 O ASP A 72 -14.927 6.224 -2.469 1.00 0.77 O ATOM 1092 CB ASP A 72 -15.954 5.929 0.685 1.00 0.78 C ATOM 1093 CG ASP A 72 -17.409 6.203 1.070 1.00 1.08 C ATOM 1094 OD1 ASP A 72 -18.072 6.917 0.334 1.00 1.83 O ATOM 1095 OD2 ASP A 72 -17.835 5.697 2.095 1.00 1.57 O ATOM 0 H ASP A 72 -15.824 3.539 0.866 1.00 0.67 H new ATOM 0 HA ASP A 72 -16.819 5.213 -1.191 1.00 0.71 H new ATOM 0 HB2 ASP A 72 -15.447 5.400 1.492 1.00 0.78 H new ATOM 0 HB3 ASP A 72 -15.423 6.869 0.537 1.00 0.78 H new ATOM 1100 N LEU A 73 -13.553 5.135 -1.149 1.00 0.63 N ATOM 1101 CA LEU A 73 -12.374 5.527 -1.976 1.00 0.68 C ATOM 1102 C LEU A 73 -12.181 4.536 -3.124 1.00 0.60 C ATOM 1103 O LEU A 73 -11.951 4.914 -4.255 1.00 0.64 O ATOM 1104 CB LEU A 73 -11.181 5.479 -1.022 1.00 0.83 C ATOM 1105 CG LEU A 73 -11.379 6.498 0.102 1.00 0.79 C ATOM 1106 CD1 LEU A 73 -11.523 5.760 1.434 1.00 1.22 C ATOM 1107 CD2 LEU A 73 -10.170 7.434 0.161 1.00 0.97 C ATOM 0 H LEU A 73 -13.340 4.555 -0.337 1.00 0.63 H new ATOM 0 HA LEU A 73 -12.496 6.513 -2.423 1.00 0.68 H new ATOM 0 HB2 LEU A 73 -11.077 4.478 -0.604 1.00 0.83 H new ATOM 0 HB3 LEU A 73 -10.260 5.695 -1.564 1.00 0.83 H new ATOM 0 HG LEU A 73 -12.279 7.083 -0.088 1.00 0.79 H new ATOM 0 HD11 LEU A 73 -11.664 6.483 2.237 1.00 1.22 H new ATOM 0 HD12 LEU A 73 -12.385 5.094 1.390 1.00 1.22 H new ATOM 0 HD13 LEU A 73 -10.623 5.176 1.626 1.00 1.22 H new ATOM 0 HD21 LEU A 73 -10.311 8.160 0.962 1.00 0.97 H new ATOM 0 HD22 LEU A 73 -9.268 6.852 0.353 1.00 0.97 H new ATOM 0 HD23 LEU A 73 -10.068 7.957 -0.790 1.00 0.97 H new ATOM 1119 N ALA A 74 -12.272 3.270 -2.839 1.00 0.57 N ATOM 1120 CA ALA A 74 -12.093 2.247 -3.908 1.00 0.56 C ATOM 1121 C ALA A 74 -13.058 2.521 -5.063 1.00 0.59 C ATOM 1122 O ALA A 74 -12.652 2.697 -6.195 1.00 0.65 O ATOM 1123 CB ALA A 74 -12.420 0.912 -3.240 1.00 0.60 C ATOM 0 H ALA A 74 -12.463 2.896 -1.909 1.00 0.57 H new ATOM 0 HA ALA A 74 -11.086 2.255 -4.325 1.00 0.56 H new ATOM 0 HB1 ALA A 74 -12.311 0.106 -3.965 1.00 0.60 H new ATOM 0 HB2 ALA A 74 -11.737 0.745 -2.407 1.00 0.60 H new ATOM 0 HB3 ALA A 74 -13.445 0.931 -2.871 1.00 0.60 H new ATOM 1129 N GLN A 75 -14.333 2.559 -4.789 1.00 0.64 N ATOM 1130 CA GLN A 75 -15.319 2.824 -5.874 1.00 0.76 C ATOM 1131 C GLN A 75 -14.987 4.145 -6.571 1.00 0.78 C ATOM 1132 O GLN A 75 -15.357 4.368 -7.707 1.00 0.86 O ATOM 1133 CB GLN A 75 -16.673 2.911 -5.168 1.00 0.87 C ATOM 1134 CG GLN A 75 -17.053 1.536 -4.617 1.00 1.42 C ATOM 1135 CD GLN A 75 -18.553 1.506 -4.318 1.00 1.83 C ATOM 1136 OE1 GLN A 75 -19.181 2.539 -4.197 1.00 2.35 O ATOM 1137 NE2 GLN A 75 -19.159 0.357 -4.192 1.00 2.40 N ATOM 0 H GLN A 75 -14.734 2.418 -3.862 1.00 0.64 H new ATOM 0 HA GLN A 75 -15.312 2.049 -6.641 1.00 0.76 H new ATOM 0 HB2 GLN A 75 -16.626 3.638 -4.358 1.00 0.87 H new ATOM 0 HB3 GLN A 75 -17.436 3.259 -5.864 1.00 0.87 H new ATOM 0 HG2 GLN A 75 -16.799 0.760 -5.339 1.00 1.42 H new ATOM 0 HG3 GLN A 75 -16.486 1.326 -3.710 1.00 1.42 H new ATOM 0 HE21 GLN A 75 -18.633 -0.511 -4.293 1.00 2.40 H new ATOM 0 HE22 GLN A 75 -20.159 0.327 -3.992 1.00 2.40 H new ATOM 1146 N GLN A 76 -14.289 5.021 -5.901 1.00 0.76 N ATOM 1147 CA GLN A 76 -13.932 6.324 -6.529 1.00 0.84 C ATOM 1148 C GLN A 76 -12.913 6.103 -7.647 1.00 0.83 C ATOM 1149 O GLN A 76 -12.926 6.780 -8.656 1.00 0.94 O ATOM 1150 CB GLN A 76 -13.319 7.157 -5.402 1.00 0.89 C ATOM 1151 CG GLN A 76 -13.767 8.613 -5.546 1.00 1.14 C ATOM 1152 CD GLN A 76 -12.716 9.538 -4.930 1.00 1.49 C ATOM 1153 OE1 GLN A 76 -12.226 10.438 -5.583 1.00 2.20 O ATOM 1154 NE2 GLN A 76 -12.348 9.355 -3.691 1.00 1.97 N ATOM 0 H GLN A 76 -13.951 4.891 -4.947 1.00 0.76 H new ATOM 0 HA GLN A 76 -14.795 6.819 -6.974 1.00 0.84 H new ATOM 0 HB2 GLN A 76 -13.629 6.764 -4.434 1.00 0.89 H new ATOM 0 HB3 GLN A 76 -12.231 7.094 -5.438 1.00 0.89 H new ATOM 0 HG2 GLN A 76 -13.909 8.858 -6.599 1.00 1.14 H new ATOM 0 HG3 GLN A 76 -14.728 8.759 -5.053 1.00 1.14 H new ATOM 0 HE21 GLN A 76 -12.759 8.599 -3.143 1.00 1.97 H new ATOM 0 HE22 GLN A 76 -11.649 9.968 -3.271 1.00 1.97 H new ATOM 1163 N TYR A 77 -12.033 5.158 -7.477 1.00 0.74 N ATOM 1164 CA TYR A 77 -11.016 4.889 -8.529 1.00 0.81 C ATOM 1165 C TYR A 77 -11.550 3.860 -9.526 1.00 0.83 C ATOM 1166 O TYR A 77 -11.434 4.020 -10.724 1.00 1.00 O ATOM 1167 CB TYR A 77 -9.808 4.330 -7.777 1.00 0.80 C ATOM 1168 CG TYR A 77 -9.126 5.441 -7.015 1.00 0.81 C ATOM 1169 CD1 TYR A 77 -8.496 6.481 -7.709 1.00 1.42 C ATOM 1170 CD2 TYR A 77 -9.126 5.434 -5.615 1.00 1.18 C ATOM 1171 CE1 TYR A 77 -7.866 7.512 -7.003 1.00 1.56 C ATOM 1172 CE2 TYR A 77 -8.494 6.465 -4.908 1.00 1.19 C ATOM 1173 CZ TYR A 77 -7.862 7.501 -5.599 1.00 1.05 C ATOM 1174 OH TYR A 77 -7.241 8.521 -4.907 1.00 1.22 O ATOM 0 H TYR A 77 -11.974 4.559 -6.653 1.00 0.74 H new ATOM 0 HA TYR A 77 -10.763 5.783 -9.099 1.00 0.81 H new ATOM 0 HB2 TYR A 77 -10.126 3.546 -7.090 1.00 0.80 H new ATOM 0 HB3 TYR A 77 -9.109 3.875 -8.479 1.00 0.80 H new ATOM 0 HD1 TYR A 77 -8.496 6.488 -8.789 1.00 1.42 H new ATOM 0 HD2 TYR A 77 -9.614 4.633 -5.080 1.00 1.18 H new ATOM 0 HE1 TYR A 77 -7.383 8.316 -7.538 1.00 1.56 H new ATOM 0 HE2 TYR A 77 -8.496 6.459 -3.828 1.00 1.19 H new ATOM 0 HH TYR A 77 -6.792 8.154 -4.117 1.00 1.22 H new ATOM 1184 N GLY A 78 -12.132 2.803 -9.035 1.00 0.78 N ATOM 1185 CA GLY A 78 -12.675 1.757 -9.946 1.00 0.87 C ATOM 1186 C GLY A 78 -12.109 0.399 -9.535 1.00 0.88 C ATOM 1187 O GLY A 78 -11.677 -0.383 -10.360 1.00 1.52 O ATOM 0 H GLY A 78 -12.256 2.617 -8.040 1.00 0.78 H new ATOM 0 HA2 GLY A 78 -13.764 1.742 -9.896 1.00 0.87 H new ATOM 0 HA3 GLY A 78 -12.406 1.980 -10.979 1.00 0.87 H new ATOM 1191 N VAL A 79 -12.100 0.117 -8.263 1.00 0.80 N ATOM 1192 CA VAL A 79 -11.553 -1.184 -7.787 1.00 0.79 C ATOM 1193 C VAL A 79 -12.658 -2.244 -7.737 1.00 1.13 C ATOM 1194 O VAL A 79 -13.614 -2.125 -6.996 1.00 1.54 O ATOM 1195 CB VAL A 79 -11.020 -0.896 -6.381 1.00 0.76 C ATOM 1196 CG1 VAL A 79 -10.307 -2.136 -5.842 1.00 1.30 C ATOM 1197 CG2 VAL A 79 -10.032 0.274 -6.436 1.00 0.72 C ATOM 0 H VAL A 79 -12.449 0.734 -7.529 1.00 0.80 H new ATOM 0 HA VAL A 79 -10.778 -1.571 -8.448 1.00 0.79 H new ATOM 0 HB VAL A 79 -11.852 -0.639 -5.725 1.00 0.76 H new ATOM 0 HG11 VAL A 79 -9.927 -1.931 -4.841 1.00 1.30 H new ATOM 0 HG12 VAL A 79 -11.008 -2.970 -5.801 1.00 1.30 H new ATOM 0 HG13 VAL A 79 -9.476 -2.393 -6.499 1.00 1.30 H new ATOM 0 HG21 VAL A 79 -9.653 0.478 -5.434 1.00 0.72 H new ATOM 0 HG22 VAL A 79 -9.201 0.018 -7.093 1.00 0.72 H new ATOM 0 HG23 VAL A 79 -10.538 1.160 -6.820 1.00 0.72 H new ATOM 1207 N ARG A 80 -12.532 -3.282 -8.517 1.00 1.27 N ATOM 1208 CA ARG A 80 -13.571 -4.353 -8.513 1.00 1.72 C ATOM 1209 C ARG A 80 -12.902 -5.730 -8.553 1.00 1.38 C ATOM 1210 O ARG A 80 -13.475 -6.699 -9.010 1.00 1.87 O ATOM 1211 CB ARG A 80 -14.393 -4.117 -9.780 1.00 2.38 C ATOM 1212 CG ARG A 80 -13.468 -4.113 -10.999 1.00 2.85 C ATOM 1213 CD ARG A 80 -14.260 -3.694 -12.240 1.00 3.49 C ATOM 1214 NE ARG A 80 -13.676 -4.491 -13.354 1.00 4.06 N ATOM 1215 CZ ARG A 80 -13.550 -3.958 -14.540 1.00 4.70 C ATOM 1216 NH1 ARG A 80 -14.533 -4.031 -15.396 1.00 5.09 N ATOM 1217 NH2 ARG A 80 -12.442 -3.353 -14.870 1.00 5.25 N ATOM 0 H ARG A 80 -11.754 -3.436 -9.158 1.00 1.27 H new ATOM 0 HA ARG A 80 -14.192 -4.325 -7.618 1.00 1.72 H new ATOM 0 HB2 ARG A 80 -15.148 -4.896 -9.886 1.00 2.38 H new ATOM 0 HB3 ARG A 80 -14.923 -3.167 -9.710 1.00 2.38 H new ATOM 0 HG2 ARG A 80 -12.637 -3.427 -10.836 1.00 2.85 H new ATOM 0 HG3 ARG A 80 -13.039 -5.104 -11.146 1.00 2.85 H new ATOM 0 HD2 ARG A 80 -15.323 -3.903 -12.120 1.00 3.49 H new ATOM 0 HD3 ARG A 80 -14.165 -2.624 -12.427 1.00 3.49 H new ATOM 0 HE ARG A 80 -13.375 -5.452 -13.191 1.00 4.06 H new ATOM 0 HH11 ARG A 80 -15.399 -4.504 -15.139 1.00 5.09 H new ATOM 0 HH12 ARG A 80 -14.435 -3.615 -16.322 1.00 5.09 H new ATOM 0 HH21 ARG A 80 -11.673 -3.296 -14.202 1.00 5.25 H new ATOM 0 HH22 ARG A 80 -12.344 -2.937 -15.796 1.00 5.25 H new ATOM 1231 N GLY A 81 -11.691 -5.821 -8.075 1.00 0.87 N ATOM 1232 CA GLY A 81 -10.980 -7.129 -8.080 1.00 0.81 C ATOM 1233 C GLY A 81 -9.827 -7.078 -7.076 1.00 0.74 C ATOM 1234 O GLY A 81 -8.732 -6.660 -7.395 1.00 1.17 O ATOM 0 H GLY A 81 -11.163 -5.043 -7.680 1.00 0.87 H new ATOM 0 HA2 GLY A 81 -11.669 -7.932 -7.820 1.00 0.81 H new ATOM 0 HA3 GLY A 81 -10.600 -7.346 -9.078 1.00 0.81 H new ATOM 1238 N TYR A 82 -10.067 -7.492 -5.862 1.00 0.61 N ATOM 1239 CA TYR A 82 -8.985 -7.458 -4.834 1.00 0.52 C ATOM 1240 C TYR A 82 -8.049 -8.664 -5.019 1.00 0.54 C ATOM 1241 O TYR A 82 -8.443 -9.651 -5.609 1.00 0.61 O ATOM 1242 CB TYR A 82 -9.697 -7.541 -3.473 1.00 0.59 C ATOM 1243 CG TYR A 82 -10.890 -6.607 -3.438 1.00 0.61 C ATOM 1244 CD1 TYR A 82 -10.748 -5.273 -3.836 1.00 0.64 C ATOM 1245 CD2 TYR A 82 -12.137 -7.085 -3.016 1.00 0.97 C ATOM 1246 CE1 TYR A 82 -11.855 -4.415 -3.811 1.00 0.68 C ATOM 1247 CE2 TYR A 82 -13.242 -6.227 -2.990 1.00 1.04 C ATOM 1248 CZ TYR A 82 -13.102 -4.892 -3.388 1.00 0.75 C ATOM 1249 OH TYR A 82 -14.192 -4.046 -3.362 1.00 0.85 O ATOM 0 H TYR A 82 -10.964 -7.852 -5.536 1.00 0.61 H new ATOM 0 HA TYR A 82 -8.378 -6.556 -4.913 1.00 0.52 H new ATOM 0 HB2 TYR A 82 -10.024 -8.564 -3.289 1.00 0.59 H new ATOM 0 HB3 TYR A 82 -9.001 -7.281 -2.676 1.00 0.59 H new ATOM 0 HD1 TYR A 82 -9.786 -4.905 -4.162 1.00 0.64 H new ATOM 0 HD2 TYR A 82 -12.246 -8.115 -2.711 1.00 0.97 H new ATOM 0 HE1 TYR A 82 -11.747 -3.385 -4.118 1.00 0.68 H new ATOM 0 HE2 TYR A 82 -14.203 -6.595 -2.663 1.00 1.04 H new ATOM 0 HH TYR A 82 -14.979 -4.536 -3.045 1.00 0.85 H new ATOM 1259 N PRO A 83 -6.831 -8.562 -4.517 1.00 0.54 N ATOM 1260 CA PRO A 83 -6.361 -7.350 -3.796 1.00 0.51 C ATOM 1261 C PRO A 83 -5.835 -6.307 -4.789 1.00 0.51 C ATOM 1262 O PRO A 83 -4.979 -6.591 -5.604 1.00 0.63 O ATOM 1263 CB PRO A 83 -5.226 -7.876 -2.929 1.00 0.59 C ATOM 1264 CG PRO A 83 -4.715 -9.101 -3.630 1.00 0.66 C ATOM 1265 CD PRO A 83 -5.788 -9.588 -4.577 1.00 0.64 C ATOM 0 HA PRO A 83 -7.148 -6.860 -3.222 1.00 0.51 H new ATOM 0 HB2 PRO A 83 -4.439 -7.130 -2.820 1.00 0.59 H new ATOM 0 HB3 PRO A 83 -5.578 -8.117 -1.926 1.00 0.59 H new ATOM 0 HG2 PRO A 83 -3.801 -8.872 -4.178 1.00 0.66 H new ATOM 0 HG3 PRO A 83 -4.467 -9.877 -2.906 1.00 0.66 H new ATOM 0 HD2 PRO A 83 -5.401 -9.700 -5.590 1.00 0.64 H new ATOM 0 HD3 PRO A 83 -6.172 -10.562 -4.273 1.00 0.64 H new ATOM 1273 N THR A 84 -6.333 -5.103 -4.728 1.00 0.45 N ATOM 1274 CA THR A 84 -5.851 -4.048 -5.668 1.00 0.45 C ATOM 1275 C THR A 84 -4.790 -3.178 -4.988 1.00 0.43 C ATOM 1276 O THR A 84 -5.097 -2.183 -4.362 1.00 0.52 O ATOM 1277 CB THR A 84 -7.091 -3.218 -6.002 1.00 0.48 C ATOM 1278 OG1 THR A 84 -8.097 -4.066 -6.539 1.00 0.67 O ATOM 1279 CG2 THR A 84 -6.726 -2.143 -7.027 1.00 0.56 C ATOM 0 H THR A 84 -7.052 -4.803 -4.070 1.00 0.45 H new ATOM 0 HA THR A 84 -5.390 -4.470 -6.561 1.00 0.45 H new ATOM 0 HB THR A 84 -7.464 -2.741 -5.096 1.00 0.48 H new ATOM 0 HG1 THR A 84 -7.701 -4.928 -6.786 1.00 0.67 H new ATOM 0 HG21 THR A 84 -7.610 -1.552 -7.265 1.00 0.56 H new ATOM 0 HG22 THR A 84 -5.955 -1.493 -6.613 1.00 0.56 H new ATOM 0 HG23 THR A 84 -6.352 -2.617 -7.934 1.00 0.56 H new ATOM 1287 N ILE A 85 -3.541 -3.542 -5.108 1.00 0.41 N ATOM 1288 CA ILE A 85 -2.464 -2.733 -4.468 1.00 0.41 C ATOM 1289 C ILE A 85 -2.242 -1.434 -5.249 1.00 0.41 C ATOM 1290 O ILE A 85 -2.280 -1.417 -6.463 1.00 0.54 O ATOM 1291 CB ILE A 85 -1.215 -3.614 -4.531 1.00 0.50 C ATOM 1292 CG1 ILE A 85 -1.502 -4.954 -3.848 1.00 0.89 C ATOM 1293 CG2 ILE A 85 -0.060 -2.915 -3.815 1.00 0.80 C ATOM 1294 CD1 ILE A 85 -1.321 -6.089 -4.856 1.00 1.27 C ATOM 0 H ILE A 85 -3.221 -4.363 -5.621 1.00 0.41 H new ATOM 0 HA ILE A 85 -2.714 -2.451 -3.445 1.00 0.41 H new ATOM 0 HB ILE A 85 -0.945 -3.786 -5.573 1.00 0.50 H new ATOM 0 HG12 ILE A 85 -0.830 -5.094 -3.002 1.00 0.89 H new ATOM 0 HG13 ILE A 85 -2.518 -4.963 -3.453 1.00 0.89 H new ATOM 0 HG21 ILE A 85 0.830 -3.543 -3.860 1.00 0.80 H new ATOM 0 HG22 ILE A 85 0.145 -1.961 -4.300 1.00 0.80 H new ATOM 0 HG23 ILE A 85 -0.329 -2.742 -2.773 1.00 0.80 H new ATOM 0 HD11 ILE A 85 -1.525 -7.043 -4.370 1.00 1.27 H new ATOM 0 HD12 ILE A 85 -2.011 -5.950 -5.688 1.00 1.27 H new ATOM 0 HD13 ILE A 85 -0.297 -6.084 -5.230 1.00 1.27 H new ATOM 1306 N LYS A 86 -2.014 -0.346 -4.563 1.00 0.37 N ATOM 1307 CA LYS A 86 -1.792 0.947 -5.275 1.00 0.40 C ATOM 1308 C LYS A 86 -0.605 1.697 -4.660 1.00 0.38 C ATOM 1309 O LYS A 86 -0.397 1.677 -3.463 1.00 0.49 O ATOM 1310 CB LYS A 86 -3.088 1.735 -5.077 1.00 0.48 C ATOM 1311 CG LYS A 86 -3.643 2.154 -6.440 1.00 0.94 C ATOM 1312 CD LYS A 86 -4.952 1.407 -6.713 1.00 1.03 C ATOM 1313 CE LYS A 86 -6.007 2.396 -7.208 1.00 1.37 C ATOM 1314 NZ LYS A 86 -5.997 2.257 -8.692 1.00 1.73 N ATOM 0 H LYS A 86 -1.972 -0.296 -3.545 1.00 0.37 H new ATOM 0 HA LYS A 86 -1.560 0.802 -6.330 1.00 0.40 H new ATOM 0 HB2 LYS A 86 -3.819 1.125 -4.546 1.00 0.48 H new ATOM 0 HB3 LYS A 86 -2.901 2.615 -4.462 1.00 0.48 H new ATOM 0 HG2 LYS A 86 -3.816 3.230 -6.458 1.00 0.94 H new ATOM 0 HG3 LYS A 86 -2.917 1.934 -7.223 1.00 0.94 H new ATOM 0 HD2 LYS A 86 -4.790 0.628 -7.458 1.00 1.03 H new ATOM 0 HD3 LYS A 86 -5.298 0.913 -5.805 1.00 1.03 H new ATOM 0 HE2 LYS A 86 -6.989 2.165 -6.796 1.00 1.37 H new ATOM 0 HE3 LYS A 86 -5.766 3.415 -6.905 1.00 1.37 H new ATOM 0 HZ1 LYS A 86 -6.697 2.905 -9.106 1.00 1.73 H new ATOM 0 HZ2 LYS A 86 -5.051 2.490 -9.056 1.00 1.73 H new ATOM 0 HZ3 LYS A 86 -6.236 1.279 -8.951 1.00 1.73 H new ATOM 1328 N PHE A 87 0.175 2.359 -5.472 1.00 0.37 N ATOM 1329 CA PHE A 87 1.348 3.110 -4.937 1.00 0.36 C ATOM 1330 C PHE A 87 1.226 4.602 -5.273 1.00 0.33 C ATOM 1331 O PHE A 87 1.207 4.988 -6.425 1.00 0.37 O ATOM 1332 CB PHE A 87 2.562 2.496 -5.641 1.00 0.42 C ATOM 1333 CG PHE A 87 3.808 3.281 -5.296 1.00 0.46 C ATOM 1334 CD1 PHE A 87 4.081 3.614 -3.964 1.00 0.44 C ATOM 1335 CD2 PHE A 87 4.687 3.680 -6.309 1.00 0.81 C ATOM 1336 CE1 PHE A 87 5.232 4.344 -3.646 1.00 0.46 C ATOM 1337 CE2 PHE A 87 5.840 4.408 -5.992 1.00 0.97 C ATOM 1338 CZ PHE A 87 6.112 4.742 -4.659 1.00 0.72 C ATOM 0 H PHE A 87 0.051 2.412 -6.483 1.00 0.37 H new ATOM 0 HA PHE A 87 1.425 3.039 -3.852 1.00 0.36 H new ATOM 0 HB2 PHE A 87 2.681 1.456 -5.338 1.00 0.42 H new ATOM 0 HB3 PHE A 87 2.407 2.498 -6.720 1.00 0.42 H new ATOM 0 HD1 PHE A 87 3.403 3.307 -3.181 1.00 0.44 H new ATOM 0 HD2 PHE A 87 4.476 3.426 -7.337 1.00 0.81 H new ATOM 0 HE1 PHE A 87 5.441 4.600 -2.618 1.00 0.46 H new ATOM 0 HE2 PHE A 87 6.519 4.712 -6.775 1.00 0.97 H new ATOM 0 HZ PHE A 87 7.000 5.306 -4.413 1.00 0.72 H new ATOM 1348 N PHE A 88 1.148 5.442 -4.276 1.00 0.33 N ATOM 1349 CA PHE A 88 1.036 6.904 -4.544 1.00 0.35 C ATOM 1350 C PHE A 88 2.352 7.604 -4.189 1.00 0.42 C ATOM 1351 O PHE A 88 3.022 7.240 -3.243 1.00 0.61 O ATOM 1352 CB PHE A 88 -0.093 7.383 -3.634 1.00 0.39 C ATOM 1353 CG PHE A 88 -1.424 7.093 -4.286 1.00 0.42 C ATOM 1354 CD1 PHE A 88 -1.980 8.011 -5.184 1.00 0.54 C ATOM 1355 CD2 PHE A 88 -2.102 5.904 -3.990 1.00 0.63 C ATOM 1356 CE1 PHE A 88 -3.214 7.741 -5.787 1.00 0.62 C ATOM 1357 CE2 PHE A 88 -3.337 5.635 -4.593 1.00 0.73 C ATOM 1358 CZ PHE A 88 -3.893 6.553 -5.492 1.00 0.62 C ATOM 0 H PHE A 88 1.157 5.180 -3.290 1.00 0.33 H new ATOM 0 HA PHE A 88 0.833 7.123 -5.592 1.00 0.35 H new ATOM 0 HB2 PHE A 88 -0.033 6.882 -2.668 1.00 0.39 H new ATOM 0 HB3 PHE A 88 0.006 8.452 -3.446 1.00 0.39 H new ATOM 0 HD1 PHE A 88 -1.457 8.928 -5.412 1.00 0.54 H new ATOM 0 HD2 PHE A 88 -1.673 5.195 -3.297 1.00 0.63 H new ATOM 0 HE1 PHE A 88 -3.642 8.450 -6.480 1.00 0.62 H new ATOM 0 HE2 PHE A 88 -3.861 4.719 -4.364 1.00 0.73 H new ATOM 0 HZ PHE A 88 -4.845 6.345 -5.958 1.00 0.62 H new ATOM 1368 N ARG A 89 2.730 8.604 -4.939 1.00 0.47 N ATOM 1369 CA ARG A 89 4.007 9.316 -4.639 1.00 0.55 C ATOM 1370 C ARG A 89 3.737 10.786 -4.302 1.00 0.64 C ATOM 1371 O ARG A 89 3.270 11.548 -5.125 1.00 1.05 O ATOM 1372 CB ARG A 89 4.837 9.201 -5.920 1.00 0.73 C ATOM 1373 CG ARG A 89 6.165 9.938 -5.736 1.00 1.15 C ATOM 1374 CD ARG A 89 6.135 11.249 -6.524 1.00 1.42 C ATOM 1375 NE ARG A 89 7.048 11.025 -7.681 1.00 1.73 N ATOM 1376 CZ ARG A 89 7.494 12.042 -8.368 1.00 2.07 C ATOM 1377 NH1 ARG A 89 6.722 12.624 -9.245 1.00 2.56 N ATOM 1378 NH2 ARG A 89 8.709 12.476 -8.177 1.00 2.43 N ATOM 0 H ARG A 89 2.213 8.958 -5.744 1.00 0.47 H new ATOM 0 HA ARG A 89 4.522 8.888 -3.779 1.00 0.55 H new ATOM 0 HB2 ARG A 89 5.020 8.152 -6.154 1.00 0.73 H new ATOM 0 HB3 ARG A 89 4.288 9.624 -6.761 1.00 0.73 H new ATOM 0 HG2 ARG A 89 6.337 10.141 -4.679 1.00 1.15 H new ATOM 0 HG3 ARG A 89 6.990 9.314 -6.079 1.00 1.15 H new ATOM 0 HD2 ARG A 89 5.125 11.485 -6.858 1.00 1.42 H new ATOM 0 HD3 ARG A 89 6.472 12.085 -5.912 1.00 1.42 H new ATOM 0 HE ARG A 89 7.324 10.077 -7.936 1.00 1.73 H new ATOM 0 HH11 ARG A 89 5.772 12.284 -9.393 1.00 2.56 H new ATOM 0 HH12 ARG A 89 7.069 13.419 -9.782 1.00 2.56 H new ATOM 0 HH21 ARG A 89 9.311 12.021 -7.491 1.00 2.43 H new ATOM 0 HH22 ARG A 89 9.057 13.270 -8.714 1.00 2.43 H new ATOM 1392 N ASN A 90 4.034 11.187 -3.096 1.00 0.57 N ATOM 1393 CA ASN A 90 3.806 12.608 -2.692 1.00 0.68 C ATOM 1394 C ASN A 90 2.393 13.063 -3.075 1.00 0.69 C ATOM 1395 O ASN A 90 2.191 14.173 -3.525 1.00 0.98 O ATOM 1396 CB ASN A 90 4.855 13.409 -3.462 1.00 0.87 C ATOM 1397 CG ASN A 90 4.869 14.851 -2.951 1.00 1.10 C ATOM 1398 OD1 ASN A 90 4.788 15.087 -1.761 1.00 1.65 O ATOM 1399 ND2 ASN A 90 4.968 15.833 -3.804 1.00 1.74 N ATOM 0 H ASN A 90 4.427 10.590 -2.368 1.00 0.57 H new ATOM 0 HA ASN A 90 3.893 12.744 -1.614 1.00 0.68 H new ATOM 0 HB2 ASN A 90 5.839 12.957 -3.335 1.00 0.87 H new ATOM 0 HB3 ASN A 90 4.631 13.392 -4.529 1.00 0.87 H new ATOM 0 HD21 ASN A 90 4.977 16.798 -3.472 1.00 1.74 H new ATOM 0 HD22 ASN A 90 5.036 15.636 -4.803 1.00 1.74 H new ATOM 1406 N GLY A 91 1.415 12.220 -2.891 1.00 0.65 N ATOM 1407 CA GLY A 91 0.020 12.610 -3.236 1.00 0.75 C ATOM 1408 C GLY A 91 -0.136 12.700 -4.754 1.00 0.79 C ATOM 1409 O GLY A 91 0.254 13.671 -5.373 1.00 1.19 O ATOM 0 H GLY A 91 1.522 11.277 -2.516 1.00 0.65 H new ATOM 0 HA2 GLY A 91 -0.681 11.879 -2.833 1.00 0.75 H new ATOM 0 HA3 GLY A 91 -0.222 13.570 -2.780 1.00 0.75 H new ATOM 1413 N ASP A 92 -0.711 11.697 -5.355 1.00 0.90 N ATOM 1414 CA ASP A 92 -0.903 11.723 -6.832 1.00 1.27 C ATOM 1415 C ASP A 92 -2.395 11.804 -7.166 1.00 1.14 C ATOM 1416 O ASP A 92 -2.831 12.696 -7.866 1.00 1.70 O ATOM 1417 CB ASP A 92 -0.310 10.406 -7.333 1.00 1.93 C ATOM 1418 CG ASP A 92 0.090 10.556 -8.802 1.00 2.15 C ATOM 1419 OD1 ASP A 92 -0.776 10.410 -9.649 1.00 2.68 O ATOM 1420 OD2 ASP A 92 1.256 10.813 -9.056 1.00 2.41 O ATOM 0 H ASP A 92 -1.057 10.859 -4.887 1.00 0.90 H new ATOM 0 HA ASP A 92 -0.425 12.585 -7.297 1.00 1.27 H new ATOM 0 HB2 ASP A 92 0.559 10.134 -6.734 1.00 1.93 H new ATOM 0 HB3 ASP A 92 -1.037 9.602 -7.223 1.00 1.93 H new ATOM 1425 N THR A 93 -3.177 10.879 -6.661 1.00 0.96 N ATOM 1426 CA THR A 93 -4.653 10.882 -6.932 1.00 1.33 C ATOM 1427 C THR A 93 -4.948 11.203 -8.404 1.00 1.26 C ATOM 1428 O THR A 93 -5.750 12.062 -8.712 1.00 1.90 O ATOM 1429 CB THR A 93 -5.233 11.969 -6.021 1.00 1.74 C ATOM 1430 OG1 THR A 93 -4.432 13.140 -6.099 1.00 2.10 O ATOM 1431 CG2 THR A 93 -5.264 11.464 -4.577 1.00 1.92 C ATOM 0 H THR A 93 -2.854 10.115 -6.067 1.00 0.96 H new ATOM 0 HA THR A 93 -5.093 9.904 -6.736 1.00 1.33 H new ATOM 0 HB THR A 93 -6.247 12.206 -6.345 1.00 1.74 H new ATOM 0 HG1 THR A 93 -4.193 13.311 -7.034 1.00 2.10 H new ATOM 0 HG21 THR A 93 -5.677 12.238 -3.930 1.00 1.92 H new ATOM 0 HG22 THR A 93 -5.886 10.571 -4.517 1.00 1.92 H new ATOM 0 HG23 THR A 93 -4.251 11.223 -4.254 1.00 1.92 H new ATOM 1439 N ALA A 94 -4.305 10.523 -9.312 1.00 1.18 N ATOM 1440 CA ALA A 94 -4.551 10.795 -10.757 1.00 1.18 C ATOM 1441 C ALA A 94 -3.830 9.762 -11.622 1.00 1.14 C ATOM 1442 O ALA A 94 -4.444 8.992 -12.333 1.00 1.48 O ATOM 1443 CB ALA A 94 -3.981 12.193 -10.999 1.00 1.24 C ATOM 0 H ALA A 94 -3.621 9.792 -9.117 1.00 1.18 H new ATOM 0 HA ALA A 94 -5.609 10.736 -11.014 1.00 1.18 H new ATOM 0 HB1 ALA A 94 -4.123 12.468 -12.044 1.00 1.24 H new ATOM 0 HB2 ALA A 94 -4.496 12.911 -10.361 1.00 1.24 H new ATOM 0 HB3 ALA A 94 -2.917 12.198 -10.765 1.00 1.24 H new ATOM 1449 N SER A 95 -2.528 9.743 -11.568 1.00 1.20 N ATOM 1450 CA SER A 95 -1.760 8.763 -12.389 1.00 1.22 C ATOM 1451 C SER A 95 -0.841 7.920 -11.493 1.00 0.98 C ATOM 1452 O SER A 95 0.363 7.934 -11.662 1.00 0.98 O ATOM 1453 CB SER A 95 -0.934 9.616 -13.352 1.00 1.48 C ATOM 1454 OG SER A 95 -0.084 10.477 -12.611 1.00 2.01 O ATOM 0 H SER A 95 -1.961 10.364 -10.991 1.00 1.20 H new ATOM 0 HA SER A 95 -2.412 8.067 -12.916 1.00 1.22 H new ATOM 0 HB2 SER A 95 -0.341 8.976 -14.005 1.00 1.48 H new ATOM 0 HB3 SER A 95 -1.593 10.202 -13.993 1.00 1.48 H new ATOM 0 HG SER A 95 0.542 9.941 -12.080 1.00 2.01 H new ATOM 1460 N PRO A 96 -1.438 7.208 -10.567 1.00 0.87 N ATOM 1461 CA PRO A 96 -0.648 6.355 -9.644 1.00 0.72 C ATOM 1462 C PRO A 96 -0.115 5.121 -10.380 1.00 0.65 C ATOM 1463 O PRO A 96 -0.490 4.847 -11.503 1.00 0.79 O ATOM 1464 CB PRO A 96 -1.657 5.950 -8.574 1.00 0.79 C ATOM 1465 CG PRO A 96 -2.992 6.055 -9.243 1.00 0.97 C ATOM 1466 CD PRO A 96 -2.881 7.129 -10.293 1.00 1.02 C ATOM 0 HA PRO A 96 0.222 6.866 -9.232 1.00 0.72 H new ATOM 0 HB2 PRO A 96 -1.471 4.936 -8.220 1.00 0.79 H new ATOM 0 HB3 PRO A 96 -1.597 6.607 -7.706 1.00 0.79 H new ATOM 0 HG2 PRO A 96 -3.272 5.103 -9.694 1.00 0.97 H new ATOM 0 HG3 PRO A 96 -3.767 6.304 -8.518 1.00 0.97 H new ATOM 0 HD2 PRO A 96 -3.444 6.871 -11.190 1.00 1.02 H new ATOM 0 HD3 PRO A 96 -3.272 8.081 -9.934 1.00 1.02 H new ATOM 1474 N LYS A 97 0.755 4.374 -9.755 1.00 0.55 N ATOM 1475 CA LYS A 97 1.310 3.159 -10.419 1.00 0.57 C ATOM 1476 C LYS A 97 0.871 1.898 -9.667 1.00 0.53 C ATOM 1477 O LYS A 97 0.779 1.889 -8.457 1.00 0.89 O ATOM 1478 CB LYS A 97 2.830 3.324 -10.345 1.00 0.68 C ATOM 1479 CG LYS A 97 3.355 3.835 -11.688 1.00 0.85 C ATOM 1480 CD LYS A 97 3.568 2.655 -12.640 1.00 1.63 C ATOM 1481 CE LYS A 97 4.507 3.075 -13.773 1.00 2.05 C ATOM 1482 NZ LYS A 97 3.916 2.482 -15.005 1.00 2.61 N ATOM 0 H LYS A 97 1.105 4.552 -8.814 1.00 0.55 H new ATOM 0 HA LYS A 97 0.961 3.055 -11.446 1.00 0.57 H new ATOM 0 HB2 LYS A 97 3.092 4.023 -9.551 1.00 0.68 H new ATOM 0 HB3 LYS A 97 3.298 2.371 -10.099 1.00 0.68 H new ATOM 0 HG2 LYS A 97 2.647 4.541 -12.121 1.00 0.85 H new ATOM 0 HG3 LYS A 97 4.293 4.372 -11.543 1.00 0.85 H new ATOM 0 HD2 LYS A 97 3.991 1.809 -12.098 1.00 1.63 H new ATOM 0 HD3 LYS A 97 2.612 2.327 -13.049 1.00 1.63 H new ATOM 0 HE2 LYS A 97 4.572 4.160 -13.850 1.00 2.05 H new ATOM 0 HE3 LYS A 97 5.519 2.706 -13.604 1.00 2.05 H new ATOM 0 HZ1 LYS A 97 4.506 2.727 -15.826 1.00 2.61 H new ATOM 0 HZ2 LYS A 97 3.873 1.448 -14.906 1.00 2.61 H new ATOM 0 HZ3 LYS A 97 2.956 2.856 -15.144 1.00 2.61 H new ATOM 1496 N GLU A 98 0.602 0.834 -10.375 1.00 0.51 N ATOM 1497 CA GLU A 98 0.171 -0.423 -9.696 1.00 0.48 C ATOM 1498 C GLU A 98 1.382 -1.323 -9.431 1.00 0.45 C ATOM 1499 O GLU A 98 2.424 -1.172 -10.038 1.00 0.61 O ATOM 1500 CB GLU A 98 -0.791 -1.094 -10.678 1.00 0.61 C ATOM 1501 CG GLU A 98 -0.056 -1.398 -11.985 1.00 1.33 C ATOM 1502 CD GLU A 98 -0.533 -0.436 -13.074 1.00 2.10 C ATOM 1503 OE1 GLU A 98 -0.215 0.738 -12.981 1.00 2.79 O ATOM 1504 OE2 GLU A 98 -1.209 -0.888 -13.983 1.00 2.61 O ATOM 0 H GLU A 98 0.662 0.780 -11.392 1.00 0.51 H new ATOM 0 HA GLU A 98 -0.299 -0.231 -8.732 1.00 0.48 H new ATOM 0 HB2 GLU A 98 -1.184 -2.015 -10.247 1.00 0.61 H new ATOM 0 HB3 GLU A 98 -1.644 -0.443 -10.871 1.00 0.61 H new ATOM 0 HG2 GLU A 98 1.020 -1.297 -11.842 1.00 1.33 H new ATOM 0 HG3 GLU A 98 -0.242 -2.428 -12.288 1.00 1.33 H new ATOM 1511 N TYR A 99 1.253 -2.259 -8.529 1.00 0.45 N ATOM 1512 CA TYR A 99 2.398 -3.166 -8.228 1.00 0.46 C ATOM 1513 C TYR A 99 2.416 -4.341 -9.210 1.00 0.53 C ATOM 1514 O TYR A 99 1.432 -5.031 -9.384 1.00 0.67 O ATOM 1515 CB TYR A 99 2.153 -3.662 -6.803 1.00 0.52 C ATOM 1516 CG TYR A 99 3.424 -3.518 -6.000 1.00 0.64 C ATOM 1517 CD1 TYR A 99 4.619 -4.073 -6.474 1.00 1.20 C ATOM 1518 CD2 TYR A 99 3.405 -2.835 -4.777 1.00 1.58 C ATOM 1519 CE1 TYR A 99 5.795 -3.943 -5.726 1.00 1.49 C ATOM 1520 CE2 TYR A 99 4.582 -2.708 -4.029 1.00 2.05 C ATOM 1521 CZ TYR A 99 5.783 -3.240 -4.520 1.00 1.70 C ATOM 1522 OH TYR A 99 6.931 -3.144 -3.762 1.00 2.27 O ATOM 0 H TYR A 99 0.406 -2.434 -7.989 1.00 0.45 H new ATOM 0 HA TYR A 99 3.358 -2.659 -8.321 1.00 0.46 H new ATOM 0 HB2 TYR A 99 1.349 -3.090 -6.339 1.00 0.52 H new ATOM 0 HB3 TYR A 99 1.835 -4.704 -6.818 1.00 0.52 H new ATOM 0 HD1 TYR A 99 4.633 -4.601 -7.416 1.00 1.20 H new ATOM 0 HD2 TYR A 99 2.483 -2.407 -4.411 1.00 1.58 H new ATOM 0 HE1 TYR A 99 6.713 -4.387 -6.082 1.00 1.49 H new ATOM 0 HE2 TYR A 99 4.565 -2.201 -3.075 1.00 2.05 H new ATOM 0 HH TYR A 99 7.176 -2.201 -3.657 1.00 2.27 H new ATOM 1532 N THR A 100 3.530 -4.573 -9.851 1.00 0.60 N ATOM 1533 CA THR A 100 3.612 -5.703 -10.821 1.00 0.72 C ATOM 1534 C THR A 100 4.187 -6.950 -10.140 1.00 0.83 C ATOM 1535 O THR A 100 4.653 -7.864 -10.791 1.00 1.71 O ATOM 1536 CB THR A 100 4.553 -5.210 -11.921 1.00 0.93 C ATOM 1537 OG1 THR A 100 5.818 -4.900 -11.356 1.00 1.36 O ATOM 1538 CG2 THR A 100 3.964 -3.960 -12.576 1.00 1.13 C ATOM 0 H THR A 100 4.386 -4.029 -9.745 1.00 0.60 H new ATOM 0 HA THR A 100 2.634 -5.982 -11.213 1.00 0.72 H new ATOM 0 HB THR A 100 4.673 -5.989 -12.674 1.00 0.93 H new ATOM 0 HG1 THR A 100 6.423 -4.585 -12.060 1.00 1.36 H new ATOM 0 HG21 THR A 100 4.635 -3.609 -13.360 1.00 1.13 H new ATOM 0 HG22 THR A 100 2.993 -4.200 -13.010 1.00 1.13 H new ATOM 0 HG23 THR A 100 3.843 -3.179 -11.826 1.00 1.13 H new ATOM 1546 N ALA A 101 4.159 -6.996 -8.835 1.00 0.83 N ATOM 1547 CA ALA A 101 4.705 -8.186 -8.119 1.00 1.01 C ATOM 1548 C ALA A 101 3.587 -8.910 -7.364 1.00 1.36 C ATOM 1549 O ALA A 101 2.418 -8.663 -7.583 1.00 1.98 O ATOM 1550 CB ALA A 101 5.734 -7.622 -7.139 1.00 0.87 C ATOM 0 H ALA A 101 3.782 -6.263 -8.234 1.00 0.83 H new ATOM 0 HA ALA A 101 5.147 -8.911 -8.803 1.00 1.01 H new ATOM 0 HB1 ALA A 101 6.182 -8.438 -6.572 1.00 0.87 H new ATOM 0 HB2 ALA A 101 6.511 -7.094 -7.691 1.00 0.87 H new ATOM 0 HB3 ALA A 101 5.243 -6.931 -6.454 1.00 0.87 H new ATOM 1556 N GLY A 102 3.936 -9.802 -6.477 1.00 1.17 N ATOM 1557 CA GLY A 102 2.891 -10.538 -5.711 1.00 1.71 C ATOM 1558 C GLY A 102 3.369 -11.964 -5.428 1.00 1.08 C ATOM 1559 O GLY A 102 3.081 -12.884 -6.167 1.00 1.27 O ATOM 0 H GLY A 102 4.898 -10.052 -6.250 1.00 1.17 H new ATOM 0 HA2 GLY A 102 2.681 -10.022 -4.774 1.00 1.71 H new ATOM 0 HA3 GLY A 102 1.960 -10.562 -6.277 1.00 1.71 H new ATOM 1563 N ARG A 103 4.097 -12.154 -4.361 1.00 0.90 N ATOM 1564 CA ARG A 103 4.592 -13.522 -4.030 1.00 1.11 C ATOM 1565 C ARG A 103 5.209 -13.535 -2.630 1.00 0.94 C ATOM 1566 O ARG A 103 5.058 -14.480 -1.883 1.00 1.04 O ATOM 1567 CB ARG A 103 5.654 -13.826 -5.088 1.00 1.71 C ATOM 1568 CG ARG A 103 5.308 -15.137 -5.798 1.00 2.44 C ATOM 1569 CD ARG A 103 6.311 -16.219 -5.390 1.00 3.16 C ATOM 1570 NE ARG A 103 6.421 -17.106 -6.582 1.00 3.73 N ATOM 1571 CZ ARG A 103 5.525 -18.031 -6.792 1.00 4.34 C ATOM 1572 NH1 ARG A 103 5.396 -19.019 -5.949 1.00 4.84 N ATOM 1573 NH2 ARG A 103 4.759 -17.968 -7.847 1.00 4.81 N ATOM 0 H ARG A 103 4.370 -11.423 -3.705 1.00 0.90 H new ATOM 0 HA ARG A 103 3.793 -14.263 -4.032 1.00 1.11 H new ATOM 0 HB2 ARG A 103 5.706 -13.012 -5.811 1.00 1.71 H new ATOM 0 HB3 ARG A 103 6.636 -13.901 -4.621 1.00 1.71 H new ATOM 0 HG2 ARG A 103 4.296 -15.448 -5.538 1.00 2.44 H new ATOM 0 HG3 ARG A 103 5.330 -14.995 -6.878 1.00 2.44 H new ATOM 0 HD2 ARG A 103 7.276 -15.785 -5.129 1.00 3.16 H new ATOM 0 HD3 ARG A 103 5.964 -16.771 -4.517 1.00 3.16 H new ATOM 0 HE ARG A 103 7.197 -16.990 -7.234 1.00 3.73 H new ATOM 0 HH11 ARG A 103 5.996 -19.068 -5.125 1.00 4.84 H new ATOM 0 HH12 ARG A 103 4.695 -19.742 -6.114 1.00 4.84 H new ATOM 0 HH21 ARG A 103 4.861 -17.196 -8.506 1.00 4.81 H new ATOM 0 HH22 ARG A 103 4.058 -18.690 -8.012 1.00 4.81 H new ATOM 1587 N GLU A 104 5.903 -12.492 -2.273 1.00 0.75 N ATOM 1588 CA GLU A 104 6.530 -12.441 -0.922 1.00 0.66 C ATOM 1589 C GLU A 104 7.071 -11.036 -0.643 1.00 0.56 C ATOM 1590 O GLU A 104 7.321 -10.265 -1.549 1.00 0.57 O ATOM 1591 CB GLU A 104 7.672 -13.455 -0.977 1.00 0.79 C ATOM 1592 CG GLU A 104 8.610 -13.104 -2.134 1.00 1.59 C ATOM 1593 CD GLU A 104 9.813 -14.049 -2.118 1.00 1.87 C ATOM 1594 OE1 GLU A 104 10.502 -14.084 -1.111 1.00 2.51 O ATOM 1595 OE2 GLU A 104 10.025 -14.722 -3.113 1.00 2.04 O ATOM 0 H GLU A 104 6.064 -11.672 -2.858 1.00 0.75 H new ATOM 0 HA GLU A 104 5.820 -12.671 -0.128 1.00 0.66 H new ATOM 0 HB2 GLU A 104 8.221 -13.452 -0.036 1.00 0.79 H new ATOM 0 HB3 GLU A 104 7.274 -14.461 -1.110 1.00 0.79 H new ATOM 0 HG2 GLU A 104 8.081 -13.187 -3.083 1.00 1.59 H new ATOM 0 HG3 GLU A 104 8.944 -12.070 -2.045 1.00 1.59 H new ATOM 1602 N ALA A 105 7.257 -10.697 0.606 1.00 0.50 N ATOM 1603 CA ALA A 105 7.786 -9.340 0.945 1.00 0.44 C ATOM 1604 C ALA A 105 9.018 -9.007 0.094 1.00 0.45 C ATOM 1605 O ALA A 105 9.333 -7.857 -0.136 1.00 0.47 O ATOM 1606 CB ALA A 105 8.167 -9.425 2.424 1.00 0.47 C ATOM 0 H ALA A 105 7.066 -11.300 1.406 1.00 0.50 H new ATOM 0 HA ALA A 105 7.053 -8.557 0.750 1.00 0.44 H new ATOM 0 HB1 ALA A 105 8.566 -8.465 2.753 1.00 0.47 H new ATOM 0 HB2 ALA A 105 7.284 -9.672 3.014 1.00 0.47 H new ATOM 0 HB3 ALA A 105 8.923 -10.198 2.561 1.00 0.47 H new ATOM 1612 N ASP A 106 9.720 -10.005 -0.370 1.00 0.51 N ATOM 1613 CA ASP A 106 10.933 -9.746 -1.200 1.00 0.56 C ATOM 1614 C ASP A 106 10.534 -9.213 -2.580 1.00 0.54 C ATOM 1615 O ASP A 106 11.312 -8.563 -3.251 1.00 0.64 O ATOM 1616 CB ASP A 106 11.621 -11.105 -1.329 1.00 0.67 C ATOM 1617 CG ASP A 106 12.673 -11.251 -0.228 1.00 1.18 C ATOM 1618 OD1 ASP A 106 12.488 -10.658 0.823 1.00 1.82 O ATOM 1619 OD2 ASP A 106 13.645 -11.952 -0.454 1.00 2.02 O ATOM 0 H ASP A 106 9.506 -10.990 -0.210 1.00 0.51 H new ATOM 0 HA ASP A 106 11.586 -8.997 -0.751 1.00 0.56 H new ATOM 0 HB2 ASP A 106 10.885 -11.906 -1.252 1.00 0.67 H new ATOM 0 HB3 ASP A 106 12.090 -11.196 -2.309 1.00 0.67 H new ATOM 1624 N ASP A 107 9.332 -9.480 -3.009 1.00 0.50 N ATOM 1625 CA ASP A 107 8.892 -8.984 -4.346 1.00 0.52 C ATOM 1626 C ASP A 107 8.529 -7.500 -4.259 1.00 0.51 C ATOM 1627 O ASP A 107 8.585 -6.777 -5.235 1.00 0.63 O ATOM 1628 CB ASP A 107 7.659 -9.819 -4.695 1.00 0.55 C ATOM 1629 CG ASP A 107 8.022 -10.845 -5.770 1.00 0.76 C ATOM 1630 OD1 ASP A 107 8.532 -11.894 -5.412 1.00 1.39 O ATOM 1631 OD2 ASP A 107 7.784 -10.563 -6.933 1.00 1.41 O ATOM 0 H ASP A 107 8.636 -10.019 -2.494 1.00 0.50 H new ATOM 0 HA ASP A 107 9.672 -9.079 -5.101 1.00 0.52 H new ATOM 0 HB2 ASP A 107 7.287 -10.326 -3.805 1.00 0.55 H new ATOM 0 HB3 ASP A 107 6.858 -9.172 -5.052 1.00 0.55 H new ATOM 1636 N ILE A 108 8.156 -7.043 -3.097 1.00 0.46 N ATOM 1637 CA ILE A 108 7.787 -5.609 -2.939 1.00 0.52 C ATOM 1638 C ILE A 108 9.034 -4.777 -2.618 1.00 0.50 C ATOM 1639 O ILE A 108 9.186 -3.667 -3.085 1.00 0.52 O ATOM 1640 CB ILE A 108 6.794 -5.592 -1.773 1.00 0.60 C ATOM 1641 CG1 ILE A 108 5.527 -6.348 -2.188 1.00 0.73 C ATOM 1642 CG2 ILE A 108 6.434 -4.147 -1.407 1.00 0.67 C ATOM 1643 CD1 ILE A 108 4.485 -6.269 -1.071 1.00 0.68 C ATOM 0 H ILE A 108 8.091 -7.603 -2.247 1.00 0.46 H new ATOM 0 HA ILE A 108 7.355 -5.181 -3.844 1.00 0.52 H new ATOM 0 HB ILE A 108 7.246 -6.071 -0.905 1.00 0.60 H new ATOM 0 HG12 ILE A 108 5.122 -5.921 -3.106 1.00 0.73 H new ATOM 0 HG13 ILE A 108 5.767 -7.390 -2.400 1.00 0.73 H new ATOM 0 HG21 ILE A 108 5.727 -4.147 -0.577 1.00 0.67 H new ATOM 0 HG22 ILE A 108 7.337 -3.610 -1.115 1.00 0.67 H new ATOM 0 HG23 ILE A 108 5.982 -3.655 -2.268 1.00 0.67 H new ATOM 0 HD11 ILE A 108 3.587 -6.808 -1.372 1.00 0.68 H new ATOM 0 HD12 ILE A 108 4.890 -6.717 -0.163 1.00 0.68 H new ATOM 0 HD13 ILE A 108 4.235 -5.225 -0.880 1.00 0.68 H new ATOM 1655 N VAL A 109 9.929 -5.304 -1.830 1.00 0.51 N ATOM 1656 CA VAL A 109 11.160 -4.535 -1.491 1.00 0.56 C ATOM 1657 C VAL A 109 11.884 -4.112 -2.772 1.00 0.51 C ATOM 1658 O VAL A 109 12.347 -2.996 -2.894 1.00 0.55 O ATOM 1659 CB VAL A 109 12.025 -5.500 -0.681 1.00 0.67 C ATOM 1660 CG1 VAL A 109 13.361 -4.830 -0.351 1.00 0.81 C ATOM 1661 CG2 VAL A 109 11.303 -5.866 0.617 1.00 0.86 C ATOM 0 H VAL A 109 9.863 -6.230 -1.407 1.00 0.51 H new ATOM 0 HA VAL A 109 10.938 -3.625 -0.933 1.00 0.56 H new ATOM 0 HB VAL A 109 12.205 -6.404 -1.263 1.00 0.67 H new ATOM 0 HG11 VAL A 109 13.980 -5.517 0.227 1.00 0.81 H new ATOM 0 HG12 VAL A 109 13.875 -4.569 -1.276 1.00 0.81 H new ATOM 0 HG13 VAL A 109 13.181 -3.926 0.231 1.00 0.81 H new ATOM 0 HG21 VAL A 109 11.920 -6.554 1.195 1.00 0.86 H new ATOM 0 HG22 VAL A 109 11.123 -4.963 1.200 1.00 0.86 H new ATOM 0 HG23 VAL A 109 10.351 -6.342 0.382 1.00 0.86 H new ATOM 1671 N ASN A 110 11.984 -4.996 -3.727 1.00 0.50 N ATOM 1672 CA ASN A 110 12.679 -4.641 -4.998 1.00 0.52 C ATOM 1673 C ASN A 110 12.057 -3.384 -5.604 1.00 0.50 C ATOM 1674 O ASN A 110 12.738 -2.423 -5.902 1.00 0.59 O ATOM 1675 CB ASN A 110 12.470 -5.843 -5.920 1.00 0.59 C ATOM 1676 CG ASN A 110 13.673 -6.783 -5.811 1.00 0.98 C ATOM 1677 OD1 ASN A 110 14.522 -6.805 -6.679 1.00 1.65 O ATOM 1678 ND2 ASN A 110 13.782 -7.565 -4.772 1.00 1.29 N ATOM 0 H ASN A 110 11.616 -5.946 -3.683 1.00 0.50 H new ATOM 0 HA ASN A 110 13.737 -4.430 -4.844 1.00 0.52 H new ATOM 0 HB2 ASN A 110 11.556 -6.371 -5.646 1.00 0.59 H new ATOM 0 HB3 ASN A 110 12.348 -5.508 -6.950 1.00 0.59 H new ATOM 0 HD21 ASN A 110 14.580 -8.195 -4.689 1.00 1.29 H new ATOM 0 HD22 ASN A 110 13.069 -7.547 -4.043 1.00 1.29 H new ATOM 1685 N TRP A 111 10.768 -3.382 -5.786 1.00 0.46 N ATOM 1686 CA TRP A 111 10.104 -2.183 -6.370 1.00 0.51 C ATOM 1687 C TRP A 111 10.407 -0.953 -5.517 1.00 0.55 C ATOM 1688 O TRP A 111 10.695 0.114 -6.023 1.00 0.66 O ATOM 1689 CB TRP A 111 8.611 -2.506 -6.341 1.00 0.55 C ATOM 1690 CG TRP A 111 8.010 -2.188 -7.671 1.00 0.58 C ATOM 1691 CD1 TRP A 111 7.983 -3.027 -8.732 1.00 0.73 C ATOM 1692 CD2 TRP A 111 7.349 -0.963 -8.101 1.00 0.69 C ATOM 1693 NE1 TRP A 111 7.349 -2.395 -9.787 1.00 0.84 N ATOM 1694 CE2 TRP A 111 6.941 -1.121 -9.447 1.00 0.83 C ATOM 1695 CE3 TRP A 111 7.068 0.257 -7.461 1.00 0.84 C ATOM 1696 CZ2 TRP A 111 6.277 -0.104 -10.133 1.00 1.03 C ATOM 1697 CZ3 TRP A 111 6.400 1.284 -8.149 1.00 1.07 C ATOM 1698 CH2 TRP A 111 6.006 1.103 -9.483 1.00 1.14 C ATOM 0 H TRP A 111 10.145 -4.156 -5.557 1.00 0.46 H new ATOM 0 HA TRP A 111 10.451 -1.963 -7.380 1.00 0.51 H new ATOM 0 HB2 TRP A 111 8.460 -3.559 -6.103 1.00 0.55 H new ATOM 0 HB3 TRP A 111 8.118 -1.929 -5.559 1.00 0.55 H new ATOM 0 HD1 TRP A 111 8.390 -4.027 -8.752 1.00 0.73 H new ATOM 0 HE1 TRP A 111 7.201 -2.818 -10.703 1.00 0.84 H new ATOM 0 HE3 TRP A 111 7.368 0.406 -6.434 1.00 0.84 H new ATOM 0 HZ2 TRP A 111 5.974 -0.248 -11.160 1.00 1.03 H new ATOM 0 HZ3 TRP A 111 6.189 2.217 -7.648 1.00 1.07 H new ATOM 0 HH2 TRP A 111 5.494 1.896 -10.007 1.00 1.14 H new ATOM 1709 N LEU A 112 10.352 -1.096 -4.223 1.00 0.55 N ATOM 1710 CA LEU A 112 10.645 0.062 -3.332 1.00 0.65 C ATOM 1711 C LEU A 112 12.109 0.477 -3.486 1.00 0.65 C ATOM 1712 O LEU A 112 12.426 1.648 -3.575 1.00 0.75 O ATOM 1713 CB LEU A 112 10.372 -0.445 -1.915 1.00 0.74 C ATOM 1714 CG LEU A 112 8.866 -0.400 -1.635 1.00 0.86 C ATOM 1715 CD1 LEU A 112 8.570 -1.115 -0.315 1.00 1.49 C ATOM 1716 CD2 LEU A 112 8.408 1.057 -1.540 1.00 1.10 C ATOM 0 H LEU A 112 10.117 -1.965 -3.743 1.00 0.55 H new ATOM 0 HA LEU A 112 10.038 0.935 -3.570 1.00 0.65 H new ATOM 0 HB2 LEU A 112 10.742 -1.464 -1.805 1.00 0.74 H new ATOM 0 HB3 LEU A 112 10.906 0.168 -1.189 1.00 0.74 H new ATOM 0 HG LEU A 112 8.331 -0.897 -2.445 1.00 0.86 H new ATOM 0 HD11 LEU A 112 7.499 -1.083 -0.116 1.00 1.49 H new ATOM 0 HD12 LEU A 112 8.896 -2.153 -0.383 1.00 1.49 H new ATOM 0 HD13 LEU A 112 9.105 -0.619 0.495 1.00 1.49 H new ATOM 0 HD21 LEU A 112 7.337 1.089 -1.341 1.00 1.10 H new ATOM 0 HD22 LEU A 112 8.943 1.554 -0.731 1.00 1.10 H new ATOM 0 HD23 LEU A 112 8.618 1.566 -2.481 1.00 1.10 H new ATOM 1728 N LYS A 113 13.004 -0.473 -3.525 1.00 0.62 N ATOM 1729 CA LYS A 113 14.447 -0.130 -3.682 1.00 0.70 C ATOM 1730 C LYS A 113 14.786 0.123 -5.157 1.00 0.75 C ATOM 1731 O LYS A 113 15.929 0.343 -5.508 1.00 1.01 O ATOM 1732 CB LYS A 113 15.197 -1.356 -3.165 1.00 0.79 C ATOM 1733 CG LYS A 113 15.933 -0.997 -1.873 1.00 1.42 C ATOM 1734 CD LYS A 113 16.102 -2.252 -1.016 1.00 1.84 C ATOM 1735 CE LYS A 113 17.155 -1.993 0.064 1.00 2.39 C ATOM 1736 NZ LYS A 113 16.909 -3.036 1.098 1.00 2.86 N ATOM 0 H LYS A 113 12.799 -1.470 -3.455 1.00 0.62 H new ATOM 0 HA LYS A 113 14.714 0.778 -3.141 1.00 0.70 H new ATOM 0 HB2 LYS A 113 14.498 -2.173 -2.983 1.00 0.79 H new ATOM 0 HB3 LYS A 113 15.907 -1.705 -3.915 1.00 0.79 H new ATOM 0 HG2 LYS A 113 16.908 -0.568 -2.105 1.00 1.42 H new ATOM 0 HG3 LYS A 113 15.374 -0.240 -1.322 1.00 1.42 H new ATOM 0 HD2 LYS A 113 15.152 -2.522 -0.555 1.00 1.84 H new ATOM 0 HD3 LYS A 113 16.404 -3.093 -1.640 1.00 1.84 H new ATOM 0 HE2 LYS A 113 18.164 -2.069 -0.342 1.00 2.39 H new ATOM 0 HE3 LYS A 113 17.054 -0.991 0.482 1.00 2.39 H new ATOM 0 HZ1 LYS A 113 17.593 -2.924 1.873 1.00 2.86 H new ATOM 0 HZ2 LYS A 113 15.943 -2.934 1.471 1.00 2.86 H new ATOM 0 HZ3 LYS A 113 17.019 -3.979 0.673 1.00 2.86 H new ATOM 1750 N LYS A 114 13.809 0.094 -6.028 1.00 0.71 N ATOM 1751 CA LYS A 114 14.092 0.334 -7.472 1.00 0.89 C ATOM 1752 C LYS A 114 14.262 1.831 -7.736 1.00 1.07 C ATOM 1753 O LYS A 114 14.956 2.236 -8.647 1.00 1.31 O ATOM 1754 CB LYS A 114 12.865 -0.205 -8.209 1.00 0.92 C ATOM 1755 CG LYS A 114 13.308 -0.918 -9.489 1.00 1.45 C ATOM 1756 CD LYS A 114 12.111 -1.640 -10.111 1.00 1.77 C ATOM 1757 CE LYS A 114 11.082 -0.610 -10.584 1.00 2.49 C ATOM 1758 NZ LYS A 114 11.118 -0.686 -12.070 1.00 3.00 N ATOM 0 H LYS A 114 12.831 -0.085 -5.801 1.00 0.71 H new ATOM 0 HA LYS A 114 15.011 -0.152 -7.800 1.00 0.89 H new ATOM 0 HB2 LYS A 114 12.317 -0.895 -7.567 1.00 0.92 H new ATOM 0 HB3 LYS A 114 12.186 0.612 -8.452 1.00 0.92 H new ATOM 0 HG2 LYS A 114 13.719 -0.197 -10.196 1.00 1.45 H new ATOM 0 HG3 LYS A 114 14.101 -1.632 -9.265 1.00 1.45 H new ATOM 0 HD2 LYS A 114 12.439 -2.254 -10.950 1.00 1.77 H new ATOM 0 HD3 LYS A 114 11.659 -2.312 -9.382 1.00 1.77 H new ATOM 0 HE2 LYS A 114 10.088 -0.840 -10.201 1.00 2.49 H new ATOM 0 HE3 LYS A 114 11.335 0.391 -10.233 1.00 2.49 H new ATOM 0 HZ1 LYS A 114 10.438 -0.008 -12.469 1.00 3.00 H new ATOM 0 HZ2 LYS A 114 12.075 -0.456 -12.406 1.00 3.00 H new ATOM 0 HZ3 LYS A 114 10.866 -1.648 -12.375 1.00 3.00 H new ATOM 1772 N ARG A 115 13.634 2.658 -6.946 1.00 1.09 N ATOM 1773 CA ARG A 115 13.761 4.129 -7.153 1.00 1.40 C ATOM 1774 C ARG A 115 14.682 4.736 -6.091 1.00 1.25 C ATOM 1775 O ARG A 115 14.635 5.920 -5.817 1.00 1.55 O ATOM 1776 CB ARG A 115 12.338 4.673 -7.008 1.00 1.86 C ATOM 1777 CG ARG A 115 11.576 4.467 -8.318 1.00 2.43 C ATOM 1778 CD ARG A 115 10.757 3.177 -8.236 1.00 2.92 C ATOM 1779 NE ARG A 115 9.412 3.541 -8.763 1.00 3.45 N ATOM 1780 CZ ARG A 115 8.958 2.968 -9.845 1.00 3.99 C ATOM 1781 NH1 ARG A 115 9.003 1.669 -9.965 1.00 4.52 N ATOM 1782 NH2 ARG A 115 8.458 3.695 -10.807 1.00 4.34 N ATOM 0 H ARG A 115 13.039 2.379 -6.166 1.00 1.09 H new ATOM 0 HA ARG A 115 14.194 4.375 -8.123 1.00 1.40 H new ATOM 0 HB2 ARG A 115 11.824 4.164 -6.192 1.00 1.86 H new ATOM 0 HB3 ARG A 115 12.367 5.733 -6.755 1.00 1.86 H new ATOM 0 HG2 ARG A 115 10.919 5.316 -8.506 1.00 2.43 H new ATOM 0 HG3 ARG A 115 12.275 4.414 -9.153 1.00 2.43 H new ATOM 0 HD2 ARG A 115 11.211 2.383 -8.828 1.00 2.92 H new ATOM 0 HD3 ARG A 115 10.694 2.814 -7.210 1.00 2.92 H new ATOM 0 HE ARG A 115 8.846 4.238 -8.279 1.00 3.45 H new ATOM 0 HH11 ARG A 115 9.393 1.101 -9.213 1.00 4.52 H new ATOM 0 HH12 ARG A 115 8.648 1.222 -10.811 1.00 4.52 H new ATOM 0 HH21 ARG A 115 8.422 4.710 -10.713 1.00 4.34 H new ATOM 0 HH22 ARG A 115 8.103 3.248 -11.652 1.00 4.34 H new ATOM 1796 N THR A 116 15.521 3.936 -5.491 1.00 1.09 N ATOM 1797 CA THR A 116 16.445 4.468 -4.448 1.00 1.33 C ATOM 1798 C THR A 116 17.874 4.535 -4.994 1.00 1.97 C ATOM 1799 O THR A 116 18.619 5.448 -4.699 1.00 2.63 O ATOM 1800 CB THR A 116 16.357 3.467 -3.293 1.00 1.60 C ATOM 1801 OG1 THR A 116 16.517 2.149 -3.798 1.00 2.17 O ATOM 1802 CG2 THR A 116 14.995 3.593 -2.609 1.00 1.81 C ATOM 0 H THR A 116 15.607 2.937 -5.678 1.00 1.09 H new ATOM 0 HA THR A 116 16.178 5.477 -4.133 1.00 1.33 H new ATOM 0 HB THR A 116 17.144 3.676 -2.569 1.00 1.60 H new ATOM 0 HG1 THR A 116 16.780 1.549 -3.069 1.00 2.17 H new ATOM 0 HG21 THR A 116 14.933 2.880 -1.787 1.00 1.81 H new ATOM 0 HG22 THR A 116 14.875 4.605 -2.222 1.00 1.81 H new ATOM 0 HG23 THR A 116 14.205 3.384 -3.330 1.00 1.81 H new ATOM 1810 N GLY A 117 18.261 3.576 -5.790 1.00 2.26 N ATOM 1811 CA GLY A 117 19.640 3.586 -6.356 1.00 3.23 C ATOM 1812 C GLY A 117 19.639 4.343 -7.690 1.00 3.72 C ATOM 1813 O GLY A 117 18.603 4.785 -8.145 1.00 3.64 O ATOM 0 H GLY A 117 17.682 2.786 -6.073 1.00 2.26 H new ATOM 0 HA2 GLY A 117 20.328 4.061 -5.657 1.00 3.23 H new ATOM 0 HA3 GLY A 117 19.991 2.565 -6.505 1.00 3.23 H new ATOM 1817 N PRO A 118 20.804 4.469 -8.278 1.00 4.60 N ATOM 1818 CA PRO A 118 20.921 5.184 -9.574 1.00 5.37 C ATOM 1819 C PRO A 118 20.338 4.333 -10.708 1.00 5.55 C ATOM 1820 O PRO A 118 20.824 3.259 -11.004 1.00 5.89 O ATOM 1821 CB PRO A 118 22.426 5.368 -9.750 1.00 6.27 C ATOM 1822 CG PRO A 118 23.046 4.274 -8.941 1.00 6.17 C ATOM 1823 CD PRO A 118 22.104 3.972 -7.806 1.00 5.22 C ATOM 0 HA PRO A 118 20.378 6.129 -9.592 1.00 5.37 H new ATOM 0 HB2 PRO A 118 22.713 5.294 -10.799 1.00 6.27 H new ATOM 0 HB3 PRO A 118 22.747 6.349 -9.400 1.00 6.27 H new ATOM 0 HG2 PRO A 118 23.208 3.387 -9.553 1.00 6.17 H new ATOM 0 HG3 PRO A 118 24.020 4.581 -8.561 1.00 6.17 H new ATOM 0 HD2 PRO A 118 22.068 2.904 -7.591 1.00 5.22 H new ATOM 0 HD3 PRO A 118 22.413 4.472 -6.888 1.00 5.22 H new ATOM 1831 N ALA A 119 19.301 4.805 -11.345 1.00 5.74 N ATOM 1832 CA ALA A 119 18.690 4.024 -12.458 1.00 6.37 C ATOM 1833 C ALA A 119 18.812 4.792 -13.776 1.00 7.12 C ATOM 1834 O ALA A 119 17.978 4.678 -14.652 1.00 7.52 O ATOM 1835 CB ALA A 119 17.221 3.859 -12.067 1.00 6.62 C ATOM 0 H ALA A 119 18.851 5.698 -11.143 1.00 5.74 H new ATOM 0 HA ALA A 119 19.183 3.063 -12.606 1.00 6.37 H new ATOM 0 HB1 ALA A 119 16.700 3.292 -12.839 1.00 6.62 H new ATOM 0 HB2 ALA A 119 17.155 3.326 -11.118 1.00 6.62 H new ATOM 0 HB3 ALA A 119 16.759 4.841 -11.965 1.00 6.62 H new ATOM 1841 N ALA A 120 19.847 5.573 -13.924 1.00 7.64 N ATOM 1842 CA ALA A 120 20.021 6.347 -15.186 1.00 8.64 C ATOM 1843 C ALA A 120 20.959 5.600 -16.136 1.00 9.09 C ATOM 1844 O ALA A 120 21.576 4.642 -15.698 1.00 9.37 O ATOM 1845 CB ALA A 120 20.642 7.675 -14.753 1.00 9.17 C ATOM 1846 OXT ALA A 120 21.044 5.997 -17.287 1.00 9.38 O ATOM 0 H ALA A 120 20.579 5.709 -13.227 1.00 7.64 H new ATOM 0 HA ALA A 120 19.080 6.492 -15.717 1.00 8.64 H new ATOM 0 HB1 ALA A 120 20.802 8.304 -15.628 1.00 9.17 H new ATOM 0 HB2 ALA A 120 19.971 8.182 -14.060 1.00 9.17 H new ATOM 0 HB3 ALA A 120 21.597 7.487 -14.262 1.00 9.17 H new TER 1852 ALA A 120