USER MOD reduce.3.24.130724 H: found=0, std=0, add=919, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 917 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 37 LYS NZ :NH3+ 156:sc= -0.0619 (180deg=-0.358) USER MOD Set 1.2: A 39 GLN : amide:sc= 0.0894 X(o=-0.61,f=-0.94) USER MOD Set 1.3: A 41 TYR OH : rot -72:sc= -0.634 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 CYS SG : rot 180:sc= -0.821 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot -54:sc= 0.365 USER MOD Single : A 16 LYS NZ :NH3+ -162:sc= -1.71 (180deg=-2.03) USER MOD Single : A 20 LYS NZ :NH3+ -123:sc= -1.11 (180deg=-2.6!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 33 TYR OH : rot 0:sc= -0.159 USER MOD Single : A 38 CYS SG : rot 180:sc= 0 USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 95:sc= 0.6 USER MOD Single : A 45 THR OG1 : rot -78:sc= 0.893 USER MOD Single : A 47 GLN : amide:sc= -0.21 X(o=-0.21,f=-0.21) USER MOD Single : A 50 ASN :FLIP amide:sc= 0.0385 F(o=-0.64,f=0.038) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 64 CYS SG : rot 31:sc= 0.424 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 THR OG1 : rot 14:sc= -1.04 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot 180:sc= -0.241 USER MOD Single : A 85 LYS NZ :NH3+ -127:sc= 0.736 (180deg=0) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 GLN : amide:sc= 0 K(o=0,f=-0.77) USER MOD Single : A 92 MET CE :methyl -174:sc= -2.03 (180deg=-2.24) USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 GLN : amide:sc= -0.0615 K(o=-0.061,f=-1.3) USER MOD Single : A 98 GLN :FLIP amide:sc= -0.817 F(o=-1.5!,f=-0.82) USER MOD Single : A 100 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 101 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 HIS : no HE2:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 108 ASN :FLIP amide:sc= -0.686 F(o=-1.3,f=-0.69) USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 117 SER OG : rot 48:sc= 0.689 USER MOD Single : A 118 SER OG : rot 19:sc= 0.435! USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -18.866 -4.796 4.189 1.00 0.00 N ATOM 2 CA GLY A 1 -18.021 -4.280 5.250 1.00 0.00 C ATOM 3 C GLY A 1 -17.824 -2.780 5.156 1.00 0.00 C ATOM 4 O GLY A 1 -16.756 -2.310 4.763 1.00 0.00 O ATOM 0 H1 GLY A 1 -18.970 -5.825 4.297 1.00 0.00 H new ATOM 0 H2 GLY A 1 -19.802 -4.346 4.241 1.00 0.00 H new ATOM 0 H3 GLY A 1 -18.432 -4.587 3.267 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -18.464 -4.525 6.215 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -17.050 -4.774 5.210 1.00 0.00 H new ATOM 8 N SER A 2 -18.857 -2.025 5.517 1.00 0.00 N ATOM 9 CA SER A 2 -18.795 -0.569 5.466 1.00 0.00 C ATOM 10 C SER A 2 -17.769 -0.035 6.461 1.00 0.00 C ATOM 11 O SER A 2 -17.215 -0.786 7.262 1.00 0.00 O ATOM 12 CB SER A 2 -20.170 0.032 5.762 1.00 0.00 C ATOM 13 OG SER A 2 -20.548 -0.198 7.109 1.00 0.00 O ATOM 0 H SER A 2 -19.747 -2.398 5.848 1.00 0.00 H new ATOM 0 HA SER A 2 -18.488 -0.278 4.462 1.00 0.00 H new ATOM 0 HB2 SER A 2 -20.152 1.104 5.564 1.00 0.00 H new ATOM 0 HB3 SER A 2 -20.912 -0.404 5.093 1.00 0.00 H new ATOM 0 HG SER A 2 -21.430 0.197 7.273 1.00 0.00 H new ATOM 19 N SER A 3 -17.521 1.270 6.402 1.00 0.00 N ATOM 20 CA SER A 3 -16.559 1.906 7.294 1.00 0.00 C ATOM 21 C SER A 3 -17.260 2.856 8.260 1.00 0.00 C ATOM 22 O SER A 3 -18.336 3.376 7.967 1.00 0.00 O ATOM 23 CB SER A 3 -15.507 2.668 6.485 1.00 0.00 C ATOM 24 OG SER A 3 -14.541 3.262 7.334 1.00 0.00 O ATOM 0 H SER A 3 -17.973 1.907 5.746 1.00 0.00 H new ATOM 0 HA SER A 3 -16.066 1.125 7.873 1.00 0.00 H new ATOM 0 HB2 SER A 3 -15.015 1.987 5.790 1.00 0.00 H new ATOM 0 HB3 SER A 3 -15.992 3.439 5.886 1.00 0.00 H new ATOM 0 HG SER A 3 -13.880 3.741 6.792 1.00 0.00 H new ATOM 30 N GLY A 4 -16.641 3.078 9.416 1.00 0.00 N ATOM 31 CA GLY A 4 -17.219 3.965 10.409 1.00 0.00 C ATOM 32 C GLY A 4 -16.711 5.387 10.281 1.00 0.00 C ATOM 33 O GLY A 4 -16.333 5.823 9.194 1.00 0.00 O ATOM 0 H GLY A 4 -15.750 2.659 9.682 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -18.304 3.960 10.309 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -16.989 3.589 11.406 1.00 0.00 H new ATOM 37 N SER A 5 -16.705 6.114 11.394 1.00 0.00 N ATOM 38 CA SER A 5 -16.246 7.498 11.401 1.00 0.00 C ATOM 39 C SER A 5 -14.807 7.590 11.900 1.00 0.00 C ATOM 40 O SER A 5 -14.529 7.358 13.076 1.00 0.00 O ATOM 41 CB SER A 5 -17.158 8.355 12.281 1.00 0.00 C ATOM 42 OG SER A 5 -18.250 8.867 11.536 1.00 0.00 O ATOM 0 H SER A 5 -17.013 5.767 12.303 1.00 0.00 H new ATOM 0 HA SER A 5 -16.283 7.873 10.378 1.00 0.00 H new ATOM 0 HB2 SER A 5 -17.530 7.759 13.114 1.00 0.00 H new ATOM 0 HB3 SER A 5 -16.587 9.179 12.708 1.00 0.00 H new ATOM 0 HG SER A 5 -18.819 9.410 12.121 1.00 0.00 H new ATOM 48 N SER A 6 -13.895 7.931 10.995 1.00 0.00 N ATOM 49 CA SER A 6 -12.483 8.051 11.340 1.00 0.00 C ATOM 50 C SER A 6 -11.678 8.582 10.157 1.00 0.00 C ATOM 51 O SER A 6 -12.128 8.533 9.014 1.00 0.00 O ATOM 52 CB SER A 6 -11.928 6.695 11.782 1.00 0.00 C ATOM 53 OG SER A 6 -10.785 6.856 12.604 1.00 0.00 O ATOM 0 H SER A 6 -14.109 8.129 10.017 1.00 0.00 H new ATOM 0 HA SER A 6 -12.394 8.759 12.164 1.00 0.00 H new ATOM 0 HB2 SER A 6 -12.696 6.144 12.325 1.00 0.00 H new ATOM 0 HB3 SER A 6 -11.669 6.101 10.905 1.00 0.00 H new ATOM 0 HG SER A 6 -10.450 5.976 12.875 1.00 0.00 H new ATOM 59 N GLY A 7 -10.483 9.089 10.444 1.00 0.00 N ATOM 60 CA GLY A 7 -9.633 9.622 9.395 1.00 0.00 C ATOM 61 C GLY A 7 -9.205 8.562 8.400 1.00 0.00 C ATOM 62 O GLY A 7 -9.125 7.380 8.737 1.00 0.00 O ATOM 0 H GLY A 7 -10.088 9.140 11.383 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -10.164 10.416 8.870 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -8.748 10.073 9.843 1.00 0.00 H new ATOM 66 N LYS A 8 -8.929 8.983 7.171 1.00 0.00 N ATOM 67 CA LYS A 8 -8.507 8.061 6.122 1.00 0.00 C ATOM 68 C LYS A 8 -6.989 8.072 5.967 1.00 0.00 C ATOM 69 O LYS A 8 -6.468 8.001 4.854 1.00 0.00 O ATOM 70 CB LYS A 8 -9.169 8.431 4.793 1.00 0.00 C ATOM 71 CG LYS A 8 -10.642 8.066 4.725 1.00 0.00 C ATOM 72 CD LYS A 8 -11.293 8.609 3.464 1.00 0.00 C ATOM 73 CE LYS A 8 -12.731 8.133 3.330 1.00 0.00 C ATOM 74 NZ LYS A 8 -13.218 8.227 1.926 1.00 0.00 N ATOM 0 H LYS A 8 -8.990 9.957 6.876 1.00 0.00 H new ATOM 0 HA LYS A 8 -8.818 7.056 6.408 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -9.061 9.503 4.629 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -8.641 7.930 3.982 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -10.751 6.982 4.754 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -11.157 8.462 5.601 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -11.269 9.699 3.481 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -10.721 8.292 2.592 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -12.805 7.101 3.672 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -13.373 8.730 3.978 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -14.202 7.893 1.877 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -13.171 9.216 1.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -12.621 7.637 1.311 1.00 0.00 H new ATOM 88 N LYS A 9 -6.285 8.161 7.090 1.00 0.00 N ATOM 89 CA LYS A 9 -4.827 8.178 7.080 1.00 0.00 C ATOM 90 C LYS A 9 -4.265 6.768 7.228 1.00 0.00 C ATOM 91 O LYS A 9 -4.537 6.080 8.213 1.00 0.00 O ATOM 92 CB LYS A 9 -4.299 9.070 8.207 1.00 0.00 C ATOM 93 CG LYS A 9 -2.908 8.688 8.683 1.00 0.00 C ATOM 94 CD LYS A 9 -2.153 9.893 9.218 1.00 0.00 C ATOM 95 CE LYS A 9 -1.060 9.478 10.191 1.00 0.00 C ATOM 96 NZ LYS A 9 -1.604 9.189 11.547 1.00 0.00 N ATOM 0 H LYS A 9 -6.701 8.223 8.019 1.00 0.00 H new ATOM 0 HA LYS A 9 -4.500 8.582 6.122 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -4.285 10.105 7.864 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -4.988 9.023 9.050 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -2.984 7.930 9.462 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -2.350 8.244 7.859 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -1.712 10.446 8.388 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -2.849 10.568 9.717 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -0.550 8.594 9.808 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -0.315 10.271 10.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -0.828 8.910 12.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -2.069 10.040 11.923 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -2.296 8.415 11.486 1.00 0.00 H new ATOM 110 N LEU A 10 -3.480 6.343 6.244 1.00 0.00 N ATOM 111 CA LEU A 10 -2.878 5.015 6.265 1.00 0.00 C ATOM 112 C LEU A 10 -1.395 5.083 5.915 1.00 0.00 C ATOM 113 O LEU A 10 -1.029 5.289 4.757 1.00 0.00 O ATOM 114 CB LEU A 10 -3.603 4.089 5.287 1.00 0.00 C ATOM 115 CG LEU A 10 -2.918 2.754 4.993 1.00 0.00 C ATOM 116 CD1 LEU A 10 -3.035 1.820 6.188 1.00 0.00 C ATOM 117 CD2 LEU A 10 -3.515 2.110 3.750 1.00 0.00 C ATOM 0 H LEU A 10 -3.246 6.899 5.422 1.00 0.00 H new ATOM 0 HA LEU A 10 -2.976 4.615 7.274 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -4.598 3.885 5.681 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -3.736 4.621 4.345 1.00 0.00 H new ATOM 0 HG LEU A 10 -1.861 2.943 4.807 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -2.542 0.875 5.961 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -2.560 2.278 7.056 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -4.087 1.637 6.405 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -3.015 1.161 3.556 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -4.579 1.934 3.907 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -3.379 2.773 2.896 1.00 0.00 H new ATOM 129 N CYS A 11 -0.545 4.907 6.921 1.00 0.00 N ATOM 130 CA CYS A 11 0.898 4.947 6.719 1.00 0.00 C ATOM 131 C CYS A 11 1.593 3.864 7.537 1.00 0.00 C ATOM 132 O CYS A 11 1.019 3.321 8.481 1.00 0.00 O ATOM 133 CB CYS A 11 1.449 6.322 7.099 1.00 0.00 C ATOM 134 SG CYS A 11 1.252 6.739 8.847 1.00 0.00 S ATOM 0 H CYS A 11 -0.831 4.735 7.885 1.00 0.00 H new ATOM 0 HA CYS A 11 1.097 4.762 5.663 1.00 0.00 H new ATOM 0 HB2 CYS A 11 2.508 6.360 6.845 1.00 0.00 H new ATOM 0 HB3 CYS A 11 0.949 7.081 6.497 1.00 0.00 H new ATOM 0 HG CYS A 11 1.750 7.919 9.071 1.00 0.00 H new ATOM 140 N GLY A 12 2.831 3.552 7.168 1.00 0.00 N ATOM 141 CA GLY A 12 3.583 2.533 7.877 1.00 0.00 C ATOM 142 C GLY A 12 4.782 2.044 7.090 1.00 0.00 C ATOM 143 O GLY A 12 4.707 1.873 5.873 1.00 0.00 O ATOM 0 H GLY A 12 3.327 3.987 6.390 1.00 0.00 H new ATOM 0 HA2 GLY A 12 3.919 2.933 8.833 1.00 0.00 H new ATOM 0 HA3 GLY A 12 2.928 1.690 8.097 1.00 0.00 H new ATOM 147 N TYR A 13 5.892 1.820 7.785 1.00 0.00 N ATOM 148 CA TYR A 13 7.114 1.351 7.142 1.00 0.00 C ATOM 149 C TYR A 13 6.936 -0.062 6.597 1.00 0.00 C ATOM 150 O TYR A 13 6.107 -0.830 7.088 1.00 0.00 O ATOM 151 CB TYR A 13 8.280 1.385 8.132 1.00 0.00 C ATOM 152 CG TYR A 13 8.992 2.718 8.184 1.00 0.00 C ATOM 153 CD1 TYR A 13 9.990 3.031 7.269 1.00 0.00 C ATOM 154 CD2 TYR A 13 8.665 3.665 9.147 1.00 0.00 C ATOM 155 CE1 TYR A 13 10.643 4.248 7.314 1.00 0.00 C ATOM 156 CE2 TYR A 13 9.312 4.884 9.198 1.00 0.00 C ATOM 157 CZ TYR A 13 10.301 5.171 8.280 1.00 0.00 C ATOM 158 OH TYR A 13 10.948 6.385 8.326 1.00 0.00 O ATOM 0 H TYR A 13 5.971 1.956 8.793 1.00 0.00 H new ATOM 0 HA TYR A 13 7.334 2.017 6.307 1.00 0.00 H new ATOM 0 HB2 TYR A 13 7.908 1.142 9.127 1.00 0.00 H new ATOM 0 HB3 TYR A 13 8.997 0.610 7.862 1.00 0.00 H new ATOM 0 HD1 TYR A 13 10.260 2.311 6.510 1.00 0.00 H new ATOM 0 HD2 TYR A 13 7.892 3.444 9.868 1.00 0.00 H new ATOM 0 HE1 TYR A 13 11.417 4.475 6.596 1.00 0.00 H new ATOM 0 HE2 TYR A 13 9.045 5.609 9.953 1.00 0.00 H new ATOM 0 HH TYR A 13 10.588 6.920 9.064 1.00 0.00 H new ATOM 168 N LEU A 14 7.720 -0.400 5.580 1.00 0.00 N ATOM 169 CA LEU A 14 7.651 -1.722 4.966 1.00 0.00 C ATOM 170 C LEU A 14 8.999 -2.117 4.371 1.00 0.00 C ATOM 171 O LEU A 14 9.909 -1.294 4.268 1.00 0.00 O ATOM 172 CB LEU A 14 6.574 -1.746 3.880 1.00 0.00 C ATOM 173 CG LEU A 14 5.127 -1.682 4.369 1.00 0.00 C ATOM 174 CD1 LEU A 14 4.164 -1.710 3.192 1.00 0.00 C ATOM 175 CD2 LEU A 14 4.836 -2.828 5.326 1.00 0.00 C ATOM 0 H LEU A 14 8.411 0.223 5.162 1.00 0.00 H new ATOM 0 HA LEU A 14 7.392 -2.443 5.742 1.00 0.00 H new ATOM 0 HB2 LEU A 14 6.746 -0.906 3.207 1.00 0.00 H new ATOM 0 HB3 LEU A 14 6.698 -2.656 3.293 1.00 0.00 H new ATOM 0 HG LEU A 14 4.986 -0.743 4.905 1.00 0.00 H new ATOM 0 HD11 LEU A 14 3.139 -1.664 3.559 1.00 0.00 H new ATOM 0 HD12 LEU A 14 4.356 -0.855 2.544 1.00 0.00 H new ATOM 0 HD13 LEU A 14 4.306 -2.632 2.628 1.00 0.00 H new ATOM 0 HD21 LEU A 14 3.801 -2.766 5.664 1.00 0.00 H new ATOM 0 HD22 LEU A 14 4.995 -3.778 4.815 1.00 0.00 H new ATOM 0 HD23 LEU A 14 5.503 -2.762 6.186 1.00 0.00 H new ATOM 187 N SER A 15 9.119 -3.381 3.978 1.00 0.00 N ATOM 188 CA SER A 15 10.356 -3.886 3.394 1.00 0.00 C ATOM 189 C SER A 15 10.124 -4.374 1.967 1.00 0.00 C ATOM 190 O SER A 15 9.290 -5.247 1.725 1.00 0.00 O ATOM 191 CB SER A 15 10.922 -5.022 4.248 1.00 0.00 C ATOM 192 OG SER A 15 11.562 -4.519 5.408 1.00 0.00 O ATOM 0 H SER A 15 8.375 -4.074 4.053 1.00 0.00 H new ATOM 0 HA SER A 15 11.076 -3.068 3.367 1.00 0.00 H new ATOM 0 HB2 SER A 15 10.118 -5.699 4.537 1.00 0.00 H new ATOM 0 HB3 SER A 15 11.632 -5.604 3.660 1.00 0.00 H new ATOM 0 HG SER A 15 12.237 -3.858 5.148 1.00 0.00 H new ATOM 198 N LYS A 16 10.867 -3.804 1.025 1.00 0.00 N ATOM 199 CA LYS A 16 10.745 -4.179 -0.378 1.00 0.00 C ATOM 200 C LYS A 16 11.784 -5.232 -0.752 1.00 0.00 C ATOM 201 O LYS A 16 12.988 -4.988 -0.667 1.00 0.00 O ATOM 202 CB LYS A 16 10.907 -2.948 -1.273 1.00 0.00 C ATOM 203 CG LYS A 16 10.208 -3.077 -2.616 1.00 0.00 C ATOM 204 CD LYS A 16 9.781 -1.721 -3.154 1.00 0.00 C ATOM 205 CE LYS A 16 9.143 -1.844 -4.529 1.00 0.00 C ATOM 206 NZ LYS A 16 10.135 -2.235 -5.568 1.00 0.00 N ATOM 0 H LYS A 16 11.561 -3.079 1.208 1.00 0.00 H new ATOM 0 HA LYS A 16 9.752 -4.603 -0.529 1.00 0.00 H new ATOM 0 HB2 LYS A 16 10.515 -2.075 -0.751 1.00 0.00 H new ATOM 0 HB3 LYS A 16 11.969 -2.768 -1.441 1.00 0.00 H new ATOM 0 HG2 LYS A 16 10.876 -3.559 -3.330 1.00 0.00 H new ATOM 0 HG3 LYS A 16 9.334 -3.720 -2.512 1.00 0.00 H new ATOM 0 HD2 LYS A 16 9.074 -1.260 -2.464 1.00 0.00 H new ATOM 0 HD3 LYS A 16 10.647 -1.062 -3.211 1.00 0.00 H new ATOM 0 HE2 LYS A 16 8.344 -2.584 -4.493 1.00 0.00 H new ATOM 0 HE3 LYS A 16 8.685 -0.893 -4.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 9.754 -2.017 -6.511 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 11.019 -1.707 -5.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 10.326 -3.255 -5.499 1.00 0.00 H new ATOM 220 N PHE A 17 11.311 -6.403 -1.167 1.00 0.00 N ATOM 221 CA PHE A 17 12.199 -7.492 -1.554 1.00 0.00 C ATOM 222 C PHE A 17 12.778 -7.254 -2.946 1.00 0.00 C ATOM 223 O PHE A 17 13.970 -6.991 -3.098 1.00 0.00 O ATOM 224 CB PHE A 17 11.449 -8.825 -1.523 1.00 0.00 C ATOM 225 CG PHE A 17 12.339 -10.019 -1.724 1.00 0.00 C ATOM 226 CD1 PHE A 17 13.441 -10.224 -0.909 1.00 0.00 C ATOM 227 CD2 PHE A 17 12.074 -10.936 -2.729 1.00 0.00 C ATOM 228 CE1 PHE A 17 14.261 -11.320 -1.093 1.00 0.00 C ATOM 229 CE2 PHE A 17 12.891 -12.035 -2.917 1.00 0.00 C ATOM 230 CZ PHE A 17 13.986 -12.228 -2.097 1.00 0.00 C ATOM 0 H PHE A 17 10.318 -6.621 -1.244 1.00 0.00 H new ATOM 0 HA PHE A 17 13.021 -7.528 -0.839 1.00 0.00 H new ATOM 0 HB2 PHE A 17 10.936 -8.922 -0.566 1.00 0.00 H new ATOM 0 HB3 PHE A 17 10.682 -8.819 -2.297 1.00 0.00 H new ATOM 0 HD1 PHE A 17 13.661 -9.519 -0.121 1.00 0.00 H new ATOM 0 HD2 PHE A 17 11.219 -10.790 -3.373 1.00 0.00 H new ATOM 0 HE1 PHE A 17 15.117 -11.467 -0.452 1.00 0.00 H new ATOM 0 HE2 PHE A 17 12.674 -12.742 -3.704 1.00 0.00 H new ATOM 0 HZ PHE A 17 14.625 -13.087 -2.241 1.00 0.00 H new ATOM 240 N GLY A 18 11.923 -7.348 -3.960 1.00 0.00 N ATOM 241 CA GLY A 18 12.367 -7.141 -5.326 1.00 0.00 C ATOM 242 C GLY A 18 11.400 -6.291 -6.127 1.00 0.00 C ATOM 243 O GLY A 18 10.185 -6.409 -5.974 1.00 0.00 O ATOM 0 H GLY A 18 10.931 -7.564 -3.860 1.00 0.00 H new ATOM 0 HA2 GLY A 18 13.346 -6.662 -5.318 1.00 0.00 H new ATOM 0 HA3 GLY A 18 12.489 -8.107 -5.816 1.00 0.00 H new ATOM 247 N GLY A 19 11.941 -5.430 -6.984 1.00 0.00 N ATOM 248 CA GLY A 19 11.104 -4.568 -7.798 1.00 0.00 C ATOM 249 C GLY A 19 11.911 -3.703 -8.746 1.00 0.00 C ATOM 250 O GLY A 19 12.234 -4.122 -9.857 1.00 0.00 O ATOM 0 H GLY A 19 12.944 -5.314 -7.129 1.00 0.00 H new ATOM 0 HA2 GLY A 19 10.408 -5.180 -8.372 1.00 0.00 H new ATOM 0 HA3 GLY A 19 10.506 -3.929 -7.148 1.00 0.00 H new ATOM 254 N LYS A 20 12.235 -2.492 -8.307 1.00 0.00 N ATOM 255 CA LYS A 20 13.009 -1.564 -9.124 1.00 0.00 C ATOM 256 C LYS A 20 14.490 -1.928 -9.106 1.00 0.00 C ATOM 257 O LYS A 20 15.325 -1.196 -9.635 1.00 0.00 O ATOM 258 CB LYS A 20 12.819 -0.131 -8.622 1.00 0.00 C ATOM 259 CG LYS A 20 12.980 0.014 -7.119 1.00 0.00 C ATOM 260 CD LYS A 20 13.084 1.473 -6.708 1.00 0.00 C ATOM 261 CE LYS A 20 14.137 2.209 -7.523 1.00 0.00 C ATOM 262 NZ LYS A 20 13.562 2.812 -8.756 1.00 0.00 N ATOM 0 H LYS A 20 11.974 -2.130 -7.390 1.00 0.00 H new ATOM 0 HA LYS A 20 12.648 -1.634 -10.150 1.00 0.00 H new ATOM 0 HB2 LYS A 20 13.539 0.518 -9.120 1.00 0.00 H new ATOM 0 HB3 LYS A 20 11.826 0.216 -8.908 1.00 0.00 H new ATOM 0 HG2 LYS A 20 12.131 -0.447 -6.615 1.00 0.00 H new ATOM 0 HG3 LYS A 20 13.872 -0.521 -6.794 1.00 0.00 H new ATOM 0 HD2 LYS A 20 12.117 1.958 -6.838 1.00 0.00 H new ATOM 0 HD3 LYS A 20 13.332 1.537 -5.649 1.00 0.00 H new ATOM 0 HE2 LYS A 20 14.588 2.991 -6.912 1.00 0.00 H new ATOM 0 HE3 LYS A 20 14.935 1.518 -7.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 14.072 2.453 -9.588 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 12.556 2.559 -8.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 13.656 3.847 -8.713 1.00 0.00 H new ATOM 276 N GLY A 21 14.808 -3.065 -8.494 1.00 0.00 N ATOM 277 CA GLY A 21 16.189 -3.506 -8.420 1.00 0.00 C ATOM 278 C GLY A 21 16.451 -4.735 -9.268 1.00 0.00 C ATOM 279 O GLY A 21 15.576 -5.580 -9.461 1.00 0.00 O ATOM 0 H GLY A 21 14.134 -3.688 -8.048 1.00 0.00 H new ATOM 0 HA2 GLY A 21 16.843 -2.697 -8.746 1.00 0.00 H new ATOM 0 HA3 GLY A 21 16.443 -3.723 -7.382 1.00 0.00 H new ATOM 283 N PRO A 22 17.680 -4.846 -9.792 1.00 0.00 N ATOM 284 CA PRO A 22 18.083 -5.977 -10.634 1.00 0.00 C ATOM 285 C PRO A 22 18.196 -7.276 -9.844 1.00 0.00 C ATOM 286 O PRO A 22 18.230 -8.363 -10.421 1.00 0.00 O ATOM 287 CB PRO A 22 19.454 -5.553 -11.165 1.00 0.00 C ATOM 288 CG PRO A 22 19.975 -4.596 -10.149 1.00 0.00 C ATOM 289 CD PRO A 22 18.772 -3.876 -9.604 1.00 0.00 C ATOM 0 HA PRO A 22 17.353 -6.183 -11.417 1.00 0.00 H new ATOM 0 HB2 PRO A 22 20.117 -6.411 -11.278 1.00 0.00 H new ATOM 0 HB3 PRO A 22 19.371 -5.083 -12.145 1.00 0.00 H new ATOM 0 HG2 PRO A 22 20.508 -5.120 -9.356 1.00 0.00 H new ATOM 0 HG3 PRO A 22 20.679 -3.895 -10.598 1.00 0.00 H new ATOM 0 HD2 PRO A 22 18.901 -3.615 -8.554 1.00 0.00 H new ATOM 0 HD3 PRO A 22 18.582 -2.947 -10.142 1.00 0.00 H new ATOM 297 N ILE A 23 18.253 -7.156 -8.522 1.00 0.00 N ATOM 298 CA ILE A 23 18.361 -8.322 -7.653 1.00 0.00 C ATOM 299 C ILE A 23 17.213 -8.368 -6.650 1.00 0.00 C ATOM 300 O ILE A 23 16.409 -7.439 -6.569 1.00 0.00 O ATOM 301 CB ILE A 23 19.697 -8.332 -6.888 1.00 0.00 C ATOM 302 CG1 ILE A 23 19.639 -7.367 -5.703 1.00 0.00 C ATOM 303 CG2 ILE A 23 20.844 -7.967 -7.820 1.00 0.00 C ATOM 304 CD1 ILE A 23 19.251 -5.957 -6.089 1.00 0.00 C ATOM 0 H ILE A 23 18.226 -6.263 -8.029 1.00 0.00 H new ATOM 0 HA ILE A 23 18.314 -9.201 -8.296 1.00 0.00 H new ATOM 0 HB ILE A 23 19.871 -9.337 -6.505 1.00 0.00 H new ATOM 0 HG12 ILE A 23 18.924 -7.745 -4.972 1.00 0.00 H new ATOM 0 HG13 ILE A 23 20.613 -7.346 -5.214 1.00 0.00 H new ATOM 0 HG21 ILE A 23 21.782 -7.978 -7.265 1.00 0.00 H new ATOM 0 HG22 ILE A 23 20.896 -8.690 -8.634 1.00 0.00 H new ATOM 0 HG23 ILE A 23 20.677 -6.971 -8.230 1.00 0.00 H new ATOM 0 HD11 ILE A 23 19.230 -5.329 -5.199 1.00 0.00 H new ATOM 0 HD12 ILE A 23 19.979 -5.560 -6.796 1.00 0.00 H new ATOM 0 HD13 ILE A 23 18.264 -5.965 -6.551 1.00 0.00 H new ATOM 316 N ARG A 24 17.145 -9.453 -5.886 1.00 0.00 N ATOM 317 CA ARG A 24 16.097 -9.620 -4.887 1.00 0.00 C ATOM 318 C ARG A 24 16.654 -9.435 -3.479 1.00 0.00 C ATOM 319 O ARG A 24 17.794 -9.802 -3.198 1.00 0.00 O ATOM 320 CB ARG A 24 15.455 -11.003 -5.016 1.00 0.00 C ATOM 321 CG ARG A 24 14.965 -11.318 -6.420 1.00 0.00 C ATOM 322 CD ARG A 24 13.563 -10.778 -6.654 1.00 0.00 C ATOM 323 NE ARG A 24 12.894 -11.454 -7.763 1.00 0.00 N ATOM 324 CZ ARG A 24 11.580 -11.424 -7.957 1.00 0.00 C ATOM 325 NH1 ARG A 24 10.798 -10.755 -7.121 1.00 0.00 N ATOM 326 NH2 ARG A 24 11.046 -12.065 -8.989 1.00 0.00 N ATOM 0 H ARG A 24 17.804 -10.230 -5.940 1.00 0.00 H new ATOM 0 HA ARG A 24 15.338 -8.857 -5.062 1.00 0.00 H new ATOM 0 HB2 ARG A 24 16.179 -11.760 -4.715 1.00 0.00 H new ATOM 0 HB3 ARG A 24 14.616 -11.071 -4.324 1.00 0.00 H new ATOM 0 HG2 ARG A 24 15.649 -10.887 -7.151 1.00 0.00 H new ATOM 0 HG3 ARG A 24 14.971 -12.397 -6.575 1.00 0.00 H new ATOM 0 HD2 ARG A 24 12.972 -10.899 -5.746 1.00 0.00 H new ATOM 0 HD3 ARG A 24 13.616 -9.709 -6.860 1.00 0.00 H new ATOM 0 HE ARG A 24 13.467 -11.978 -8.425 1.00 0.00 H new ATOM 0 HH11 ARG A 24 11.205 -10.262 -6.326 1.00 0.00 H new ATOM 0 HH12 ARG A 24 9.790 -10.734 -7.272 1.00 0.00 H new ATOM 0 HH21 ARG A 24 11.644 -12.581 -9.634 1.00 0.00 H new ATOM 0 HH22 ARG A 24 10.037 -12.042 -9.137 1.00 0.00 H new ATOM 340 N GLY A 25 15.840 -8.863 -2.596 1.00 0.00 N ATOM 341 CA GLY A 25 16.269 -8.639 -1.228 1.00 0.00 C ATOM 342 C GLY A 25 15.477 -7.543 -0.544 1.00 0.00 C ATOM 343 O GLY A 25 15.245 -6.482 -1.123 1.00 0.00 O ATOM 0 H GLY A 25 14.891 -8.551 -2.804 1.00 0.00 H new ATOM 0 HA2 GLY A 25 16.166 -9.565 -0.662 1.00 0.00 H new ATOM 0 HA3 GLY A 25 17.327 -8.377 -1.221 1.00 0.00 H new ATOM 347 N TRP A 26 15.059 -7.800 0.690 1.00 0.00 N ATOM 348 CA TRP A 26 14.285 -6.827 1.453 1.00 0.00 C ATOM 349 C TRP A 26 15.084 -5.546 1.670 1.00 0.00 C ATOM 350 O TRP A 26 16.315 -5.555 1.627 1.00 0.00 O ATOM 351 CB TRP A 26 13.870 -7.418 2.801 1.00 0.00 C ATOM 352 CG TRP A 26 13.058 -8.672 2.675 1.00 0.00 C ATOM 353 CD1 TRP A 26 13.506 -9.955 2.811 1.00 0.00 C ATOM 354 CD2 TRP A 26 11.659 -8.761 2.386 1.00 0.00 C ATOM 355 NE1 TRP A 26 12.469 -10.837 2.623 1.00 0.00 N ATOM 356 CE2 TRP A 26 11.325 -10.130 2.362 1.00 0.00 C ATOM 357 CE3 TRP A 26 10.655 -7.819 2.147 1.00 0.00 C ATOM 358 CZ2 TRP A 26 10.031 -10.575 2.108 1.00 0.00 C ATOM 359 CZ3 TRP A 26 9.371 -8.263 1.894 1.00 0.00 C ATOM 360 CH2 TRP A 26 9.068 -9.631 1.877 1.00 0.00 C ATOM 0 H TRP A 26 15.243 -8.673 1.184 1.00 0.00 H new ATOM 0 HA TRP A 26 13.390 -6.583 0.881 1.00 0.00 H new ATOM 0 HB2 TRP A 26 14.764 -7.630 3.387 1.00 0.00 H new ATOM 0 HB3 TRP A 26 13.295 -6.675 3.354 1.00 0.00 H new ATOM 0 HD1 TRP A 26 14.525 -10.235 3.033 1.00 0.00 H new ATOM 0 HE1 TRP A 26 12.540 -11.853 2.670 1.00 0.00 H new ATOM 0 HE3 TRP A 26 10.879 -6.762 2.160 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 9.795 -11.629 2.094 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 8.588 -7.543 1.706 1.00 0.00 H new ATOM 0 HH2 TRP A 26 8.054 -9.946 1.678 1.00 0.00 H new ATOM 371 N LYS A 27 14.378 -4.446 1.905 1.00 0.00 N ATOM 372 CA LYS A 27 15.021 -3.157 2.130 1.00 0.00 C ATOM 373 C LYS A 27 14.265 -2.348 3.179 1.00 0.00 C ATOM 374 O LYS A 27 13.232 -2.784 3.687 1.00 0.00 O ATOM 375 CB LYS A 27 15.101 -2.367 0.822 1.00 0.00 C ATOM 376 CG LYS A 27 16.288 -2.747 -0.046 1.00 0.00 C ATOM 377 CD LYS A 27 16.354 -1.896 -1.304 1.00 0.00 C ATOM 378 CE LYS A 27 17.661 -2.108 -2.052 1.00 0.00 C ATOM 379 NZ LYS A 27 17.819 -1.145 -3.177 1.00 0.00 N ATOM 0 H LYS A 27 13.359 -4.421 1.945 1.00 0.00 H new ATOM 0 HA LYS A 27 16.030 -3.343 2.497 1.00 0.00 H new ATOM 0 HB2 LYS A 27 14.183 -2.524 0.256 1.00 0.00 H new ATOM 0 HB3 LYS A 27 15.156 -1.303 1.053 1.00 0.00 H new ATOM 0 HG2 LYS A 27 17.210 -2.628 0.524 1.00 0.00 H new ATOM 0 HG3 LYS A 27 16.217 -3.799 -0.321 1.00 0.00 H new ATOM 0 HD2 LYS A 27 15.516 -2.143 -1.956 1.00 0.00 H new ATOM 0 HD3 LYS A 27 16.252 -0.844 -1.039 1.00 0.00 H new ATOM 0 HE2 LYS A 27 18.497 -1.999 -1.361 1.00 0.00 H new ATOM 0 HE3 LYS A 27 17.697 -3.127 -2.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 18.722 -1.322 -3.662 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 17.035 -1.266 -3.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 17.810 -0.173 -2.806 1.00 0.00 H new ATOM 393 N SER A 28 14.786 -1.167 3.498 1.00 0.00 N ATOM 394 CA SER A 28 14.160 -0.298 4.489 1.00 0.00 C ATOM 395 C SER A 28 13.694 1.006 3.849 1.00 0.00 C ATOM 396 O SER A 28 14.503 1.876 3.526 1.00 0.00 O ATOM 397 CB SER A 28 15.138 -0.001 5.627 1.00 0.00 C ATOM 398 OG SER A 28 15.600 -1.197 6.229 1.00 0.00 O ATOM 0 H SER A 28 15.639 -0.790 3.085 1.00 0.00 H new ATOM 0 HA SER A 28 13.290 -0.815 4.894 1.00 0.00 H new ATOM 0 HB2 SER A 28 15.985 0.567 5.243 1.00 0.00 H new ATOM 0 HB3 SER A 28 14.650 0.622 6.377 1.00 0.00 H new ATOM 0 HG SER A 28 16.225 -0.979 6.952 1.00 0.00 H new ATOM 404 N ARG A 29 12.383 1.135 3.671 1.00 0.00 N ATOM 405 CA ARG A 29 11.808 2.331 3.069 1.00 0.00 C ATOM 406 C ARG A 29 10.479 2.686 3.730 1.00 0.00 C ATOM 407 O ARG A 29 9.792 1.819 4.270 1.00 0.00 O ATOM 408 CB ARG A 29 11.604 2.126 1.567 1.00 0.00 C ATOM 409 CG ARG A 29 12.902 1.948 0.796 1.00 0.00 C ATOM 410 CD ARG A 29 12.810 2.556 -0.595 1.00 0.00 C ATOM 411 NE ARG A 29 13.605 1.813 -1.570 1.00 0.00 N ATOM 412 CZ ARG A 29 13.291 0.595 -1.998 1.00 0.00 C ATOM 413 NH1 ARG A 29 12.207 -0.014 -1.540 1.00 0.00 N ATOM 414 NH2 ARG A 29 14.064 -0.016 -2.887 1.00 0.00 N ATOM 0 H ARG A 29 11.699 0.426 3.935 1.00 0.00 H new ATOM 0 HA ARG A 29 12.504 3.155 3.224 1.00 0.00 H new ATOM 0 HB2 ARG A 29 10.975 1.250 1.410 1.00 0.00 H new ATOM 0 HB3 ARG A 29 11.065 2.982 1.162 1.00 0.00 H new ATOM 0 HG2 ARG A 29 13.720 2.415 1.345 1.00 0.00 H new ATOM 0 HG3 ARG A 29 13.137 0.887 0.716 1.00 0.00 H new ATOM 0 HD2 ARG A 29 11.768 2.574 -0.915 1.00 0.00 H new ATOM 0 HD3 ARG A 29 13.151 3.591 -0.562 1.00 0.00 H new ATOM 0 HE ARG A 29 14.447 2.253 -1.942 1.00 0.00 H new ATOM 0 HH11 ARG A 29 11.610 0.452 -0.857 1.00 0.00 H new ATOM 0 HH12 ARG A 29 11.969 -0.949 -1.871 1.00 0.00 H new ATOM 0 HH21 ARG A 29 14.899 0.449 -3.242 1.00 0.00 H new ATOM 0 HH22 ARG A 29 13.823 -0.951 -3.215 1.00 0.00 H new ATOM 428 N TRP A 30 10.124 3.965 3.683 1.00 0.00 N ATOM 429 CA TRP A 30 8.877 4.435 4.277 1.00 0.00 C ATOM 430 C TRP A 30 7.743 4.404 3.258 1.00 0.00 C ATOM 431 O TRP A 30 7.846 4.995 2.183 1.00 0.00 O ATOM 432 CB TRP A 30 9.051 5.853 4.823 1.00 0.00 C ATOM 433 CG TRP A 30 7.753 6.572 5.033 1.00 0.00 C ATOM 434 CD1 TRP A 30 7.226 7.558 4.248 1.00 0.00 C ATOM 435 CD2 TRP A 30 6.820 6.362 6.098 1.00 0.00 C ATOM 436 NE1 TRP A 30 6.021 7.973 4.762 1.00 0.00 N ATOM 437 CE2 TRP A 30 5.749 7.255 5.896 1.00 0.00 C ATOM 438 CE3 TRP A 30 6.783 5.506 7.202 1.00 0.00 C ATOM 439 CZ2 TRP A 30 4.657 7.315 6.758 1.00 0.00 C ATOM 440 CZ3 TRP A 30 5.699 5.567 8.056 1.00 0.00 C ATOM 441 CH2 TRP A 30 4.648 6.465 7.830 1.00 0.00 C ATOM 0 H TRP A 30 10.682 4.695 3.240 1.00 0.00 H new ATOM 0 HA TRP A 30 8.620 3.766 5.099 1.00 0.00 H new ATOM 0 HB2 TRP A 30 9.590 5.807 5.769 1.00 0.00 H new ATOM 0 HB3 TRP A 30 9.669 6.427 4.132 1.00 0.00 H new ATOM 0 HD1 TRP A 30 7.688 7.953 3.355 1.00 0.00 H new ATOM 0 HE1 TRP A 30 5.425 8.699 4.363 1.00 0.00 H new ATOM 0 HE3 TRP A 30 7.588 4.809 7.384 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 3.846 8.008 6.586 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 5.661 4.911 8.913 1.00 0.00 H new ATOM 0 HH2 TRP A 30 3.814 6.487 8.516 1.00 0.00 H new ATOM 452 N PHE A 31 6.662 3.713 3.603 1.00 0.00 N ATOM 453 CA PHE A 31 5.509 3.606 2.718 1.00 0.00 C ATOM 454 C PHE A 31 4.316 4.371 3.283 1.00 0.00 C ATOM 455 O PHE A 31 4.062 4.345 4.488 1.00 0.00 O ATOM 456 CB PHE A 31 5.134 2.137 2.509 1.00 0.00 C ATOM 457 CG PHE A 31 6.119 1.382 1.662 1.00 0.00 C ATOM 458 CD1 PHE A 31 7.383 1.084 2.145 1.00 0.00 C ATOM 459 CD2 PHE A 31 5.780 0.969 0.384 1.00 0.00 C ATOM 460 CE1 PHE A 31 8.291 0.390 1.368 1.00 0.00 C ATOM 461 CE2 PHE A 31 6.683 0.274 -0.398 1.00 0.00 C ATOM 462 CZ PHE A 31 7.940 -0.016 0.095 1.00 0.00 C ATOM 0 H PHE A 31 6.561 3.219 4.489 1.00 0.00 H new ATOM 0 HA PHE A 31 5.778 4.046 1.758 1.00 0.00 H new ATOM 0 HB2 PHE A 31 5.053 1.649 3.480 1.00 0.00 H new ATOM 0 HB3 PHE A 31 4.150 2.084 2.043 1.00 0.00 H new ATOM 0 HD1 PHE A 31 7.662 1.398 3.140 1.00 0.00 H new ATOM 0 HD2 PHE A 31 4.798 1.193 -0.006 1.00 0.00 H new ATOM 0 HE1 PHE A 31 9.274 0.165 1.755 1.00 0.00 H new ATOM 0 HE2 PHE A 31 6.406 -0.042 -1.393 1.00 0.00 H new ATOM 0 HZ PHE A 31 8.648 -0.559 -0.514 1.00 0.00 H new ATOM 472 N PHE A 32 3.587 5.051 2.405 1.00 0.00 N ATOM 473 CA PHE A 32 2.421 5.826 2.815 1.00 0.00 C ATOM 474 C PHE A 32 1.406 5.924 1.680 1.00 0.00 C ATOM 475 O PHE A 32 1.775 6.000 0.508 1.00 0.00 O ATOM 476 CB PHE A 32 2.844 7.227 3.259 1.00 0.00 C ATOM 477 CG PHE A 32 3.303 8.102 2.127 1.00 0.00 C ATOM 478 CD1 PHE A 32 2.387 8.814 1.370 1.00 0.00 C ATOM 479 CD2 PHE A 32 4.650 8.211 1.821 1.00 0.00 C ATOM 480 CE1 PHE A 32 2.806 9.620 0.328 1.00 0.00 C ATOM 481 CE2 PHE A 32 5.074 9.016 0.780 1.00 0.00 C ATOM 482 CZ PHE A 32 4.151 9.720 0.032 1.00 0.00 C ATOM 0 H PHE A 32 3.783 5.081 1.404 1.00 0.00 H new ATOM 0 HA PHE A 32 1.952 5.313 3.654 1.00 0.00 H new ATOM 0 HB2 PHE A 32 2.006 7.708 3.763 1.00 0.00 H new ATOM 0 HB3 PHE A 32 3.648 7.141 3.990 1.00 0.00 H new ATOM 0 HD1 PHE A 32 1.334 8.739 1.596 1.00 0.00 H new ATOM 0 HD2 PHE A 32 5.376 7.661 2.402 1.00 0.00 H new ATOM 0 HE1 PHE A 32 2.082 10.171 -0.254 1.00 0.00 H new ATOM 0 HE2 PHE A 32 6.127 9.094 0.552 1.00 0.00 H new ATOM 0 HZ PHE A 32 4.480 10.348 -0.783 1.00 0.00 H new ATOM 492 N TYR A 33 0.127 5.922 2.036 1.00 0.00 N ATOM 493 CA TYR A 33 -0.942 6.008 1.049 1.00 0.00 C ATOM 494 C TYR A 33 -1.382 7.454 0.846 1.00 0.00 C ATOM 495 O TYR A 33 -1.311 8.271 1.765 1.00 0.00 O ATOM 496 CB TYR A 33 -2.136 5.156 1.483 1.00 0.00 C ATOM 497 CG TYR A 33 -3.418 5.494 0.755 1.00 0.00 C ATOM 498 CD1 TYR A 33 -4.143 6.635 1.078 1.00 0.00 C ATOM 499 CD2 TYR A 33 -3.904 4.673 -0.254 1.00 0.00 C ATOM 500 CE1 TYR A 33 -5.315 6.948 0.417 1.00 0.00 C ATOM 501 CE2 TYR A 33 -5.074 4.979 -0.922 1.00 0.00 C ATOM 502 CZ TYR A 33 -5.776 6.117 -0.583 1.00 0.00 C ATOM 503 OH TYR A 33 -6.942 6.424 -1.245 1.00 0.00 O ATOM 0 H TYR A 33 -0.195 5.862 3.002 1.00 0.00 H new ATOM 0 HA TYR A 33 -0.558 5.628 0.102 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -1.901 4.105 1.318 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -2.292 5.283 2.554 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -3.784 7.288 1.859 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -3.358 3.780 -0.521 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -5.867 7.838 0.682 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -5.437 4.331 -1.706 1.00 0.00 H new ATOM 0 HH TYR A 33 -7.313 7.257 -0.885 1.00 0.00 H new ATOM 513 N ASP A 34 -1.836 7.764 -0.363 1.00 0.00 N ATOM 514 CA ASP A 34 -2.290 9.111 -0.688 1.00 0.00 C ATOM 515 C ASP A 34 -3.795 9.133 -0.937 1.00 0.00 C ATOM 516 O ASP A 34 -4.310 8.361 -1.746 1.00 0.00 O ATOM 517 CB ASP A 34 -1.549 9.639 -1.917 1.00 0.00 C ATOM 518 CG ASP A 34 -1.514 11.154 -1.966 1.00 0.00 C ATOM 519 OD1 ASP A 34 -2.489 11.785 -1.508 1.00 0.00 O ATOM 520 OD2 ASP A 34 -0.510 11.708 -2.461 1.00 0.00 O ATOM 0 H ASP A 34 -1.900 7.100 -1.135 1.00 0.00 H new ATOM 0 HA ASP A 34 -2.072 9.756 0.163 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -0.529 9.255 -1.915 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -2.031 9.260 -2.818 1.00 0.00 H new ATOM 525 N GLU A 35 -4.493 10.021 -0.237 1.00 0.00 N ATOM 526 CA GLU A 35 -5.939 10.140 -0.382 1.00 0.00 C ATOM 527 C GLU A 35 -6.296 11.209 -1.410 1.00 0.00 C ATOM 528 O GLU A 35 -7.401 11.753 -1.399 1.00 0.00 O ATOM 529 CB GLU A 35 -6.583 10.478 0.965 1.00 0.00 C ATOM 530 CG GLU A 35 -5.956 11.678 1.655 1.00 0.00 C ATOM 531 CD GLU A 35 -6.927 12.396 2.572 1.00 0.00 C ATOM 532 OE1 GLU A 35 -7.672 11.709 3.303 1.00 0.00 O ATOM 533 OE2 GLU A 35 -6.941 13.644 2.560 1.00 0.00 O ATOM 0 H GLU A 35 -4.081 10.668 0.436 1.00 0.00 H new ATOM 0 HA GLU A 35 -6.324 9.181 -0.731 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -7.645 10.671 0.812 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -6.508 9.611 1.622 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -5.092 11.350 2.232 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -5.590 12.376 0.902 1.00 0.00 H new ATOM 540 N ARG A 36 -5.353 11.506 -2.298 1.00 0.00 N ATOM 541 CA ARG A 36 -5.566 12.511 -3.333 1.00 0.00 C ATOM 542 C ARG A 36 -5.713 11.857 -4.704 1.00 0.00 C ATOM 543 O ARG A 36 -6.620 12.188 -5.468 1.00 0.00 O ATOM 544 CB ARG A 36 -4.406 13.508 -3.353 1.00 0.00 C ATOM 545 CG ARG A 36 -4.237 14.271 -2.050 1.00 0.00 C ATOM 546 CD ARG A 36 -3.437 15.548 -2.252 1.00 0.00 C ATOM 547 NE ARG A 36 -3.727 16.545 -1.225 1.00 0.00 N ATOM 548 CZ ARG A 36 -3.287 17.797 -1.271 1.00 0.00 C ATOM 549 NH1 ARG A 36 -2.541 18.205 -2.288 1.00 0.00 N ATOM 550 NH2 ARG A 36 -3.593 18.646 -0.298 1.00 0.00 N ATOM 0 H ARG A 36 -4.434 11.065 -2.322 1.00 0.00 H new ATOM 0 HA ARG A 36 -6.489 13.043 -3.103 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -3.482 12.973 -3.574 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -4.564 14.220 -4.163 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -5.217 14.515 -1.640 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -3.735 13.638 -1.319 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -2.372 15.314 -2.240 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -3.661 15.964 -3.234 1.00 0.00 H new ATOM 0 HE ARG A 36 -4.299 16.264 -0.429 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -2.303 17.556 -3.039 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -2.205 19.167 -2.320 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -4.167 18.337 0.487 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -3.254 19.607 -0.335 1.00 0.00 H new ATOM 564 N LYS A 37 -4.814 10.928 -5.009 1.00 0.00 N ATOM 565 CA LYS A 37 -4.842 10.226 -6.287 1.00 0.00 C ATOM 566 C LYS A 37 -5.153 8.746 -6.089 1.00 0.00 C ATOM 567 O LYS A 37 -5.079 7.955 -7.030 1.00 0.00 O ATOM 568 CB LYS A 37 -3.501 10.383 -7.008 1.00 0.00 C ATOM 569 CG LYS A 37 -3.073 11.830 -7.188 1.00 0.00 C ATOM 570 CD LYS A 37 -1.806 11.937 -8.018 1.00 0.00 C ATOM 571 CE LYS A 37 -0.983 13.155 -7.625 1.00 0.00 C ATOM 572 NZ LYS A 37 -0.397 13.012 -6.263 1.00 0.00 N ATOM 0 H LYS A 37 -4.056 10.643 -4.388 1.00 0.00 H new ATOM 0 HA LYS A 37 -5.630 10.667 -6.897 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -2.732 9.852 -6.447 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -3.566 9.908 -7.987 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -3.874 12.390 -7.671 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -2.909 12.286 -6.212 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -1.208 11.035 -7.888 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -2.066 11.998 -9.075 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -0.183 13.303 -8.351 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -1.612 14.045 -7.658 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 0.445 13.617 -6.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -1.099 13.299 -5.551 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -0.128 12.020 -6.103 1.00 0.00 H new ATOM 586 N CYS A 38 -5.502 8.379 -4.861 1.00 0.00 N ATOM 587 CA CYS A 38 -5.826 6.994 -4.539 1.00 0.00 C ATOM 588 C CYS A 38 -4.682 6.064 -4.930 1.00 0.00 C ATOM 589 O CYS A 38 -4.908 4.973 -5.454 1.00 0.00 O ATOM 590 CB CYS A 38 -7.111 6.570 -5.253 1.00 0.00 C ATOM 591 SG CYS A 38 -8.610 7.333 -4.591 1.00 0.00 S ATOM 0 H CYS A 38 -5.568 9.022 -4.072 1.00 0.00 H new ATOM 0 HA CYS A 38 -5.977 6.922 -3.462 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -7.026 6.820 -6.310 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -7.209 5.486 -5.189 1.00 0.00 H new ATOM 0 HG CYS A 38 -9.642 6.914 -5.261 1.00 0.00 H new ATOM 597 N GLN A 39 -3.455 6.503 -4.672 1.00 0.00 N ATOM 598 CA GLN A 39 -2.275 5.710 -4.999 1.00 0.00 C ATOM 599 C GLN A 39 -1.375 5.546 -3.779 1.00 0.00 C ATOM 600 O GLN A 39 -1.425 6.346 -2.844 1.00 0.00 O ATOM 601 CB GLN A 39 -1.495 6.366 -6.139 1.00 0.00 C ATOM 602 CG GLN A 39 -2.162 6.218 -7.497 1.00 0.00 C ATOM 603 CD GLN A 39 -1.252 6.617 -8.641 1.00 0.00 C ATOM 604 OE1 GLN A 39 -0.889 7.786 -8.782 1.00 0.00 O ATOM 605 NE2 GLN A 39 -0.877 5.647 -9.467 1.00 0.00 N ATOM 0 H GLN A 39 -3.251 7.403 -4.238 1.00 0.00 H new ATOM 0 HA GLN A 39 -2.608 4.722 -5.317 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -1.369 7.426 -5.919 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -0.497 5.929 -6.184 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -2.477 5.183 -7.632 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -3.063 6.831 -7.524 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -1.201 4.692 -9.313 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -0.265 5.857 -10.255 1.00 0.00 H new ATOM 614 N LEU A 40 -0.551 4.503 -3.794 1.00 0.00 N ATOM 615 CA LEU A 40 0.361 4.233 -2.688 1.00 0.00 C ATOM 616 C LEU A 40 1.762 4.751 -3.000 1.00 0.00 C ATOM 617 O LEU A 40 2.448 4.226 -3.876 1.00 0.00 O ATOM 618 CB LEU A 40 0.413 2.732 -2.399 1.00 0.00 C ATOM 619 CG LEU A 40 1.410 2.289 -1.328 1.00 0.00 C ATOM 620 CD1 LEU A 40 0.940 2.722 0.051 1.00 0.00 C ATOM 621 CD2 LEU A 40 1.609 0.781 -1.377 1.00 0.00 C ATOM 0 H LEU A 40 -0.496 3.831 -4.560 1.00 0.00 H new ATOM 0 HA LEU A 40 -0.012 4.754 -1.806 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -0.582 2.406 -2.098 1.00 0.00 H new ATOM 0 HB3 LEU A 40 0.652 2.212 -3.327 1.00 0.00 H new ATOM 0 HG LEU A 40 2.368 2.769 -1.529 1.00 0.00 H new ATOM 0 HD11 LEU A 40 1.662 2.398 0.800 1.00 0.00 H new ATOM 0 HD12 LEU A 40 0.850 3.808 0.080 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -0.030 2.271 0.263 1.00 0.00 H new ATOM 0 HD21 LEU A 40 2.322 0.483 -0.608 1.00 0.00 H new ATOM 0 HD22 LEU A 40 0.656 0.282 -1.201 1.00 0.00 H new ATOM 0 HD23 LEU A 40 1.992 0.496 -2.357 1.00 0.00 H new ATOM 633 N TYR A 41 2.180 5.782 -2.274 1.00 0.00 N ATOM 634 CA TYR A 41 3.499 6.371 -2.473 1.00 0.00 C ATOM 635 C TYR A 41 4.460 5.940 -1.369 1.00 0.00 C ATOM 636 O TYR A 41 4.062 5.767 -0.217 1.00 0.00 O ATOM 637 CB TYR A 41 3.399 7.897 -2.510 1.00 0.00 C ATOM 638 CG TYR A 41 2.621 8.424 -3.695 1.00 0.00 C ATOM 639 CD1 TYR A 41 1.231 8.408 -3.702 1.00 0.00 C ATOM 640 CD2 TYR A 41 3.275 8.940 -4.807 1.00 0.00 C ATOM 641 CE1 TYR A 41 0.517 8.887 -4.782 1.00 0.00 C ATOM 642 CE2 TYR A 41 2.568 9.423 -5.891 1.00 0.00 C ATOM 643 CZ TYR A 41 1.190 9.394 -5.874 1.00 0.00 C ATOM 644 OH TYR A 41 0.481 9.874 -6.952 1.00 0.00 O ATOM 0 H TYR A 41 1.625 6.227 -1.543 1.00 0.00 H new ATOM 0 HA TYR A 41 3.887 6.016 -3.427 1.00 0.00 H new ATOM 0 HB2 TYR A 41 2.925 8.244 -1.592 1.00 0.00 H new ATOM 0 HB3 TYR A 41 4.404 8.318 -2.529 1.00 0.00 H new ATOM 0 HD1 TYR A 41 0.701 8.014 -2.848 1.00 0.00 H new ATOM 0 HD2 TYR A 41 4.355 8.964 -4.824 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -0.563 8.865 -4.772 1.00 0.00 H new ATOM 0 HE2 TYR A 41 3.092 9.821 -6.747 1.00 0.00 H new ATOM 0 HH TYR A 41 0.084 9.124 -7.443 1.00 0.00 H new ATOM 654 N TYR A 42 5.727 5.770 -1.730 1.00 0.00 N ATOM 655 CA TYR A 42 6.746 5.358 -0.772 1.00 0.00 C ATOM 656 C TYR A 42 8.089 6.007 -1.092 1.00 0.00 C ATOM 657 O TYR A 42 8.393 6.293 -2.250 1.00 0.00 O ATOM 658 CB TYR A 42 6.890 3.835 -0.773 1.00 0.00 C ATOM 659 CG TYR A 42 7.503 3.285 -2.041 1.00 0.00 C ATOM 660 CD1 TYR A 42 8.846 3.492 -2.332 1.00 0.00 C ATOM 661 CD2 TYR A 42 6.740 2.561 -2.948 1.00 0.00 C ATOM 662 CE1 TYR A 42 9.411 2.992 -3.490 1.00 0.00 C ATOM 663 CE2 TYR A 42 7.297 2.056 -4.107 1.00 0.00 C ATOM 664 CZ TYR A 42 8.632 2.274 -4.374 1.00 0.00 C ATOM 665 OH TYR A 42 9.190 1.775 -5.528 1.00 0.00 O ATOM 0 H TYR A 42 6.073 5.911 -2.679 1.00 0.00 H new ATOM 0 HA TYR A 42 6.431 5.686 0.219 1.00 0.00 H new ATOM 0 HB2 TYR A 42 7.504 3.536 0.077 1.00 0.00 H new ATOM 0 HB3 TYR A 42 5.907 3.386 -0.630 1.00 0.00 H new ATOM 0 HD1 TYR A 42 9.459 4.053 -1.642 1.00 0.00 H new ATOM 0 HD2 TYR A 42 5.693 2.390 -2.744 1.00 0.00 H new ATOM 0 HE1 TYR A 42 10.456 3.162 -3.702 1.00 0.00 H new ATOM 0 HE2 TYR A 42 6.690 1.493 -4.800 1.00 0.00 H new ATOM 0 HH TYR A 42 8.507 1.293 -6.040 1.00 0.00 H new ATOM 675 N SER A 43 8.889 6.237 -0.056 1.00 0.00 N ATOM 676 CA SER A 43 10.199 6.855 -0.225 1.00 0.00 C ATOM 677 C SER A 43 11.220 6.232 0.723 1.00 0.00 C ATOM 678 O SER A 43 10.920 5.271 1.431 1.00 0.00 O ATOM 679 CB SER A 43 10.111 8.362 0.022 1.00 0.00 C ATOM 680 OG SER A 43 9.105 8.665 0.974 1.00 0.00 O ATOM 0 H SER A 43 8.653 6.005 0.909 1.00 0.00 H new ATOM 0 HA SER A 43 10.526 6.680 -1.250 1.00 0.00 H new ATOM 0 HB2 SER A 43 11.073 8.733 0.375 1.00 0.00 H new ATOM 0 HB3 SER A 43 9.896 8.875 -0.915 1.00 0.00 H new ATOM 0 HG SER A 43 9.509 8.739 1.864 1.00 0.00 H new ATOM 686 N ARG A 44 12.428 6.787 0.729 1.00 0.00 N ATOM 687 CA ARG A 44 13.494 6.286 1.588 1.00 0.00 C ATOM 688 C ARG A 44 13.145 6.483 3.060 1.00 0.00 C ATOM 689 O ARG A 44 13.489 5.659 3.907 1.00 0.00 O ATOM 690 CB ARG A 44 14.812 6.993 1.266 1.00 0.00 C ATOM 691 CG ARG A 44 15.224 6.879 -0.193 1.00 0.00 C ATOM 692 CD ARG A 44 14.670 8.028 -1.020 1.00 0.00 C ATOM 693 NE ARG A 44 15.538 8.361 -2.146 1.00 0.00 N ATOM 694 CZ ARG A 44 16.776 8.824 -2.007 1.00 0.00 C ATOM 695 NH1 ARG A 44 17.287 9.008 -0.798 1.00 0.00 N ATOM 696 NH2 ARG A 44 17.505 9.104 -3.080 1.00 0.00 N ATOM 0 H ARG A 44 12.692 7.583 0.149 1.00 0.00 H new ATOM 0 HA ARG A 44 13.606 5.218 1.399 1.00 0.00 H new ATOM 0 HB2 ARG A 44 14.722 8.047 1.528 1.00 0.00 H new ATOM 0 HB3 ARG A 44 15.601 6.575 1.891 1.00 0.00 H new ATOM 0 HG2 ARG A 44 16.312 6.869 -0.265 1.00 0.00 H new ATOM 0 HG3 ARG A 44 14.869 5.932 -0.600 1.00 0.00 H new ATOM 0 HD2 ARG A 44 13.680 7.763 -1.392 1.00 0.00 H new ATOM 0 HD3 ARG A 44 14.548 8.905 -0.385 1.00 0.00 H new ATOM 0 HE ARG A 44 15.175 8.231 -3.090 1.00 0.00 H new ATOM 0 HH11 ARG A 44 16.730 8.794 0.029 1.00 0.00 H new ATOM 0 HH12 ARG A 44 18.237 9.363 -0.695 1.00 0.00 H new ATOM 0 HH21 ARG A 44 17.115 8.964 -4.012 1.00 0.00 H new ATOM 0 HH22 ARG A 44 18.455 9.459 -2.973 1.00 0.00 H new ATOM 710 N THR A 45 12.459 7.583 3.358 1.00 0.00 N ATOM 711 CA THR A 45 12.065 7.890 4.727 1.00 0.00 C ATOM 712 C THR A 45 10.740 8.644 4.761 1.00 0.00 C ATOM 713 O THR A 45 10.151 8.930 3.720 1.00 0.00 O ATOM 714 CB THR A 45 13.139 8.729 5.446 1.00 0.00 C ATOM 715 OG1 THR A 45 12.964 10.116 5.138 1.00 0.00 O ATOM 716 CG2 THR A 45 14.535 8.286 5.037 1.00 0.00 C ATOM 0 H THR A 45 12.165 8.276 2.669 1.00 0.00 H new ATOM 0 HA THR A 45 11.952 6.938 5.245 1.00 0.00 H new ATOM 0 HB THR A 45 13.027 8.579 6.520 1.00 0.00 H new ATOM 0 HG1 THR A 45 13.320 10.300 4.244 1.00 0.00 H new ATOM 0 HG21 THR A 45 15.276 8.893 5.557 1.00 0.00 H new ATOM 0 HG22 THR A 45 14.675 7.237 5.299 1.00 0.00 H new ATOM 0 HG23 THR A 45 14.655 8.410 3.961 1.00 0.00 H new ATOM 724 N ALA A 46 10.278 8.963 5.966 1.00 0.00 N ATOM 725 CA ALA A 46 9.023 9.686 6.135 1.00 0.00 C ATOM 726 C ALA A 46 9.242 11.192 6.046 1.00 0.00 C ATOM 727 O ALA A 46 8.303 11.951 5.806 1.00 0.00 O ATOM 728 CB ALA A 46 8.380 9.322 7.465 1.00 0.00 C ATOM 0 H ALA A 46 10.753 8.732 6.839 1.00 0.00 H new ATOM 0 HA ALA A 46 8.352 9.394 5.327 1.00 0.00 H new ATOM 0 HB1 ALA A 46 7.444 9.869 7.578 1.00 0.00 H new ATOM 0 HB2 ALA A 46 8.180 8.251 7.491 1.00 0.00 H new ATOM 0 HB3 ALA A 46 9.055 9.585 8.280 1.00 0.00 H new ATOM 734 N GLN A 47 10.486 11.618 6.241 1.00 0.00 N ATOM 735 CA GLN A 47 10.826 13.035 6.184 1.00 0.00 C ATOM 736 C GLN A 47 10.867 13.526 4.741 1.00 0.00 C ATOM 737 O GLN A 47 10.764 14.725 4.480 1.00 0.00 O ATOM 738 CB GLN A 47 12.175 13.284 6.859 1.00 0.00 C ATOM 739 CG GLN A 47 12.135 13.142 8.372 1.00 0.00 C ATOM 740 CD GLN A 47 11.143 14.087 9.020 1.00 0.00 C ATOM 741 OE1 GLN A 47 11.277 15.307 8.925 1.00 0.00 O ATOM 742 NE2 GLN A 47 10.139 13.526 9.686 1.00 0.00 N ATOM 0 H GLN A 47 11.275 11.003 6.440 1.00 0.00 H new ATOM 0 HA GLN A 47 10.054 13.591 6.716 1.00 0.00 H new ATOM 0 HB2 GLN A 47 12.908 12.585 6.456 1.00 0.00 H new ATOM 0 HB3 GLN A 47 12.519 14.287 6.606 1.00 0.00 H new ATOM 0 HG2 GLN A 47 11.875 12.115 8.630 1.00 0.00 H new ATOM 0 HG3 GLN A 47 13.129 13.331 8.777 1.00 0.00 H new ATOM 0 HE21 GLN A 47 10.067 12.510 9.739 1.00 0.00 H new ATOM 0 HE22 GLN A 47 9.441 14.112 10.144 1.00 0.00 H new ATOM 751 N ASP A 48 11.018 12.594 3.807 1.00 0.00 N ATOM 752 CA ASP A 48 11.072 12.932 2.389 1.00 0.00 C ATOM 753 C ASP A 48 9.670 13.149 1.829 1.00 0.00 C ATOM 754 O ASP A 48 9.156 12.320 1.078 1.00 0.00 O ATOM 755 CB ASP A 48 11.783 11.827 1.606 1.00 0.00 C ATOM 756 CG ASP A 48 13.289 11.883 1.764 1.00 0.00 C ATOM 757 OD1 ASP A 48 13.940 12.615 0.990 1.00 0.00 O ATOM 758 OD2 ASP A 48 13.818 11.195 2.662 1.00 0.00 O ATOM 0 H ASP A 48 11.105 11.597 4.006 1.00 0.00 H new ATOM 0 HA ASP A 48 11.634 13.860 2.283 1.00 0.00 H new ATOM 0 HB2 ASP A 48 11.421 10.856 1.944 1.00 0.00 H new ATOM 0 HB3 ASP A 48 11.528 11.912 0.550 1.00 0.00 H new ATOM 763 N ALA A 49 9.056 14.268 2.199 1.00 0.00 N ATOM 764 CA ALA A 49 7.714 14.594 1.733 1.00 0.00 C ATOM 765 C ALA A 49 7.520 14.170 0.281 1.00 0.00 C ATOM 766 O ALA A 49 6.413 13.827 -0.132 1.00 0.00 O ATOM 767 CB ALA A 49 7.448 16.084 1.890 1.00 0.00 C ATOM 0 H ALA A 49 9.467 14.964 2.821 1.00 0.00 H new ATOM 0 HA ALA A 49 6.999 14.043 2.344 1.00 0.00 H new ATOM 0 HB1 ALA A 49 6.442 16.313 1.538 1.00 0.00 H new ATOM 0 HB2 ALA A 49 7.537 16.361 2.941 1.00 0.00 H new ATOM 0 HB3 ALA A 49 8.174 16.647 1.304 1.00 0.00 H new ATOM 773 N ASN A 50 8.603 14.197 -0.489 1.00 0.00 N ATOM 774 CA ASN A 50 8.550 13.816 -1.896 1.00 0.00 C ATOM 775 C ASN A 50 8.792 12.319 -2.064 1.00 0.00 C ATOM 776 O ASN A 50 9.904 11.821 -1.884 1.00 0.00 O ATOM 777 CB ASN A 50 9.587 14.605 -2.698 1.00 0.00 C ATOM 778 CG ASN A 50 9.714 16.040 -2.225 1.00 0.00 C ATOM 779 OD1 ASN A 50 10.528 16.255 -1.198 1.00 0.00 O flip ATOM 780 ND2 ASN A 50 9.087 16.945 -2.778 1.00 0.00 N flip ATOM 0 H ASN A 50 9.527 14.479 -0.163 1.00 0.00 H new ATOM 0 HA ASN A 50 7.554 14.049 -2.273 1.00 0.00 H new ATOM 0 HB2 ASN A 50 10.556 14.112 -2.618 1.00 0.00 H new ATOM 0 HB3 ASN A 50 9.311 14.596 -3.752 1.00 0.00 H new ATOM 0 HD21 ASN A 50 8.473 16.733 -3.564 1.00 0.00 H new ATOM 0 HD22 ASN A 50 9.182 17.906 -2.450 1.00 0.00 H new ATOM 787 N PRO A 51 7.728 11.584 -2.417 1.00 0.00 N ATOM 788 CA PRO A 51 7.799 10.133 -2.619 1.00 0.00 C ATOM 789 C PRO A 51 8.594 9.760 -3.865 1.00 0.00 C ATOM 790 O PRO A 51 8.612 10.501 -4.848 1.00 0.00 O ATOM 791 CB PRO A 51 6.333 9.725 -2.777 1.00 0.00 C ATOM 792 CG PRO A 51 5.649 10.952 -3.275 1.00 0.00 C ATOM 793 CD PRO A 51 6.373 12.111 -2.648 1.00 0.00 C ATOM 0 HA PRO A 51 8.309 9.631 -1.797 1.00 0.00 H new ATOM 0 HB2 PRO A 51 6.226 8.899 -3.480 1.00 0.00 H new ATOM 0 HB3 PRO A 51 5.910 9.393 -1.829 1.00 0.00 H new ATOM 0 HG2 PRO A 51 5.690 11.008 -4.363 1.00 0.00 H new ATOM 0 HG3 PRO A 51 4.595 10.952 -2.996 1.00 0.00 H new ATOM 0 HD2 PRO A 51 6.387 12.980 -3.306 1.00 0.00 H new ATOM 0 HD3 PRO A 51 5.900 12.424 -1.717 1.00 0.00 H new ATOM 801 N LEU A 52 9.251 8.606 -3.818 1.00 0.00 N ATOM 802 CA LEU A 52 10.048 8.133 -4.944 1.00 0.00 C ATOM 803 C LEU A 52 9.152 7.630 -6.072 1.00 0.00 C ATOM 804 O LEU A 52 9.244 8.098 -7.207 1.00 0.00 O ATOM 805 CB LEU A 52 10.994 7.018 -4.493 1.00 0.00 C ATOM 806 CG LEU A 52 11.972 7.380 -3.375 1.00 0.00 C ATOM 807 CD1 LEU A 52 12.623 6.128 -2.810 1.00 0.00 C ATOM 808 CD2 LEU A 52 13.029 8.349 -3.885 1.00 0.00 C ATOM 0 H LEU A 52 9.247 7.981 -3.012 1.00 0.00 H new ATOM 0 HA LEU A 52 10.636 8.971 -5.318 1.00 0.00 H new ATOM 0 HB2 LEU A 52 10.393 6.170 -4.163 1.00 0.00 H new ATOM 0 HB3 LEU A 52 11.568 6.684 -5.357 1.00 0.00 H new ATOM 0 HG LEU A 52 11.416 7.868 -2.575 1.00 0.00 H new ATOM 0 HD11 LEU A 52 13.316 6.405 -2.015 1.00 0.00 H new ATOM 0 HD12 LEU A 52 11.854 5.468 -2.407 1.00 0.00 H new ATOM 0 HD13 LEU A 52 13.166 5.612 -3.601 1.00 0.00 H new ATOM 0 HD21 LEU A 52 13.717 8.596 -3.076 1.00 0.00 H new ATOM 0 HD22 LEU A 52 13.582 7.887 -4.703 1.00 0.00 H new ATOM 0 HD23 LEU A 52 12.547 9.259 -4.242 1.00 0.00 H new ATOM 820 N ASP A 53 8.286 6.675 -5.751 1.00 0.00 N ATOM 821 CA ASP A 53 7.371 6.111 -6.737 1.00 0.00 C ATOM 822 C ASP A 53 6.011 5.819 -6.111 1.00 0.00 C ATOM 823 O ASP A 53 5.869 5.807 -4.888 1.00 0.00 O ATOM 824 CB ASP A 53 7.957 4.830 -7.333 1.00 0.00 C ATOM 825 CG ASP A 53 6.908 3.982 -8.027 1.00 0.00 C ATOM 826 OD1 ASP A 53 6.179 3.251 -7.326 1.00 0.00 O ATOM 827 OD2 ASP A 53 6.819 4.050 -9.271 1.00 0.00 O ATOM 0 H ASP A 53 8.198 6.275 -4.817 1.00 0.00 H new ATOM 0 HA ASP A 53 7.235 6.844 -7.532 1.00 0.00 H new ATOM 0 HB2 ASP A 53 8.740 5.089 -8.045 1.00 0.00 H new ATOM 0 HB3 ASP A 53 8.427 4.246 -6.541 1.00 0.00 H new ATOM 832 N SER A 54 5.013 5.587 -6.958 1.00 0.00 N ATOM 833 CA SER A 54 3.662 5.301 -6.488 1.00 0.00 C ATOM 834 C SER A 54 3.137 4.007 -7.101 1.00 0.00 C ATOM 835 O SER A 54 3.593 3.580 -8.162 1.00 0.00 O ATOM 836 CB SER A 54 2.724 6.459 -6.831 1.00 0.00 C ATOM 837 OG SER A 54 2.146 6.285 -8.113 1.00 0.00 O ATOM 0 H SER A 54 5.114 5.591 -7.973 1.00 0.00 H new ATOM 0 HA SER A 54 3.698 5.181 -5.405 1.00 0.00 H new ATOM 0 HB2 SER A 54 1.937 6.528 -6.080 1.00 0.00 H new ATOM 0 HB3 SER A 54 3.276 7.399 -6.802 1.00 0.00 H new ATOM 0 HG SER A 54 1.549 7.038 -8.308 1.00 0.00 H new ATOM 843 N ILE A 55 2.174 3.387 -6.426 1.00 0.00 N ATOM 844 CA ILE A 55 1.585 2.143 -6.904 1.00 0.00 C ATOM 845 C ILE A 55 0.062 2.211 -6.880 1.00 0.00 C ATOM 846 O ILE A 55 -0.550 2.263 -5.813 1.00 0.00 O ATOM 847 CB ILE A 55 2.048 0.940 -6.060 1.00 0.00 C ATOM 848 CG1 ILE A 55 3.562 0.990 -5.849 1.00 0.00 C ATOM 849 CG2 ILE A 55 1.644 -0.364 -6.731 1.00 0.00 C ATOM 850 CD1 ILE A 55 3.975 1.751 -4.608 1.00 0.00 C ATOM 0 H ILE A 55 1.786 3.727 -5.546 1.00 0.00 H new ATOM 0 HA ILE A 55 1.924 2.008 -7.931 1.00 0.00 H new ATOM 0 HB ILE A 55 1.563 0.990 -5.085 1.00 0.00 H new ATOM 0 HG12 ILE A 55 3.946 -0.028 -5.785 1.00 0.00 H new ATOM 0 HG13 ILE A 55 4.027 1.452 -6.720 1.00 0.00 H new ATOM 0 HG21 ILE A 55 1.978 -1.205 -6.123 1.00 0.00 H new ATOM 0 HG22 ILE A 55 0.559 -0.399 -6.834 1.00 0.00 H new ATOM 0 HG23 ILE A 55 2.105 -0.424 -7.717 1.00 0.00 H new ATOM 0 HD11 ILE A 55 5.062 1.745 -4.522 1.00 0.00 H new ATOM 0 HD12 ILE A 55 3.622 2.780 -4.678 1.00 0.00 H new ATOM 0 HD13 ILE A 55 3.539 1.277 -3.729 1.00 0.00 H new ATOM 862 N ASP A 56 -0.544 2.207 -8.062 1.00 0.00 N ATOM 863 CA ASP A 56 -1.996 2.265 -8.177 1.00 0.00 C ATOM 864 C ASP A 56 -2.646 1.087 -7.459 1.00 0.00 C ATOM 865 O ASP A 56 -2.355 -0.073 -7.758 1.00 0.00 O ATOM 866 CB ASP A 56 -2.412 2.275 -9.649 1.00 0.00 C ATOM 867 CG ASP A 56 -3.854 2.703 -9.840 1.00 0.00 C ATOM 868 OD1 ASP A 56 -4.279 3.668 -9.172 1.00 0.00 O ATOM 869 OD2 ASP A 56 -4.557 2.073 -10.658 1.00 0.00 O ATOM 0 H ASP A 56 -0.052 2.164 -8.954 1.00 0.00 H new ATOM 0 HA ASP A 56 -2.337 3.187 -7.705 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -1.759 2.949 -10.203 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -2.273 1.279 -10.070 1.00 0.00 H new ATOM 874 N LEU A 57 -3.525 1.390 -6.511 1.00 0.00 N ATOM 875 CA LEU A 57 -4.216 0.355 -5.749 1.00 0.00 C ATOM 876 C LEU A 57 -5.598 0.079 -6.334 1.00 0.00 C ATOM 877 O LEU A 57 -6.322 -0.793 -5.855 1.00 0.00 O ATOM 878 CB LEU A 57 -4.344 0.773 -4.283 1.00 0.00 C ATOM 879 CG LEU A 57 -3.043 1.162 -3.580 1.00 0.00 C ATOM 880 CD1 LEU A 57 -3.336 1.819 -2.240 1.00 0.00 C ATOM 881 CD2 LEU A 57 -2.152 -0.058 -3.394 1.00 0.00 C ATOM 0 H LEU A 57 -3.777 2.344 -6.251 1.00 0.00 H new ATOM 0 HA LEU A 57 -3.627 -0.560 -5.809 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -5.031 1.617 -4.225 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -4.801 -0.048 -3.730 1.00 0.00 H new ATOM 0 HG LEU A 57 -2.515 1.881 -4.206 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -2.398 2.089 -1.754 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -3.934 2.716 -2.398 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -3.886 1.123 -1.606 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -1.231 0.237 -2.892 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -2.673 -0.800 -2.789 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -1.914 -0.486 -4.368 1.00 0.00 H new ATOM 893 N SER A 58 -5.955 0.828 -7.372 1.00 0.00 N ATOM 894 CA SER A 58 -7.251 0.666 -8.021 1.00 0.00 C ATOM 895 C SER A 58 -7.387 -0.731 -8.619 1.00 0.00 C ATOM 896 O SER A 58 -8.444 -1.356 -8.530 1.00 0.00 O ATOM 897 CB SER A 58 -7.434 1.721 -9.114 1.00 0.00 C ATOM 898 OG SER A 58 -7.902 2.943 -8.570 1.00 0.00 O ATOM 0 H SER A 58 -5.366 1.553 -7.782 1.00 0.00 H new ATOM 0 HA SER A 58 -8.027 0.797 -7.267 1.00 0.00 H new ATOM 0 HB2 SER A 58 -6.486 1.887 -9.626 1.00 0.00 H new ATOM 0 HB3 SER A 58 -8.140 1.357 -9.860 1.00 0.00 H new ATOM 0 HG SER A 58 -8.009 3.601 -9.288 1.00 0.00 H new ATOM 904 N SER A 59 -6.310 -1.215 -9.230 1.00 0.00 N ATOM 905 CA SER A 59 -6.309 -2.536 -9.847 1.00 0.00 C ATOM 906 C SER A 59 -5.239 -3.426 -9.223 1.00 0.00 C ATOM 907 O SER A 59 -4.711 -4.328 -9.872 1.00 0.00 O ATOM 908 CB SER A 59 -6.075 -2.418 -11.354 1.00 0.00 C ATOM 909 OG SER A 59 -7.295 -2.205 -12.044 1.00 0.00 O ATOM 0 H SER A 59 -5.427 -0.712 -9.311 1.00 0.00 H new ATOM 0 HA SER A 59 -7.283 -2.992 -9.672 1.00 0.00 H new ATOM 0 HB2 SER A 59 -5.391 -1.594 -11.556 1.00 0.00 H new ATOM 0 HB3 SER A 59 -5.598 -3.326 -11.723 1.00 0.00 H new ATOM 0 HG SER A 59 -7.119 -2.131 -13.005 1.00 0.00 H new ATOM 915 N ALA A 60 -4.925 -3.165 -7.958 1.00 0.00 N ATOM 916 CA ALA A 60 -3.919 -3.942 -7.244 1.00 0.00 C ATOM 917 C ALA A 60 -4.570 -4.923 -6.275 1.00 0.00 C ATOM 918 O ALA A 60 -5.503 -4.570 -5.552 1.00 0.00 O ATOM 919 CB ALA A 60 -2.965 -3.018 -6.503 1.00 0.00 C ATOM 0 H ALA A 60 -5.353 -2.421 -7.407 1.00 0.00 H new ATOM 0 HA ALA A 60 -3.352 -4.517 -7.976 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -2.220 -3.612 -5.975 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -2.467 -2.362 -7.216 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -3.524 -2.417 -5.786 1.00 0.00 H new ATOM 925 N VAL A 61 -4.073 -6.155 -6.264 1.00 0.00 N ATOM 926 CA VAL A 61 -4.606 -7.187 -5.382 1.00 0.00 C ATOM 927 C VAL A 61 -3.575 -7.607 -4.341 1.00 0.00 C ATOM 928 O VAL A 61 -2.521 -8.146 -4.678 1.00 0.00 O ATOM 929 CB VAL A 61 -5.052 -8.429 -6.177 1.00 0.00 C ATOM 930 CG1 VAL A 61 -4.092 -8.702 -7.324 1.00 0.00 C ATOM 931 CG2 VAL A 61 -5.158 -9.638 -5.260 1.00 0.00 C ATOM 0 H VAL A 61 -3.302 -6.463 -6.856 1.00 0.00 H new ATOM 0 HA VAL A 61 -5.472 -6.757 -4.878 1.00 0.00 H new ATOM 0 HB VAL A 61 -6.038 -8.234 -6.599 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -4.423 -9.583 -7.874 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -4.072 -7.842 -7.994 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -3.092 -8.877 -6.928 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -5.474 -10.506 -5.838 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -4.187 -9.837 -4.807 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -5.889 -9.438 -4.477 1.00 0.00 H new ATOM 941 N PHE A 62 -3.887 -7.357 -3.073 1.00 0.00 N ATOM 942 CA PHE A 62 -2.987 -7.708 -1.981 1.00 0.00 C ATOM 943 C PHE A 62 -3.197 -9.156 -1.548 1.00 0.00 C ATOM 944 O PHE A 62 -4.279 -9.529 -1.095 1.00 0.00 O ATOM 945 CB PHE A 62 -3.204 -6.771 -0.791 1.00 0.00 C ATOM 946 CG PHE A 62 -3.695 -5.408 -1.184 1.00 0.00 C ATOM 947 CD1 PHE A 62 -2.856 -4.513 -1.829 1.00 0.00 C ATOM 948 CD2 PHE A 62 -4.997 -5.020 -0.908 1.00 0.00 C ATOM 949 CE1 PHE A 62 -3.306 -3.258 -2.193 1.00 0.00 C ATOM 950 CE2 PHE A 62 -5.452 -3.766 -1.270 1.00 0.00 C ATOM 951 CZ PHE A 62 -4.605 -2.883 -1.911 1.00 0.00 C ATOM 0 H PHE A 62 -4.756 -6.913 -2.777 1.00 0.00 H new ATOM 0 HA PHE A 62 -1.963 -7.599 -2.338 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -3.922 -7.224 -0.108 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -2.267 -6.667 -0.245 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -1.838 -4.800 -2.050 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -5.663 -5.705 -0.405 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -2.643 -2.571 -2.697 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -6.469 -3.477 -1.052 1.00 0.00 H new ATOM 0 HZ PHE A 62 -4.958 -1.901 -2.191 1.00 0.00 H new ATOM 961 N ASP A 63 -2.155 -9.967 -1.690 1.00 0.00 N ATOM 962 CA ASP A 63 -2.224 -11.374 -1.314 1.00 0.00 C ATOM 963 C ASP A 63 -1.238 -11.685 -0.192 1.00 0.00 C ATOM 964 O ASP A 63 -0.300 -10.925 0.053 1.00 0.00 O ATOM 965 CB ASP A 63 -1.935 -12.263 -2.524 1.00 0.00 C ATOM 966 CG ASP A 63 -2.194 -13.730 -2.241 1.00 0.00 C ATOM 967 OD1 ASP A 63 -3.337 -14.069 -1.871 1.00 0.00 O ATOM 968 OD2 ASP A 63 -1.253 -14.538 -2.388 1.00 0.00 O ATOM 0 H ASP A 63 -1.252 -9.674 -2.063 1.00 0.00 H new ATOM 0 HA ASP A 63 -3.233 -11.579 -0.955 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -2.554 -11.943 -3.362 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -0.896 -12.132 -2.827 1.00 0.00 H new ATOM 973 N CYS A 64 -1.457 -12.806 0.487 1.00 0.00 N ATOM 974 CA CYS A 64 -0.589 -13.217 1.585 1.00 0.00 C ATOM 975 C CYS A 64 0.227 -14.448 1.202 1.00 0.00 C ATOM 976 O CYS A 64 -0.327 -15.480 0.823 1.00 0.00 O ATOM 977 CB CYS A 64 -1.418 -13.508 2.837 1.00 0.00 C ATOM 978 SG CYS A 64 -2.516 -14.936 2.679 1.00 0.00 S ATOM 0 H CYS A 64 -2.228 -13.446 0.297 1.00 0.00 H new ATOM 0 HA CYS A 64 0.100 -12.399 1.797 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -0.743 -13.673 3.677 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -2.015 -12.628 3.077 1.00 0.00 H new ATOM 0 HG CYS A 64 -1.985 -15.805 1.871 1.00 0.00 H new ATOM 984 N LYS A 65 1.546 -14.331 1.302 1.00 0.00 N ATOM 985 CA LYS A 65 2.440 -15.433 0.966 1.00 0.00 C ATOM 986 C LYS A 65 2.186 -16.634 1.871 1.00 0.00 C ATOM 987 O LYS A 65 1.420 -16.550 2.831 1.00 0.00 O ATOM 988 CB LYS A 65 3.899 -14.989 1.087 1.00 0.00 C ATOM 989 CG LYS A 65 4.415 -14.254 -0.138 1.00 0.00 C ATOM 990 CD LYS A 65 5.860 -14.616 -0.438 1.00 0.00 C ATOM 991 CE LYS A 65 6.827 -13.657 0.239 1.00 0.00 C ATOM 992 NZ LYS A 65 8.226 -13.854 -0.232 1.00 0.00 N ATOM 0 H LYS A 65 2.020 -13.483 1.613 1.00 0.00 H new ATOM 0 HA LYS A 65 2.241 -15.728 -0.064 1.00 0.00 H new ATOM 0 HB2 LYS A 65 4.002 -14.342 1.958 1.00 0.00 H new ATOM 0 HB3 LYS A 65 4.523 -15.865 1.264 1.00 0.00 H new ATOM 0 HG2 LYS A 65 3.792 -14.497 -0.999 1.00 0.00 H new ATOM 0 HG3 LYS A 65 4.334 -13.179 0.021 1.00 0.00 H new ATOM 0 HD2 LYS A 65 6.059 -15.633 -0.101 1.00 0.00 H new ATOM 0 HD3 LYS A 65 6.024 -14.600 -1.515 1.00 0.00 H new ATOM 0 HE2 LYS A 65 6.518 -12.630 0.041 1.00 0.00 H new ATOM 0 HE3 LYS A 65 6.784 -13.800 1.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 8.854 -13.182 0.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 8.530 -14.826 -0.020 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 8.273 -13.692 -1.258 1.00 0.00 H new ATOM 1006 N ALA A 66 2.836 -17.751 1.561 1.00 0.00 N ATOM 1007 CA ALA A 66 2.683 -18.968 2.349 1.00 0.00 C ATOM 1008 C ALA A 66 3.265 -18.793 3.747 1.00 0.00 C ATOM 1009 O ALA A 66 2.703 -19.279 4.729 1.00 0.00 O ATOM 1010 CB ALA A 66 3.347 -20.141 1.642 1.00 0.00 C ATOM 0 H ALA A 66 3.474 -17.838 0.770 1.00 0.00 H new ATOM 0 HA ALA A 66 1.618 -19.175 2.450 1.00 0.00 H new ATOM 0 HB1 ALA A 66 3.225 -21.043 2.241 1.00 0.00 H new ATOM 0 HB2 ALA A 66 2.883 -20.288 0.667 1.00 0.00 H new ATOM 0 HB3 ALA A 66 4.409 -19.933 1.511 1.00 0.00 H new ATOM 1016 N ASP A 67 4.394 -18.098 3.831 1.00 0.00 N ATOM 1017 CA ASP A 67 5.052 -17.859 5.110 1.00 0.00 C ATOM 1018 C ASP A 67 4.466 -16.632 5.801 1.00 0.00 C ATOM 1019 O ASP A 67 5.175 -15.897 6.489 1.00 0.00 O ATOM 1020 CB ASP A 67 6.557 -17.676 4.907 1.00 0.00 C ATOM 1021 CG ASP A 67 7.243 -18.958 4.476 1.00 0.00 C ATOM 1022 OD1 ASP A 67 7.195 -19.942 5.243 1.00 0.00 O ATOM 1023 OD2 ASP A 67 7.829 -18.975 3.374 1.00 0.00 O ATOM 0 H ASP A 67 4.873 -17.690 3.028 1.00 0.00 H new ATOM 0 HA ASP A 67 4.882 -18.728 5.746 1.00 0.00 H new ATOM 0 HB2 ASP A 67 6.728 -16.905 4.156 1.00 0.00 H new ATOM 0 HB3 ASP A 67 7.005 -17.322 5.835 1.00 0.00 H new ATOM 1028 N ALA A 68 3.169 -16.415 5.612 1.00 0.00 N ATOM 1029 CA ALA A 68 2.488 -15.278 6.218 1.00 0.00 C ATOM 1030 C ALA A 68 2.583 -15.328 7.739 1.00 0.00 C ATOM 1031 O ALA A 68 2.440 -14.308 8.412 1.00 0.00 O ATOM 1032 CB ALA A 68 1.031 -15.240 5.779 1.00 0.00 C ATOM 0 H ALA A 68 2.568 -17.012 5.044 1.00 0.00 H new ATOM 0 HA ALA A 68 2.982 -14.367 5.879 1.00 0.00 H new ATOM 0 HB1 ALA A 68 0.534 -14.386 6.239 1.00 0.00 H new ATOM 0 HB2 ALA A 68 0.980 -15.148 4.694 1.00 0.00 H new ATOM 0 HB3 ALA A 68 0.534 -16.159 6.089 1.00 0.00 H new ATOM 1038 N GLU A 69 2.825 -16.521 8.274 1.00 0.00 N ATOM 1039 CA GLU A 69 2.938 -16.702 9.716 1.00 0.00 C ATOM 1040 C GLU A 69 3.816 -15.618 10.334 1.00 0.00 C ATOM 1041 O GLU A 69 3.721 -15.334 11.527 1.00 0.00 O ATOM 1042 CB GLU A 69 3.513 -18.083 10.036 1.00 0.00 C ATOM 1043 CG GLU A 69 4.943 -18.272 9.560 1.00 0.00 C ATOM 1044 CD GLU A 69 5.344 -19.732 9.480 1.00 0.00 C ATOM 1045 OE1 GLU A 69 4.456 -20.578 9.245 1.00 0.00 O ATOM 1046 OE2 GLU A 69 6.544 -20.029 9.652 1.00 0.00 O ATOM 0 H GLU A 69 2.946 -17.376 7.731 1.00 0.00 H new ATOM 0 HA GLU A 69 1.939 -16.624 10.145 1.00 0.00 H new ATOM 0 HB2 GLU A 69 3.474 -18.243 11.113 1.00 0.00 H new ATOM 0 HB3 GLU A 69 2.883 -18.845 9.577 1.00 0.00 H new ATOM 0 HG2 GLU A 69 5.059 -17.813 8.578 1.00 0.00 H new ATOM 0 HG3 GLU A 69 5.619 -17.750 10.237 1.00 0.00 H new ATOM 1053 N GLU A 70 4.671 -15.017 9.512 1.00 0.00 N ATOM 1054 CA GLU A 70 5.568 -13.966 9.978 1.00 0.00 C ATOM 1055 C GLU A 70 4.975 -12.586 9.707 1.00 0.00 C ATOM 1056 O GLU A 70 5.219 -11.637 10.451 1.00 0.00 O ATOM 1057 CB GLU A 70 6.932 -14.089 9.297 1.00 0.00 C ATOM 1058 CG GLU A 70 7.757 -12.814 9.351 1.00 0.00 C ATOM 1059 CD GLU A 70 9.241 -13.072 9.174 1.00 0.00 C ATOM 1060 OE1 GLU A 70 9.710 -14.151 9.590 1.00 0.00 O ATOM 1061 OE2 GLU A 70 9.933 -12.192 8.619 1.00 0.00 O ATOM 0 H GLU A 70 4.761 -15.240 8.521 1.00 0.00 H new ATOM 0 HA GLU A 70 5.696 -14.084 11.054 1.00 0.00 H new ATOM 0 HB2 GLU A 70 7.493 -14.895 9.770 1.00 0.00 H new ATOM 0 HB3 GLU A 70 6.784 -14.372 8.255 1.00 0.00 H new ATOM 0 HG2 GLU A 70 7.415 -12.131 8.573 1.00 0.00 H new ATOM 0 HG3 GLU A 70 7.590 -12.318 10.307 1.00 0.00 H new ATOM 1068 N GLY A 71 4.194 -12.483 8.636 1.00 0.00 N ATOM 1069 CA GLY A 71 3.579 -11.217 8.285 1.00 0.00 C ATOM 1070 C GLY A 71 4.081 -10.675 6.961 1.00 0.00 C ATOM 1071 O GLY A 71 4.578 -9.551 6.891 1.00 0.00 O ATOM 0 H GLY A 71 3.976 -13.254 8.005 1.00 0.00 H new ATOM 0 HA2 GLY A 71 2.497 -11.343 8.236 1.00 0.00 H new ATOM 0 HA3 GLY A 71 3.779 -10.489 9.071 1.00 0.00 H new ATOM 1075 N ILE A 72 3.952 -11.477 5.909 1.00 0.00 N ATOM 1076 CA ILE A 72 4.397 -11.071 4.582 1.00 0.00 C ATOM 1077 C ILE A 72 3.245 -11.101 3.583 1.00 0.00 C ATOM 1078 O ILE A 72 2.365 -11.959 3.658 1.00 0.00 O ATOM 1079 CB ILE A 72 5.531 -11.977 4.067 1.00 0.00 C ATOM 1080 CG1 ILE A 72 6.606 -12.147 5.143 1.00 0.00 C ATOM 1081 CG2 ILE A 72 6.133 -11.401 2.795 1.00 0.00 C ATOM 1082 CD1 ILE A 72 6.283 -13.224 6.155 1.00 0.00 C ATOM 0 H ILE A 72 3.543 -12.411 5.950 1.00 0.00 H new ATOM 0 HA ILE A 72 4.770 -10.051 4.673 1.00 0.00 H new ATOM 0 HB ILE A 72 5.116 -12.958 3.837 1.00 0.00 H new ATOM 0 HG12 ILE A 72 7.555 -12.384 4.663 1.00 0.00 H new ATOM 0 HG13 ILE A 72 6.740 -11.199 5.664 1.00 0.00 H new ATOM 0 HG21 ILE A 72 6.933 -12.053 2.444 1.00 0.00 H new ATOM 0 HG22 ILE A 72 5.362 -11.327 2.028 1.00 0.00 H new ATOM 0 HG23 ILE A 72 6.536 -10.409 3.000 1.00 0.00 H new ATOM 0 HD11 ILE A 72 7.088 -13.289 6.887 1.00 0.00 H new ATOM 0 HD12 ILE A 72 5.350 -12.978 6.663 1.00 0.00 H new ATOM 0 HD13 ILE A 72 6.178 -14.182 5.646 1.00 0.00 H new ATOM 1094 N PHE A 73 3.257 -10.158 2.646 1.00 0.00 N ATOM 1095 CA PHE A 73 2.214 -10.076 1.631 1.00 0.00 C ATOM 1096 C PHE A 73 2.805 -9.715 0.271 1.00 0.00 C ATOM 1097 O PHE A 73 4.018 -9.563 0.132 1.00 0.00 O ATOM 1098 CB PHE A 73 1.161 -9.041 2.033 1.00 0.00 C ATOM 1099 CG PHE A 73 1.744 -7.714 2.425 1.00 0.00 C ATOM 1100 CD1 PHE A 73 2.373 -7.553 3.650 1.00 0.00 C ATOM 1101 CD2 PHE A 73 1.664 -6.627 1.570 1.00 0.00 C ATOM 1102 CE1 PHE A 73 2.910 -6.333 4.013 1.00 0.00 C ATOM 1103 CE2 PHE A 73 2.200 -5.404 1.928 1.00 0.00 C ATOM 1104 CZ PHE A 73 2.825 -5.257 3.150 1.00 0.00 C ATOM 0 H PHE A 73 3.978 -9.440 2.569 1.00 0.00 H new ATOM 0 HA PHE A 73 1.740 -11.055 1.553 1.00 0.00 H new ATOM 0 HB2 PHE A 73 0.471 -8.894 1.202 1.00 0.00 H new ATOM 0 HB3 PHE A 73 0.577 -9.433 2.866 1.00 0.00 H new ATOM 0 HD1 PHE A 73 2.444 -8.391 4.328 1.00 0.00 H new ATOM 0 HD2 PHE A 73 1.177 -6.736 0.612 1.00 0.00 H new ATOM 0 HE1 PHE A 73 3.396 -6.220 4.971 1.00 0.00 H new ATOM 0 HE2 PHE A 73 2.130 -4.564 1.252 1.00 0.00 H new ATOM 0 HZ PHE A 73 3.247 -4.303 3.431 1.00 0.00 H new ATOM 1114 N GLU A 74 1.938 -9.579 -0.727 1.00 0.00 N ATOM 1115 CA GLU A 74 2.374 -9.236 -2.076 1.00 0.00 C ATOM 1116 C GLU A 74 1.284 -8.473 -2.823 1.00 0.00 C ATOM 1117 O GLU A 74 0.124 -8.885 -2.839 1.00 0.00 O ATOM 1118 CB GLU A 74 2.750 -10.501 -2.851 1.00 0.00 C ATOM 1119 CG GLU A 74 4.175 -10.965 -2.604 1.00 0.00 C ATOM 1120 CD GLU A 74 4.429 -12.369 -3.119 1.00 0.00 C ATOM 1121 OE1 GLU A 74 3.476 -13.176 -3.134 1.00 0.00 O ATOM 1122 OE2 GLU A 74 5.580 -12.660 -3.507 1.00 0.00 O ATOM 0 H GLU A 74 0.930 -9.701 -0.627 1.00 0.00 H new ATOM 0 HA GLU A 74 3.251 -8.594 -1.995 1.00 0.00 H new ATOM 0 HB2 GLU A 74 2.063 -11.302 -2.577 1.00 0.00 H new ATOM 0 HB3 GLU A 74 2.616 -10.317 -3.917 1.00 0.00 H new ATOM 0 HG2 GLU A 74 4.867 -10.274 -3.086 1.00 0.00 H new ATOM 0 HG3 GLU A 74 4.384 -10.931 -1.535 1.00 0.00 H new ATOM 1129 N ILE A 75 1.667 -7.360 -3.440 1.00 0.00 N ATOM 1130 CA ILE A 75 0.723 -6.540 -4.189 1.00 0.00 C ATOM 1131 C ILE A 75 0.836 -6.802 -5.687 1.00 0.00 C ATOM 1132 O ILE A 75 1.766 -6.331 -6.343 1.00 0.00 O ATOM 1133 CB ILE A 75 0.946 -5.040 -3.923 1.00 0.00 C ATOM 1134 CG1 ILE A 75 0.982 -4.766 -2.418 1.00 0.00 C ATOM 1135 CG2 ILE A 75 -0.144 -4.215 -4.591 1.00 0.00 C ATOM 1136 CD1 ILE A 75 0.994 -3.293 -2.072 1.00 0.00 C ATOM 0 H ILE A 75 2.624 -7.006 -3.436 1.00 0.00 H new ATOM 0 HA ILE A 75 -0.275 -6.816 -3.848 1.00 0.00 H new ATOM 0 HB ILE A 75 1.906 -4.750 -4.349 1.00 0.00 H new ATOM 0 HG12 ILE A 75 0.115 -5.234 -1.951 1.00 0.00 H new ATOM 0 HG13 ILE A 75 1.867 -5.238 -1.992 1.00 0.00 H new ATOM 0 HG21 ILE A 75 0.028 -3.157 -4.394 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -0.126 -4.391 -5.667 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -1.116 -4.505 -4.192 1.00 0.00 H new ATOM 0 HD11 ILE A 75 1.020 -3.174 -0.989 1.00 0.00 H new ATOM 0 HD12 ILE A 75 1.875 -2.824 -2.510 1.00 0.00 H new ATOM 0 HD13 ILE A 75 0.096 -2.819 -2.468 1.00 0.00 H new ATOM 1148 N LYS A 76 -0.118 -7.555 -6.224 1.00 0.00 N ATOM 1149 CA LYS A 76 -0.129 -7.877 -7.646 1.00 0.00 C ATOM 1150 C LYS A 76 -0.843 -6.792 -8.445 1.00 0.00 C ATOM 1151 O LYS A 76 -2.027 -6.528 -8.233 1.00 0.00 O ATOM 1152 CB LYS A 76 -0.810 -9.228 -7.878 1.00 0.00 C ATOM 1153 CG LYS A 76 0.153 -10.402 -7.885 1.00 0.00 C ATOM 1154 CD LYS A 76 -0.502 -11.665 -7.351 1.00 0.00 C ATOM 1155 CE LYS A 76 -0.293 -11.809 -5.851 1.00 0.00 C ATOM 1156 NZ LYS A 76 0.948 -12.568 -5.534 1.00 0.00 N ATOM 0 H LYS A 76 -0.894 -7.954 -5.696 1.00 0.00 H new ATOM 0 HA LYS A 76 0.904 -7.934 -7.988 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -1.557 -9.387 -7.101 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -1.341 -9.199 -8.829 1.00 0.00 H new ATOM 0 HG2 LYS A 76 0.507 -10.577 -8.901 1.00 0.00 H new ATOM 0 HG3 LYS A 76 1.027 -10.160 -7.280 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -1.569 -11.643 -7.570 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -0.089 -12.535 -7.862 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -0.240 -10.820 -5.395 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -1.152 -12.317 -5.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 1.054 -12.644 -4.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 0.887 -13.520 -5.947 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 1.770 -12.070 -5.931 1.00 0.00 H new ATOM 1170 N THR A 77 -0.117 -6.166 -9.365 1.00 0.00 N ATOM 1171 CA THR A 77 -0.681 -5.109 -10.196 1.00 0.00 C ATOM 1172 C THR A 77 -0.388 -5.355 -11.672 1.00 0.00 C ATOM 1173 O THR A 77 0.577 -6.028 -12.034 1.00 0.00 O ATOM 1174 CB THR A 77 -0.130 -3.727 -9.798 1.00 0.00 C ATOM 1175 OG1 THR A 77 1.294 -3.789 -9.660 1.00 0.00 O ATOM 1176 CG2 THR A 77 -0.751 -3.252 -8.493 1.00 0.00 C ATOM 0 H THR A 77 0.864 -6.373 -9.554 1.00 0.00 H new ATOM 0 HA THR A 77 -1.759 -5.122 -10.035 1.00 0.00 H new ATOM 0 HB THR A 77 -0.388 -3.017 -10.584 1.00 0.00 H new ATOM 0 HG1 THR A 77 1.626 -4.620 -10.061 1.00 0.00 H new ATOM 0 HG21 THR A 77 -0.346 -2.274 -8.232 1.00 0.00 H new ATOM 0 HG22 THR A 77 -1.832 -3.178 -8.610 1.00 0.00 H new ATOM 0 HG23 THR A 77 -0.520 -3.963 -7.700 1.00 0.00 H new ATOM 1184 N PRO A 78 -1.239 -4.797 -12.545 1.00 0.00 N ATOM 1185 CA PRO A 78 -1.091 -4.941 -13.997 1.00 0.00 C ATOM 1186 C PRO A 78 0.116 -4.179 -14.535 1.00 0.00 C ATOM 1187 O PRO A 78 0.352 -4.145 -15.742 1.00 0.00 O ATOM 1188 CB PRO A 78 -2.389 -4.344 -14.546 1.00 0.00 C ATOM 1189 CG PRO A 78 -2.841 -3.388 -13.497 1.00 0.00 C ATOM 1190 CD PRO A 78 -2.411 -3.981 -12.184 1.00 0.00 C ATOM 0 HA PRO A 78 -0.925 -5.978 -14.290 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -2.221 -3.838 -15.497 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -3.136 -5.118 -14.725 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -2.394 -2.405 -13.646 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -3.922 -3.255 -13.530 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -2.155 -3.208 -11.459 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -3.200 -4.587 -11.739 1.00 0.00 H new ATOM 1198 N SER A 79 0.876 -3.568 -13.631 1.00 0.00 N ATOM 1199 CA SER A 79 2.056 -2.804 -14.016 1.00 0.00 C ATOM 1200 C SER A 79 3.329 -3.484 -13.520 1.00 0.00 C ATOM 1201 O SER A 79 4.283 -3.667 -14.277 1.00 0.00 O ATOM 1202 CB SER A 79 1.973 -1.382 -13.457 1.00 0.00 C ATOM 1203 OG SER A 79 2.986 -0.558 -14.007 1.00 0.00 O ATOM 0 H SER A 79 0.695 -3.588 -12.627 1.00 0.00 H new ATOM 0 HA SER A 79 2.090 -2.758 -15.104 1.00 0.00 H new ATOM 0 HB2 SER A 79 0.994 -0.957 -13.679 1.00 0.00 H new ATOM 0 HB3 SER A 79 2.071 -1.408 -12.372 1.00 0.00 H new ATOM 0 HG SER A 79 2.910 0.346 -13.635 1.00 0.00 H new ATOM 1209 N ARG A 80 3.336 -3.856 -12.245 1.00 0.00 N ATOM 1210 CA ARG A 80 4.491 -4.514 -11.647 1.00 0.00 C ATOM 1211 C ARG A 80 4.129 -5.126 -10.296 1.00 0.00 C ATOM 1212 O ARG A 80 3.636 -4.437 -9.403 1.00 0.00 O ATOM 1213 CB ARG A 80 5.640 -3.520 -11.477 1.00 0.00 C ATOM 1214 CG ARG A 80 5.366 -2.443 -10.440 1.00 0.00 C ATOM 1215 CD ARG A 80 6.498 -1.430 -10.375 1.00 0.00 C ATOM 1216 NE ARG A 80 6.296 -0.324 -11.308 1.00 0.00 N ATOM 1217 CZ ARG A 80 5.284 0.533 -11.223 1.00 0.00 C ATOM 1218 NH1 ARG A 80 4.388 0.412 -10.254 1.00 0.00 N ATOM 1219 NH2 ARG A 80 5.169 1.514 -12.110 1.00 0.00 N ATOM 0 H ARG A 80 2.554 -3.713 -11.606 1.00 0.00 H new ATOM 0 HA ARG A 80 4.808 -5.314 -12.316 1.00 0.00 H new ATOM 0 HB2 ARG A 80 6.541 -4.064 -11.194 1.00 0.00 H new ATOM 0 HB3 ARG A 80 5.843 -3.045 -12.437 1.00 0.00 H new ATOM 0 HG2 ARG A 80 4.434 -1.933 -10.682 1.00 0.00 H new ATOM 0 HG3 ARG A 80 5.233 -2.904 -9.461 1.00 0.00 H new ATOM 0 HD2 ARG A 80 6.577 -1.039 -9.361 1.00 0.00 H new ATOM 0 HD3 ARG A 80 7.442 -1.926 -10.600 1.00 0.00 H new ATOM 0 HE ARG A 80 6.968 -0.203 -12.066 1.00 0.00 H new ATOM 0 HH11 ARG A 80 4.474 -0.340 -9.571 1.00 0.00 H new ATOM 0 HH12 ARG A 80 3.612 1.071 -10.191 1.00 0.00 H new ATOM 0 HH21 ARG A 80 5.857 1.610 -12.857 1.00 0.00 H new ATOM 0 HH22 ARG A 80 4.392 2.172 -12.045 1.00 0.00 H new ATOM 1233 N VAL A 81 4.378 -6.424 -10.155 1.00 0.00 N ATOM 1234 CA VAL A 81 4.079 -7.129 -8.914 1.00 0.00 C ATOM 1235 C VAL A 81 5.086 -6.775 -7.825 1.00 0.00 C ATOM 1236 O VAL A 81 6.273 -7.079 -7.941 1.00 0.00 O ATOM 1237 CB VAL A 81 4.079 -8.655 -9.121 1.00 0.00 C ATOM 1238 CG1 VAL A 81 3.876 -9.374 -7.797 1.00 0.00 C ATOM 1239 CG2 VAL A 81 3.008 -9.056 -10.125 1.00 0.00 C ATOM 0 H VAL A 81 4.786 -7.009 -10.885 1.00 0.00 H new ATOM 0 HA VAL A 81 3.084 -6.812 -8.602 1.00 0.00 H new ATOM 0 HB VAL A 81 5.049 -8.950 -9.521 1.00 0.00 H new ATOM 0 HG11 VAL A 81 3.879 -10.451 -7.964 1.00 0.00 H new ATOM 0 HG12 VAL A 81 4.682 -9.111 -7.113 1.00 0.00 H new ATOM 0 HG13 VAL A 81 2.921 -9.076 -7.364 1.00 0.00 H new ATOM 0 HG21 VAL A 81 3.022 -10.138 -10.259 1.00 0.00 H new ATOM 0 HG22 VAL A 81 2.030 -8.749 -9.756 1.00 0.00 H new ATOM 0 HG23 VAL A 81 3.204 -8.569 -11.080 1.00 0.00 H new ATOM 1249 N ILE A 82 4.603 -6.131 -6.768 1.00 0.00 N ATOM 1250 CA ILE A 82 5.461 -5.737 -5.657 1.00 0.00 C ATOM 1251 C ILE A 82 5.313 -6.696 -4.481 1.00 0.00 C ATOM 1252 O ILE A 82 4.235 -7.244 -4.243 1.00 0.00 O ATOM 1253 CB ILE A 82 5.144 -4.307 -5.181 1.00 0.00 C ATOM 1254 CG1 ILE A 82 5.244 -3.323 -6.349 1.00 0.00 C ATOM 1255 CG2 ILE A 82 6.087 -3.902 -4.058 1.00 0.00 C ATOM 1256 CD1 ILE A 82 6.634 -3.224 -6.938 1.00 0.00 C ATOM 0 H ILE A 82 3.623 -5.871 -6.657 1.00 0.00 H new ATOM 0 HA ILE A 82 6.487 -5.771 -6.023 1.00 0.00 H new ATOM 0 HB ILE A 82 4.124 -4.285 -4.798 1.00 0.00 H new ATOM 0 HG12 ILE A 82 4.548 -3.627 -7.131 1.00 0.00 H new ATOM 0 HG13 ILE A 82 4.931 -2.336 -6.010 1.00 0.00 H new ATOM 0 HG21 ILE A 82 5.851 -2.889 -3.732 1.00 0.00 H new ATOM 0 HG22 ILE A 82 5.971 -4.589 -3.220 1.00 0.00 H new ATOM 0 HG23 ILE A 82 7.116 -3.937 -4.416 1.00 0.00 H new ATOM 0 HD11 ILE A 82 6.630 -2.509 -7.761 1.00 0.00 H new ATOM 0 HD12 ILE A 82 7.332 -2.890 -6.170 1.00 0.00 H new ATOM 0 HD13 ILE A 82 6.943 -4.202 -7.308 1.00 0.00 H new ATOM 1268 N THR A 83 6.402 -6.895 -3.746 1.00 0.00 N ATOM 1269 CA THR A 83 6.394 -7.788 -2.594 1.00 0.00 C ATOM 1270 C THR A 83 6.856 -7.064 -1.334 1.00 0.00 C ATOM 1271 O THR A 83 8.026 -6.703 -1.207 1.00 0.00 O ATOM 1272 CB THR A 83 7.297 -9.014 -2.827 1.00 0.00 C ATOM 1273 OG1 THR A 83 6.962 -9.640 -4.070 1.00 0.00 O ATOM 1274 CG2 THR A 83 7.151 -10.017 -1.693 1.00 0.00 C ATOM 0 H THR A 83 7.301 -6.450 -3.928 1.00 0.00 H new ATOM 0 HA THR A 83 5.365 -8.123 -2.461 1.00 0.00 H new ATOM 0 HB THR A 83 8.332 -8.674 -2.859 1.00 0.00 H new ATOM 0 HG1 THR A 83 7.542 -10.418 -4.211 1.00 0.00 H new ATOM 0 HG21 THR A 83 7.798 -10.874 -1.880 1.00 0.00 H new ATOM 0 HG22 THR A 83 7.435 -9.546 -0.752 1.00 0.00 H new ATOM 0 HG23 THR A 83 6.115 -10.351 -1.634 1.00 0.00 H new ATOM 1282 N LEU A 84 5.929 -6.855 -0.405 1.00 0.00 N ATOM 1283 CA LEU A 84 6.242 -6.173 0.847 1.00 0.00 C ATOM 1284 C LEU A 84 5.779 -6.997 2.045 1.00 0.00 C ATOM 1285 O LEU A 84 4.826 -7.771 1.949 1.00 0.00 O ATOM 1286 CB LEU A 84 5.583 -4.793 0.877 1.00 0.00 C ATOM 1287 CG LEU A 84 5.659 -3.985 -0.419 1.00 0.00 C ATOM 1288 CD1 LEU A 84 4.875 -2.688 -0.286 1.00 0.00 C ATOM 1289 CD2 LEU A 84 7.108 -3.699 -0.785 1.00 0.00 C ATOM 0 H LEU A 84 4.956 -7.147 -0.495 1.00 0.00 H new ATOM 0 HA LEU A 84 7.324 -6.053 0.907 1.00 0.00 H new ATOM 0 HB2 LEU A 84 4.533 -4.919 1.142 1.00 0.00 H new ATOM 0 HB3 LEU A 84 6.045 -4.209 1.673 1.00 0.00 H new ATOM 0 HG LEU A 84 5.213 -4.575 -1.219 1.00 0.00 H new ATOM 0 HD11 LEU A 84 4.940 -2.126 -1.218 1.00 0.00 H new ATOM 0 HD12 LEU A 84 3.831 -2.915 -0.071 1.00 0.00 H new ATOM 0 HD13 LEU A 84 5.292 -2.093 0.527 1.00 0.00 H new ATOM 0 HD21 LEU A 84 7.143 -3.123 -1.710 1.00 0.00 H new ATOM 0 HD22 LEU A 84 7.580 -3.129 0.015 1.00 0.00 H new ATOM 0 HD23 LEU A 84 7.641 -4.640 -0.923 1.00 0.00 H new ATOM 1301 N LYS A 85 6.457 -6.822 3.173 1.00 0.00 N ATOM 1302 CA LYS A 85 6.115 -7.546 4.392 1.00 0.00 C ATOM 1303 C LYS A 85 5.850 -6.579 5.542 1.00 0.00 C ATOM 1304 O LYS A 85 6.446 -5.505 5.612 1.00 0.00 O ATOM 1305 CB LYS A 85 7.241 -8.509 4.772 1.00 0.00 C ATOM 1306 CG LYS A 85 8.452 -7.821 5.378 1.00 0.00 C ATOM 1307 CD LYS A 85 9.734 -8.577 5.073 1.00 0.00 C ATOM 1308 CE LYS A 85 10.035 -9.619 6.141 1.00 0.00 C ATOM 1309 NZ LYS A 85 10.977 -10.662 5.649 1.00 0.00 N ATOM 0 H LYS A 85 7.247 -6.185 3.269 1.00 0.00 H new ATOM 0 HA LYS A 85 5.206 -8.117 4.202 1.00 0.00 H new ATOM 0 HB2 LYS A 85 6.857 -9.242 5.482 1.00 0.00 H new ATOM 0 HB3 LYS A 85 7.553 -9.059 3.884 1.00 0.00 H new ATOM 0 HG2 LYS A 85 8.527 -6.805 4.990 1.00 0.00 H new ATOM 0 HG3 LYS A 85 8.324 -7.741 6.457 1.00 0.00 H new ATOM 0 HD2 LYS A 85 9.648 -9.064 4.102 1.00 0.00 H new ATOM 0 HD3 LYS A 85 10.564 -7.874 5.005 1.00 0.00 H new ATOM 0 HE2 LYS A 85 10.461 -9.129 7.017 1.00 0.00 H new ATOM 0 HE3 LYS A 85 9.106 -10.091 6.460 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 10.567 -11.604 5.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 11.144 -10.527 4.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 11.879 -10.585 6.161 1.00 0.00 H new ATOM 1323 N ALA A 86 4.953 -6.969 6.442 1.00 0.00 N ATOM 1324 CA ALA A 86 4.612 -6.138 7.590 1.00 0.00 C ATOM 1325 C ALA A 86 5.280 -6.656 8.860 1.00 0.00 C ATOM 1326 O ALA A 86 5.888 -7.726 8.860 1.00 0.00 O ATOM 1327 CB ALA A 86 3.102 -6.083 7.772 1.00 0.00 C ATOM 0 H ALA A 86 4.450 -7.855 6.398 1.00 0.00 H new ATOM 0 HA ALA A 86 4.982 -5.130 7.400 1.00 0.00 H new ATOM 0 HB1 ALA A 86 2.862 -5.459 8.633 1.00 0.00 H new ATOM 0 HB2 ALA A 86 2.643 -5.660 6.878 1.00 0.00 H new ATOM 0 HB3 ALA A 86 2.718 -7.090 7.935 1.00 0.00 H new ATOM 1333 N ALA A 87 5.164 -5.889 9.939 1.00 0.00 N ATOM 1334 CA ALA A 87 5.756 -6.271 11.215 1.00 0.00 C ATOM 1335 C ALA A 87 5.432 -7.721 11.558 1.00 0.00 C ATOM 1336 O ALA A 87 6.327 -8.560 11.661 1.00 0.00 O ATOM 1337 CB ALA A 87 5.271 -5.344 12.320 1.00 0.00 C ATOM 0 H ALA A 87 4.665 -4.999 9.955 1.00 0.00 H new ATOM 0 HA ALA A 87 6.839 -6.179 11.128 1.00 0.00 H new ATOM 0 HB1 ALA A 87 5.721 -5.641 13.267 1.00 0.00 H new ATOM 0 HB2 ALA A 87 5.558 -4.319 12.087 1.00 0.00 H new ATOM 0 HB3 ALA A 87 4.186 -5.408 12.398 1.00 0.00 H new ATOM 1343 N THR A 88 4.146 -8.009 11.735 1.00 0.00 N ATOM 1344 CA THR A 88 3.705 -9.358 12.069 1.00 0.00 C ATOM 1345 C THR A 88 2.459 -9.740 11.277 1.00 0.00 C ATOM 1346 O THR A 88 1.889 -8.917 10.561 1.00 0.00 O ATOM 1347 CB THR A 88 3.405 -9.494 13.573 1.00 0.00 C ATOM 1348 OG1 THR A 88 2.318 -8.635 13.936 1.00 0.00 O ATOM 1349 CG2 THR A 88 4.631 -9.147 14.404 1.00 0.00 C ATOM 0 H THR A 88 3.392 -7.327 11.653 1.00 0.00 H new ATOM 0 HA THR A 88 4.520 -10.032 11.806 1.00 0.00 H new ATOM 0 HB THR A 88 3.132 -10.530 13.773 1.00 0.00 H new ATOM 0 HG1 THR A 88 2.133 -8.729 14.894 1.00 0.00 H new ATOM 0 HG21 THR A 88 4.394 -9.251 15.463 1.00 0.00 H new ATOM 0 HG22 THR A 88 5.448 -9.822 14.147 1.00 0.00 H new ATOM 0 HG23 THR A 88 4.931 -8.120 14.198 1.00 0.00 H new ATOM 1357 N LYS A 89 2.042 -10.994 11.410 1.00 0.00 N ATOM 1358 CA LYS A 89 0.862 -11.487 10.708 1.00 0.00 C ATOM 1359 C LYS A 89 -0.295 -10.501 10.832 1.00 0.00 C ATOM 1360 O LYS A 89 -1.101 -10.358 9.913 1.00 0.00 O ATOM 1361 CB LYS A 89 0.446 -12.851 11.263 1.00 0.00 C ATOM 1362 CG LYS A 89 -0.841 -13.386 10.659 1.00 0.00 C ATOM 1363 CD LYS A 89 -0.590 -14.062 9.321 1.00 0.00 C ATOM 1364 CE LYS A 89 -1.879 -14.594 8.715 1.00 0.00 C ATOM 1365 NZ LYS A 89 -2.203 -15.960 9.211 1.00 0.00 N ATOM 0 H LYS A 89 2.503 -11.688 11.998 1.00 0.00 H new ATOM 0 HA LYS A 89 1.115 -11.593 9.653 1.00 0.00 H new ATOM 0 HB2 LYS A 89 1.248 -13.567 11.082 1.00 0.00 H new ATOM 0 HB3 LYS A 89 0.326 -12.773 12.344 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -1.299 -14.097 11.347 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -1.550 -12.568 10.527 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -0.130 -13.352 8.634 1.00 0.00 H new ATOM 0 HD3 LYS A 89 0.117 -14.881 9.453 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -2.699 -13.917 8.954 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -1.788 -14.614 7.629 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -3.089 -16.287 8.774 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -1.432 -16.612 8.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -2.315 -15.937 10.245 1.00 0.00 H new ATOM 1379 N GLN A 90 -0.370 -9.823 11.973 1.00 0.00 N ATOM 1380 CA GLN A 90 -1.429 -8.850 12.215 1.00 0.00 C ATOM 1381 C GLN A 90 -1.158 -7.552 11.463 1.00 0.00 C ATOM 1382 O GLN A 90 -2.052 -6.992 10.830 1.00 0.00 O ATOM 1383 CB GLN A 90 -1.559 -8.568 13.713 1.00 0.00 C ATOM 1384 CG GLN A 90 -2.107 -7.186 14.027 1.00 0.00 C ATOM 1385 CD GLN A 90 -2.205 -6.920 15.516 1.00 0.00 C ATOM 1386 OE1 GLN A 90 -1.504 -7.541 16.316 1.00 0.00 O ATOM 1387 NE2 GLN A 90 -3.078 -5.995 15.897 1.00 0.00 N ATOM 0 H GLN A 90 0.289 -9.929 12.744 1.00 0.00 H new ATOM 0 HA GLN A 90 -2.365 -9.271 11.849 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -2.211 -9.318 14.160 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -0.580 -8.677 14.181 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -1.466 -6.433 13.569 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -3.094 -7.080 13.577 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -3.638 -5.505 15.200 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -3.188 -5.775 16.887 1.00 0.00 H new ATOM 1396 N ALA A 91 0.082 -7.079 11.537 1.00 0.00 N ATOM 1397 CA ALA A 91 0.471 -5.847 10.862 1.00 0.00 C ATOM 1398 C ALA A 91 -0.037 -5.825 9.424 1.00 0.00 C ATOM 1399 O ALA A 91 -0.713 -4.883 9.010 1.00 0.00 O ATOM 1400 CB ALA A 91 1.984 -5.684 10.892 1.00 0.00 C ATOM 0 H ALA A 91 0.834 -7.530 12.058 1.00 0.00 H new ATOM 0 HA ALA A 91 0.016 -5.011 11.393 1.00 0.00 H new ATOM 0 HB1 ALA A 91 2.261 -4.760 10.384 1.00 0.00 H new ATOM 0 HB2 ALA A 91 2.325 -5.646 11.926 1.00 0.00 H new ATOM 0 HB3 ALA A 91 2.451 -6.529 10.387 1.00 0.00 H new ATOM 1406 N MET A 92 0.293 -6.867 8.669 1.00 0.00 N ATOM 1407 CA MET A 92 -0.132 -6.967 7.277 1.00 0.00 C ATOM 1408 C MET A 92 -1.653 -6.995 7.174 1.00 0.00 C ATOM 1409 O MET A 92 -2.240 -6.330 6.318 1.00 0.00 O ATOM 1410 CB MET A 92 0.458 -8.221 6.630 1.00 0.00 C ATOM 1411 CG MET A 92 0.134 -9.502 7.381 1.00 0.00 C ATOM 1412 SD MET A 92 0.619 -10.982 6.472 1.00 0.00 S ATOM 1413 CE MET A 92 -0.906 -11.921 6.516 1.00 0.00 C ATOM 0 H MET A 92 0.853 -7.654 8.997 1.00 0.00 H new ATOM 0 HA MET A 92 0.234 -6.088 6.747 1.00 0.00 H new ATOM 0 HB2 MET A 92 0.084 -8.303 5.609 1.00 0.00 H new ATOM 0 HB3 MET A 92 1.541 -8.111 6.565 1.00 0.00 H new ATOM 0 HG2 MET A 92 0.641 -9.491 8.346 1.00 0.00 H new ATOM 0 HG3 MET A 92 -0.936 -9.539 7.583 1.00 0.00 H new ATOM 0 HE1 MET A 92 -0.737 -12.909 6.088 1.00 0.00 H new ATOM 0 HE2 MET A 92 -1.239 -12.025 7.549 1.00 0.00 H new ATOM 0 HE3 MET A 92 -1.670 -11.401 5.939 1.00 0.00 H new ATOM 1423 N LEU A 93 -2.287 -7.767 8.048 1.00 0.00 N ATOM 1424 CA LEU A 93 -3.742 -7.882 8.055 1.00 0.00 C ATOM 1425 C LEU A 93 -4.396 -6.504 8.059 1.00 0.00 C ATOM 1426 O LEU A 93 -5.481 -6.320 7.506 1.00 0.00 O ATOM 1427 CB LEU A 93 -4.204 -8.683 9.273 1.00 0.00 C ATOM 1428 CG LEU A 93 -4.005 -10.197 9.196 1.00 0.00 C ATOM 1429 CD1 LEU A 93 -4.080 -10.817 10.583 1.00 0.00 C ATOM 1430 CD2 LEU A 93 -5.039 -10.825 8.273 1.00 0.00 C ATOM 0 H LEU A 93 -1.817 -8.324 8.762 1.00 0.00 H new ATOM 0 HA LEU A 93 -4.046 -8.405 7.148 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -3.674 -8.311 10.150 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -5.264 -8.484 9.433 1.00 0.00 H new ATOM 0 HG LEU A 93 -3.014 -10.393 8.786 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -3.936 -11.895 10.508 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -3.301 -10.390 11.215 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -5.056 -10.611 11.021 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -4.882 -11.903 8.230 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -6.039 -10.619 8.654 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -4.937 -10.404 7.273 1.00 0.00 H new ATOM 1442 N TYR A 94 -3.730 -5.540 8.685 1.00 0.00 N ATOM 1443 CA TYR A 94 -4.247 -4.179 8.761 1.00 0.00 C ATOM 1444 C TYR A 94 -4.079 -3.457 7.428 1.00 0.00 C ATOM 1445 O TYR A 94 -4.939 -2.677 7.019 1.00 0.00 O ATOM 1446 CB TYR A 94 -3.533 -3.402 9.868 1.00 0.00 C ATOM 1447 CG TYR A 94 -3.673 -1.902 9.741 1.00 0.00 C ATOM 1448 CD1 TYR A 94 -4.892 -1.275 9.975 1.00 0.00 C ATOM 1449 CD2 TYR A 94 -2.587 -1.110 9.389 1.00 0.00 C ATOM 1450 CE1 TYR A 94 -5.024 0.095 9.859 1.00 0.00 C ATOM 1451 CE2 TYR A 94 -2.710 0.261 9.273 1.00 0.00 C ATOM 1452 CZ TYR A 94 -3.930 0.859 9.508 1.00 0.00 C ATOM 1453 OH TYR A 94 -4.058 2.224 9.394 1.00 0.00 O ATOM 0 H TYR A 94 -2.831 -5.676 9.147 1.00 0.00 H new ATOM 0 HA TYR A 94 -5.311 -4.234 8.992 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -3.929 -3.715 10.834 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -2.474 -3.662 9.858 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -5.750 -1.869 10.252 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -1.630 -1.574 9.203 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -5.979 0.566 10.042 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -1.855 0.861 9.000 1.00 0.00 H new ATOM 0 HH TYR A 94 -3.195 2.613 9.141 1.00 0.00 H new ATOM 1463 N TRP A 95 -2.966 -3.723 6.755 1.00 0.00 N ATOM 1464 CA TRP A 95 -2.684 -3.100 5.466 1.00 0.00 C ATOM 1465 C TRP A 95 -3.602 -3.653 4.382 1.00 0.00 C ATOM 1466 O TRP A 95 -4.243 -2.895 3.652 1.00 0.00 O ATOM 1467 CB TRP A 95 -1.222 -3.324 5.077 1.00 0.00 C ATOM 1468 CG TRP A 95 -0.297 -2.274 5.615 1.00 0.00 C ATOM 1469 CD1 TRP A 95 0.391 -2.314 6.794 1.00 0.00 C ATOM 1470 CD2 TRP A 95 0.041 -1.029 4.993 1.00 0.00 C ATOM 1471 NE1 TRP A 95 1.135 -1.168 6.944 1.00 0.00 N ATOM 1472 CE2 TRP A 95 0.938 -0.365 5.852 1.00 0.00 C ATOM 1473 CE3 TRP A 95 -0.326 -0.412 3.795 1.00 0.00 C ATOM 1474 CZ2 TRP A 95 1.471 0.885 5.548 1.00 0.00 C ATOM 1475 CZ3 TRP A 95 0.203 0.829 3.495 1.00 0.00 C ATOM 1476 CH2 TRP A 95 1.094 1.466 4.368 1.00 0.00 C ATOM 0 H TRP A 95 -2.244 -4.366 7.080 1.00 0.00 H new ATOM 0 HA TRP A 95 -2.867 -2.030 5.560 1.00 0.00 H new ATOM 0 HB2 TRP A 95 -0.902 -4.301 5.440 1.00 0.00 H new ATOM 0 HB3 TRP A 95 -1.142 -3.346 3.990 1.00 0.00 H new ATOM 0 HD1 TRP A 95 0.356 -3.127 7.504 1.00 0.00 H new ATOM 0 HE1 TRP A 95 1.736 -0.951 7.739 1.00 0.00 H new ATOM 0 HE3 TRP A 95 -1.011 -0.896 3.115 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 2.158 1.378 6.220 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 -0.075 1.316 2.572 1.00 0.00 H new ATOM 0 HH2 TRP A 95 1.491 2.435 4.104 1.00 0.00 H new ATOM 1487 N LEU A 96 -3.661 -4.976 4.281 1.00 0.00 N ATOM 1488 CA LEU A 96 -4.502 -5.630 3.284 1.00 0.00 C ATOM 1489 C LEU A 96 -5.960 -5.208 3.440 1.00 0.00 C ATOM 1490 O LEU A 96 -6.641 -4.921 2.455 1.00 0.00 O ATOM 1491 CB LEU A 96 -4.384 -7.150 3.408 1.00 0.00 C ATOM 1492 CG LEU A 96 -2.963 -7.709 3.490 1.00 0.00 C ATOM 1493 CD1 LEU A 96 -2.992 -9.216 3.687 1.00 0.00 C ATOM 1494 CD2 LEU A 96 -2.175 -7.347 2.239 1.00 0.00 C ATOM 0 H LEU A 96 -3.137 -5.617 4.877 1.00 0.00 H new ATOM 0 HA LEU A 96 -4.158 -5.323 2.296 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -4.929 -7.465 4.298 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -4.883 -7.604 2.552 1.00 0.00 H new ATOM 0 HG LEU A 96 -2.466 -7.261 4.351 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -1.972 -9.595 3.743 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -3.518 -9.452 4.612 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -3.507 -9.683 2.847 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -1.166 -7.753 2.314 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -2.670 -7.766 1.363 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -2.124 -6.262 2.142 1.00 0.00 H new ATOM 1506 N GLN A 97 -6.430 -5.169 4.682 1.00 0.00 N ATOM 1507 CA GLN A 97 -7.806 -4.780 4.966 1.00 0.00 C ATOM 1508 C GLN A 97 -8.035 -3.308 4.637 1.00 0.00 C ATOM 1509 O GLN A 97 -8.903 -2.971 3.832 1.00 0.00 O ATOM 1510 CB GLN A 97 -8.141 -5.045 6.435 1.00 0.00 C ATOM 1511 CG GLN A 97 -9.499 -4.505 6.856 1.00 0.00 C ATOM 1512 CD GLN A 97 -10.619 -5.500 6.625 1.00 0.00 C ATOM 1513 OE1 GLN A 97 -10.409 -6.567 6.046 1.00 0.00 O ATOM 1514 NE2 GLN A 97 -11.819 -5.156 7.076 1.00 0.00 N ATOM 0 H GLN A 97 -5.878 -5.402 5.508 1.00 0.00 H new ATOM 0 HA GLN A 97 -8.463 -5.380 4.337 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -8.114 -6.119 6.617 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -7.370 -4.596 7.062 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -9.468 -4.237 7.912 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -9.710 -3.591 6.301 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -11.949 -4.262 7.550 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -12.611 -5.785 6.948 1.00 0.00 H new ATOM 1523 N GLN A 98 -7.250 -2.438 5.265 1.00 0.00 N ATOM 1524 CA GLN A 98 -7.369 -1.003 5.039 1.00 0.00 C ATOM 1525 C GLN A 98 -7.166 -0.665 3.565 1.00 0.00 C ATOM 1526 O GLN A 98 -8.061 -0.126 2.913 1.00 0.00 O ATOM 1527 CB GLN A 98 -6.350 -0.245 5.892 1.00 0.00 C ATOM 1528 CG GLN A 98 -6.781 -0.068 7.339 1.00 0.00 C ATOM 1529 CD GLN A 98 -8.217 0.400 7.468 1.00 0.00 C ATOM 1530 OE1 GLN A 98 -9.149 -0.546 7.480 1.00 0.00 O flip ATOM 1531 NE2 GLN A 98 -8.486 1.598 7.554 1.00 0.00 N flip ATOM 0 H GLN A 98 -6.526 -2.702 5.933 1.00 0.00 H new ATOM 0 HA GLN A 98 -8.375 -0.698 5.328 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -5.399 -0.778 5.867 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -6.177 0.736 5.450 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -6.662 -1.014 7.868 1.00 0.00 H new ATOM 0 HG3 GLN A 98 -6.123 0.653 7.824 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -7.738 2.291 7.541 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -9.457 1.898 7.639 1.00 0.00 H new ATOM 1540 N LEU A 99 -5.986 -0.985 3.047 1.00 0.00 N ATOM 1541 CA LEU A 99 -5.666 -0.715 1.649 1.00 0.00 C ATOM 1542 C LEU A 99 -6.898 -0.881 0.766 1.00 0.00 C ATOM 1543 O LEU A 99 -7.198 -0.023 -0.064 1.00 0.00 O ATOM 1544 CB LEU A 99 -4.553 -1.650 1.171 1.00 0.00 C ATOM 1545 CG LEU A 99 -3.138 -1.303 1.639 1.00 0.00 C ATOM 1546 CD1 LEU A 99 -2.189 -2.460 1.370 1.00 0.00 C ATOM 1547 CD2 LEU A 99 -2.646 -0.037 0.953 1.00 0.00 C ATOM 0 H LEU A 99 -5.235 -1.432 3.573 1.00 0.00 H new ATOM 0 HA LEU A 99 -5.324 0.317 1.573 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -4.787 -2.661 1.504 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -4.561 -1.664 0.081 1.00 0.00 H new ATOM 0 HG LEU A 99 -3.164 -1.124 2.714 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -1.187 -2.195 1.709 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -2.532 -3.344 1.907 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -2.166 -2.671 0.301 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -1.638 0.195 1.297 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -2.635 -0.189 -0.126 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -3.312 0.791 1.196 1.00 0.00 H new ATOM 1559 N GLN A 100 -7.609 -1.988 0.953 1.00 0.00 N ATOM 1560 CA GLN A 100 -8.811 -2.265 0.174 1.00 0.00 C ATOM 1561 C GLN A 100 -9.818 -1.127 0.306 1.00 0.00 C ATOM 1562 O GLN A 100 -10.245 -0.545 -0.691 1.00 0.00 O ATOM 1563 CB GLN A 100 -9.446 -3.580 0.628 1.00 0.00 C ATOM 1564 CG GLN A 100 -8.891 -4.802 -0.087 1.00 0.00 C ATOM 1565 CD GLN A 100 -9.778 -6.021 0.069 1.00 0.00 C ATOM 1566 OE1 GLN A 100 -10.733 -6.209 -0.686 1.00 0.00 O ATOM 1567 NE2 GLN A 100 -9.466 -6.860 1.050 1.00 0.00 N ATOM 0 H GLN A 100 -7.374 -2.708 1.637 1.00 0.00 H new ATOM 0 HA GLN A 100 -8.524 -2.352 -0.874 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -9.293 -3.696 1.701 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -10.522 -3.530 0.463 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -8.773 -4.576 -1.147 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -7.898 -5.027 0.303 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -8.666 -6.666 1.652 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -10.026 -7.699 1.201 1.00 0.00 H new ATOM 1576 N MET A 101 -10.195 -0.817 1.542 1.00 0.00 N ATOM 1577 CA MET A 101 -11.152 0.252 1.803 1.00 0.00 C ATOM 1578 C MET A 101 -10.974 1.396 0.809 1.00 0.00 C ATOM 1579 O MET A 101 -11.944 1.884 0.228 1.00 0.00 O ATOM 1580 CB MET A 101 -10.990 0.773 3.232 1.00 0.00 C ATOM 1581 CG MET A 101 -11.445 -0.214 4.294 1.00 0.00 C ATOM 1582 SD MET A 101 -13.123 -0.812 4.013 1.00 0.00 S ATOM 1583 CE MET A 101 -12.799 -2.488 3.471 1.00 0.00 C ATOM 0 H MET A 101 -9.853 -1.290 2.378 1.00 0.00 H new ATOM 0 HA MET A 101 -12.156 -0.156 1.684 1.00 0.00 H new ATOM 0 HB2 MET A 101 -9.942 1.021 3.403 1.00 0.00 H new ATOM 0 HB3 MET A 101 -11.558 1.697 3.340 1.00 0.00 H new ATOM 0 HG2 MET A 101 -10.760 -1.062 4.314 1.00 0.00 H new ATOM 0 HG3 MET A 101 -11.392 0.262 5.273 1.00 0.00 H new ATOM 0 HE1 MET A 101 -13.743 -2.990 3.258 1.00 0.00 H new ATOM 0 HE2 MET A 101 -12.187 -2.467 2.569 1.00 0.00 H new ATOM 0 HE3 MET A 101 -12.270 -3.028 4.256 1.00 0.00 H new ATOM 1593 N LYS A 102 -9.730 1.820 0.618 1.00 0.00 N ATOM 1594 CA LYS A 102 -9.424 2.905 -0.306 1.00 0.00 C ATOM 1595 C LYS A 102 -9.889 2.565 -1.718 1.00 0.00 C ATOM 1596 O LYS A 102 -10.579 3.356 -2.362 1.00 0.00 O ATOM 1597 CB LYS A 102 -7.921 3.193 -0.308 1.00 0.00 C ATOM 1598 CG LYS A 102 -7.342 3.416 1.078 1.00 0.00 C ATOM 1599 CD LYS A 102 -7.822 4.726 1.679 1.00 0.00 C ATOM 1600 CE LYS A 102 -6.979 5.132 2.878 1.00 0.00 C ATOM 1601 NZ LYS A 102 -7.460 4.496 4.136 1.00 0.00 N ATOM 0 H LYS A 102 -8.916 1.428 1.092 1.00 0.00 H new ATOM 0 HA LYS A 102 -9.958 3.795 0.029 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -7.401 2.360 -0.780 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -7.730 4.075 -0.919 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -7.627 2.590 1.729 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -6.253 3.417 1.023 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -7.783 5.510 0.923 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -8.864 4.628 1.982 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -5.940 4.851 2.703 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -7.002 6.216 2.988 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -6.859 4.798 4.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -8.443 4.784 4.317 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -7.414 3.461 4.041 1.00 0.00 H new ATOM 1615 N ARG A 103 -9.509 1.384 -2.193 1.00 0.00 N ATOM 1616 CA ARG A 103 -9.887 0.939 -3.529 1.00 0.00 C ATOM 1617 C ARG A 103 -11.368 0.574 -3.581 1.00 0.00 C ATOM 1618 O ARG A 103 -12.152 1.220 -4.276 1.00 0.00 O ATOM 1619 CB ARG A 103 -9.040 -0.263 -3.949 1.00 0.00 C ATOM 1620 CG ARG A 103 -9.541 -0.952 -5.207 1.00 0.00 C ATOM 1621 CD ARG A 103 -9.038 -2.385 -5.296 1.00 0.00 C ATOM 1622 NE ARG A 103 -9.953 -3.240 -6.048 1.00 0.00 N ATOM 1623 CZ ARG A 103 -9.949 -4.566 -5.971 1.00 0.00 C ATOM 1624 NH1 ARG A 103 -9.083 -5.185 -5.180 1.00 0.00 N ATOM 1625 NH2 ARG A 103 -10.812 -5.276 -6.686 1.00 0.00 N ATOM 0 H ARG A 103 -8.939 0.717 -1.672 1.00 0.00 H new ATOM 0 HA ARG A 103 -9.708 1.761 -4.222 1.00 0.00 H new ATOM 0 HB2 ARG A 103 -8.013 0.065 -4.109 1.00 0.00 H new ATOM 0 HB3 ARG A 103 -9.020 -0.985 -3.133 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -10.631 -0.947 -5.216 1.00 0.00 H new ATOM 0 HG3 ARG A 103 -9.212 -0.395 -6.084 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -8.057 -2.396 -5.772 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -8.909 -2.787 -4.291 1.00 0.00 H new ATOM 0 HE ARG A 103 -10.632 -2.795 -6.666 1.00 0.00 H new ATOM 0 HH11 ARG A 103 -8.418 -4.643 -4.629 1.00 0.00 H new ATOM 0 HH12 ARG A 103 -9.082 -6.203 -5.123 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -11.480 -4.804 -7.296 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -10.808 -6.294 -6.626 1.00 0.00 H new ATOM 1639 N TRP A 104 -11.742 -0.464 -2.842 1.00 0.00 N ATOM 1640 CA TRP A 104 -13.129 -0.915 -2.805 1.00 0.00 C ATOM 1641 C TRP A 104 -14.086 0.271 -2.772 1.00 0.00 C ATOM 1642 O TRP A 104 -15.119 0.263 -3.440 1.00 0.00 O ATOM 1643 CB TRP A 104 -13.363 -1.810 -1.586 1.00 0.00 C ATOM 1644 CG TRP A 104 -14.793 -1.842 -1.139 1.00 0.00 C ATOM 1645 CD1 TRP A 104 -15.773 -2.681 -1.586 1.00 0.00 C ATOM 1646 CD2 TRP A 104 -15.403 -0.995 -0.159 1.00 0.00 C ATOM 1647 NE1 TRP A 104 -16.955 -2.408 -0.942 1.00 0.00 N ATOM 1648 CE2 TRP A 104 -16.755 -1.378 -0.061 1.00 0.00 C ATOM 1649 CE3 TRP A 104 -14.939 0.047 0.648 1.00 0.00 C ATOM 1650 CZ2 TRP A 104 -17.644 -0.754 0.809 1.00 0.00 C ATOM 1651 CZ3 TRP A 104 -15.823 0.666 1.511 1.00 0.00 C ATOM 1652 CH2 TRP A 104 -17.163 0.264 1.587 1.00 0.00 C ATOM 0 H TRP A 104 -11.105 -1.009 -2.261 1.00 0.00 H new ATOM 0 HA TRP A 104 -13.323 -1.489 -3.711 1.00 0.00 H new ATOM 0 HB2 TRP A 104 -13.041 -2.824 -1.822 1.00 0.00 H new ATOM 0 HB3 TRP A 104 -12.740 -1.461 -0.763 1.00 0.00 H new ATOM 0 HD1 TRP A 104 -15.639 -3.447 -2.336 1.00 0.00 H new ATOM 0 HE1 TRP A 104 -17.839 -2.894 -1.095 1.00 0.00 H new ATOM 0 HE3 TRP A 104 -13.907 0.363 0.598 1.00 0.00 H new ATOM 0 HZ2 TRP A 104 -18.677 -1.062 0.868 1.00 0.00 H new ATOM 0 HZ3 TRP A 104 -15.475 1.474 2.138 1.00 0.00 H new ATOM 0 HH2 TRP A 104 -17.829 0.767 2.273 1.00 0.00 H new ATOM 1663 N GLU A 105 -13.736 1.288 -1.991 1.00 0.00 N ATOM 1664 CA GLU A 105 -14.566 2.480 -1.872 1.00 0.00 C ATOM 1665 C GLU A 105 -14.880 3.064 -3.246 1.00 0.00 C ATOM 1666 O GLU A 105 -16.036 3.100 -3.669 1.00 0.00 O ATOM 1667 CB GLU A 105 -13.868 3.531 -1.007 1.00 0.00 C ATOM 1668 CG GLU A 105 -14.176 3.402 0.475 1.00 0.00 C ATOM 1669 CD GLU A 105 -13.304 4.299 1.333 1.00 0.00 C ATOM 1670 OE1 GLU A 105 -12.190 4.644 0.887 1.00 0.00 O ATOM 1671 OE2 GLU A 105 -13.736 4.655 2.449 1.00 0.00 O ATOM 0 H GLU A 105 -12.883 1.310 -1.432 1.00 0.00 H new ATOM 0 HA GLU A 105 -15.503 2.192 -1.396 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -12.791 3.453 -1.154 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -14.165 4.524 -1.346 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -15.224 3.648 0.647 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -14.037 2.365 0.782 1.00 0.00 H new ATOM 1678 N PHE A 106 -13.843 3.521 -3.939 1.00 0.00 N ATOM 1679 CA PHE A 106 -14.006 4.105 -5.266 1.00 0.00 C ATOM 1680 C PHE A 106 -15.039 3.329 -6.078 1.00 0.00 C ATOM 1681 O PHE A 106 -15.858 3.916 -6.786 1.00 0.00 O ATOM 1682 CB PHE A 106 -12.668 4.125 -6.006 1.00 0.00 C ATOM 1683 CG PHE A 106 -12.809 4.267 -7.495 1.00 0.00 C ATOM 1684 CD1 PHE A 106 -13.099 5.498 -8.062 1.00 0.00 C ATOM 1685 CD2 PHE A 106 -12.651 3.171 -8.327 1.00 0.00 C ATOM 1686 CE1 PHE A 106 -13.229 5.632 -9.432 1.00 0.00 C ATOM 1687 CE2 PHE A 106 -12.779 3.300 -9.697 1.00 0.00 C ATOM 1688 CZ PHE A 106 -13.070 4.532 -10.250 1.00 0.00 C ATOM 0 H PHE A 106 -12.880 3.498 -3.604 1.00 0.00 H new ATOM 0 HA PHE A 106 -14.360 5.129 -5.144 1.00 0.00 H new ATOM 0 HB2 PHE A 106 -12.064 4.949 -5.626 1.00 0.00 H new ATOM 0 HB3 PHE A 106 -12.126 3.205 -5.786 1.00 0.00 H new ATOM 0 HD1 PHE A 106 -13.225 6.362 -7.427 1.00 0.00 H new ATOM 0 HD2 PHE A 106 -12.425 2.205 -7.900 1.00 0.00 H new ATOM 0 HE1 PHE A 106 -13.455 6.597 -9.862 1.00 0.00 H new ATOM 0 HE2 PHE A 106 -12.652 2.438 -10.335 1.00 0.00 H new ATOM 0 HZ PHE A 106 -13.173 4.634 -11.320 1.00 0.00 H new ATOM 1698 N HIS A 107 -14.993 2.004 -5.971 1.00 0.00 N ATOM 1699 CA HIS A 107 -15.923 1.146 -6.696 1.00 0.00 C ATOM 1700 C HIS A 107 -17.349 1.341 -6.188 1.00 0.00 C ATOM 1701 O HIS A 107 -18.297 1.378 -6.972 1.00 0.00 O ATOM 1702 CB HIS A 107 -15.514 -0.320 -6.553 1.00 0.00 C ATOM 1703 CG HIS A 107 -14.261 -0.668 -7.296 1.00 0.00 C ATOM 1704 ND1 HIS A 107 -14.177 -0.667 -8.672 1.00 0.00 N ATOM 1705 CD2 HIS A 107 -13.036 -1.026 -6.846 1.00 0.00 C ATOM 1706 CE1 HIS A 107 -12.955 -1.012 -9.037 1.00 0.00 C ATOM 1707 NE2 HIS A 107 -12.243 -1.235 -7.947 1.00 0.00 N ATOM 0 H HIS A 107 -14.322 1.502 -5.389 1.00 0.00 H new ATOM 0 HA HIS A 107 -15.890 1.423 -7.750 1.00 0.00 H new ATOM 0 HB2 HIS A 107 -15.375 -0.548 -5.496 1.00 0.00 H new ATOM 0 HB3 HIS A 107 -16.327 -0.952 -6.912 1.00 0.00 H new ATOM 0 HD1 HIS A 107 -14.939 -0.436 -9.309 1.00 0.00 H new ATOM 0 HD2 HIS A 107 -12.738 -1.128 -5.813 1.00 0.00 H new ATOM 0 HE1 HIS A 107 -12.599 -1.097 -10.053 1.00 0.00 H new ATOM 1716 N ASN A 108 -17.492 1.463 -4.873 1.00 0.00 N ATOM 1717 CA ASN A 108 -18.802 1.652 -4.261 1.00 0.00 C ATOM 1718 C ASN A 108 -19.283 3.090 -4.438 1.00 0.00 C ATOM 1719 O ASN A 108 -20.322 3.337 -5.049 1.00 0.00 O ATOM 1720 CB ASN A 108 -18.749 1.300 -2.773 1.00 0.00 C ATOM 1721 CG ASN A 108 -18.730 -0.197 -2.534 1.00 0.00 C ATOM 1722 OD1 ASN A 108 -17.716 -0.869 -3.066 1.00 0.00 O flip ATOM 1723 ND2 ASN A 108 -19.618 -0.744 -1.878 1.00 0.00 N flip ATOM 0 H ASN A 108 -16.717 1.434 -4.210 1.00 0.00 H new ATOM 0 HA ASN A 108 -19.507 0.987 -4.760 1.00 0.00 H new ATOM 0 HB2 ASN A 108 -17.860 1.748 -2.328 1.00 0.00 H new ATOM 0 HB3 ASN A 108 -19.612 1.735 -2.268 1.00 0.00 H new ATOM 0 HD21 ASN A 108 -20.379 -0.189 -1.487 1.00 0.00 H new ATOM 0 HD22 ASN A 108 -19.592 -1.752 -1.726 1.00 0.00 H new ATOM 1730 N SER A 109 -18.518 4.034 -3.899 1.00 0.00 N ATOM 1731 CA SER A 109 -18.867 5.447 -3.994 1.00 0.00 C ATOM 1732 C SER A 109 -17.655 6.279 -4.400 1.00 0.00 C ATOM 1733 O SER A 109 -16.977 6.882 -3.568 1.00 0.00 O ATOM 1734 CB SER A 109 -19.421 5.948 -2.658 1.00 0.00 C ATOM 1735 OG SER A 109 -19.513 7.362 -2.644 1.00 0.00 O ATOM 0 H SER A 109 -17.653 3.846 -3.392 1.00 0.00 H new ATOM 0 HA SER A 109 -19.634 5.556 -4.761 1.00 0.00 H new ATOM 0 HB2 SER A 109 -20.406 5.514 -2.483 1.00 0.00 H new ATOM 0 HB3 SER A 109 -18.777 5.614 -1.845 1.00 0.00 H new ATOM 0 HG SER A 109 -19.871 7.658 -1.781 1.00 0.00 H new ATOM 1741 N PRO A 110 -17.376 6.315 -5.711 1.00 0.00 N ATOM 1742 CA PRO A 110 -16.245 7.071 -6.259 1.00 0.00 C ATOM 1743 C PRO A 110 -16.454 8.578 -6.163 1.00 0.00 C ATOM 1744 O PRO A 110 -17.524 9.102 -6.474 1.00 0.00 O ATOM 1745 CB PRO A 110 -16.201 6.630 -7.725 1.00 0.00 C ATOM 1746 CG PRO A 110 -17.594 6.203 -8.034 1.00 0.00 C ATOM 1747 CD PRO A 110 -18.142 5.621 -6.760 1.00 0.00 C ATOM 0 HA PRO A 110 -15.322 6.877 -5.713 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -15.884 7.446 -8.374 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -15.495 5.813 -7.872 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -18.196 7.048 -8.367 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -17.607 5.466 -8.837 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -19.212 5.803 -6.663 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -17.997 4.542 -6.716 1.00 0.00 H new ATOM 1755 N PRO A 111 -15.409 9.294 -5.723 1.00 0.00 N ATOM 1756 CA PRO A 111 -15.454 10.752 -5.576 1.00 0.00 C ATOM 1757 C PRO A 111 -15.503 11.468 -6.922 1.00 0.00 C ATOM 1758 O PRO A 111 -15.351 10.846 -7.973 1.00 0.00 O ATOM 1759 CB PRO A 111 -14.148 11.075 -4.846 1.00 0.00 C ATOM 1760 CG PRO A 111 -13.232 9.953 -5.194 1.00 0.00 C ATOM 1761 CD PRO A 111 -14.103 8.736 -5.335 1.00 0.00 C ATOM 0 HA PRO A 111 -16.347 11.081 -5.046 1.00 0.00 H new ATOM 0 HB2 PRO A 111 -13.741 12.033 -5.169 1.00 0.00 H new ATOM 0 HB3 PRO A 111 -14.302 11.141 -3.769 1.00 0.00 H new ATOM 0 HG2 PRO A 111 -12.697 10.159 -6.121 1.00 0.00 H new ATOM 0 HG3 PRO A 111 -12.481 9.807 -4.418 1.00 0.00 H new ATOM 0 HD2 PRO A 111 -13.718 8.052 -6.091 1.00 0.00 H new ATOM 0 HD3 PRO A 111 -14.166 8.177 -4.401 1.00 0.00 H new ATOM 1769 N ALA A 112 -15.716 12.780 -6.881 1.00 0.00 N ATOM 1770 CA ALA A 112 -15.783 13.581 -8.097 1.00 0.00 C ATOM 1771 C ALA A 112 -14.424 13.647 -8.786 1.00 0.00 C ATOM 1772 O ALA A 112 -13.375 13.514 -8.156 1.00 0.00 O ATOM 1773 CB ALA A 112 -16.285 14.981 -7.779 1.00 0.00 C ATOM 0 H ALA A 112 -15.845 13.310 -6.019 1.00 0.00 H new ATOM 0 HA ALA A 112 -16.484 13.102 -8.780 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -16.330 15.568 -8.696 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -17.280 14.919 -7.338 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -15.605 15.460 -7.074 1.00 0.00 H new ATOM 1779 N PRO A 113 -14.441 13.858 -10.110 1.00 0.00 N ATOM 1780 CA PRO A 113 -13.218 13.946 -10.914 1.00 0.00 C ATOM 1781 C PRO A 113 -12.424 15.216 -10.623 1.00 0.00 C ATOM 1782 O PRO A 113 -12.906 16.117 -9.937 1.00 0.00 O ATOM 1783 CB PRO A 113 -13.739 13.959 -12.353 1.00 0.00 C ATOM 1784 CG PRO A 113 -15.123 14.499 -12.250 1.00 0.00 C ATOM 1785 CD PRO A 113 -15.655 14.026 -10.926 1.00 0.00 C ATOM 0 HA PRO A 113 -12.531 13.126 -10.703 1.00 0.00 H new ATOM 0 HB2 PRO A 113 -13.117 14.584 -12.994 1.00 0.00 H new ATOM 0 HB3 PRO A 113 -13.736 12.958 -12.784 1.00 0.00 H new ATOM 0 HG2 PRO A 113 -15.122 15.588 -12.304 1.00 0.00 H new ATOM 0 HG3 PRO A 113 -15.744 14.140 -13.071 1.00 0.00 H new ATOM 0 HD2 PRO A 113 -16.338 14.752 -10.485 1.00 0.00 H new ATOM 0 HD3 PRO A 113 -16.205 13.090 -11.025 1.00 0.00 H new ATOM 1793 N SER A 114 -11.206 15.280 -11.151 1.00 0.00 N ATOM 1794 CA SER A 114 -10.345 16.439 -10.945 1.00 0.00 C ATOM 1795 C SER A 114 -9.742 16.909 -12.266 1.00 0.00 C ATOM 1796 O SER A 114 -9.770 16.191 -13.264 1.00 0.00 O ATOM 1797 CB SER A 114 -9.229 16.101 -9.954 1.00 0.00 C ATOM 1798 OG SER A 114 -8.282 15.220 -10.532 1.00 0.00 O ATOM 0 H SER A 114 -10.793 14.544 -11.724 1.00 0.00 H new ATOM 0 HA SER A 114 -10.954 17.245 -10.536 1.00 0.00 H new ATOM 0 HB2 SER A 114 -8.731 17.017 -9.636 1.00 0.00 H new ATOM 0 HB3 SER A 114 -9.657 15.645 -9.061 1.00 0.00 H new ATOM 0 HG SER A 114 -7.579 15.021 -9.879 1.00 0.00 H new ATOM 1804 N GLY A 115 -9.197 18.122 -12.262 1.00 0.00 N ATOM 1805 CA GLY A 115 -8.596 18.669 -13.464 1.00 0.00 C ATOM 1806 C GLY A 115 -9.628 19.060 -14.502 1.00 0.00 C ATOM 1807 O GLY A 115 -10.538 18.295 -14.823 1.00 0.00 O ATOM 0 H GLY A 115 -9.161 18.735 -11.448 1.00 0.00 H new ATOM 0 HA2 GLY A 115 -7.999 19.543 -13.203 1.00 0.00 H new ATOM 0 HA3 GLY A 115 -7.915 17.934 -13.893 1.00 0.00 H new ATOM 1811 N PRO A 116 -9.495 20.279 -15.045 1.00 0.00 N ATOM 1812 CA PRO A 116 -10.416 20.799 -16.061 1.00 0.00 C ATOM 1813 C PRO A 116 -10.270 20.080 -17.398 1.00 0.00 C ATOM 1814 O PRO A 116 -11.260 19.679 -18.009 1.00 0.00 O ATOM 1815 CB PRO A 116 -10.004 22.267 -16.195 1.00 0.00 C ATOM 1816 CG PRO A 116 -8.576 22.300 -15.771 1.00 0.00 C ATOM 1817 CD PRO A 116 -8.435 21.244 -14.710 1.00 0.00 C ATOM 0 HA PRO A 116 -11.459 20.659 -15.776 1.00 0.00 H new ATOM 0 HB2 PRO A 116 -10.121 22.619 -17.220 1.00 0.00 H new ATOM 0 HB3 PRO A 116 -10.619 22.910 -15.565 1.00 0.00 H new ATOM 0 HG2 PRO A 116 -7.914 22.098 -16.613 1.00 0.00 H new ATOM 0 HG3 PRO A 116 -8.307 23.282 -15.382 1.00 0.00 H new ATOM 0 HD2 PRO A 116 -7.448 20.781 -14.733 1.00 0.00 H new ATOM 0 HD3 PRO A 116 -8.570 21.658 -13.711 1.00 0.00 H new ATOM 1825 N SER A 117 -9.028 19.921 -17.846 1.00 0.00 N ATOM 1826 CA SER A 117 -8.753 19.253 -19.113 1.00 0.00 C ATOM 1827 C SER A 117 -9.672 18.050 -19.304 1.00 0.00 C ATOM 1828 O SER A 117 -9.461 16.994 -18.708 1.00 0.00 O ATOM 1829 CB SER A 117 -7.291 18.807 -19.171 1.00 0.00 C ATOM 1830 OG SER A 117 -6.977 17.945 -18.091 1.00 0.00 O ATOM 0 H SER A 117 -8.197 20.245 -17.351 1.00 0.00 H new ATOM 0 HA SER A 117 -8.941 19.963 -19.918 1.00 0.00 H new ATOM 0 HB2 SER A 117 -7.101 18.296 -20.115 1.00 0.00 H new ATOM 0 HB3 SER A 117 -6.640 19.681 -19.144 1.00 0.00 H new ATOM 0 HG SER A 117 -7.663 17.249 -18.018 1.00 0.00 H new ATOM 1836 N SER A 118 -10.692 18.219 -20.139 1.00 0.00 N ATOM 1837 CA SER A 118 -11.647 17.149 -20.406 1.00 0.00 C ATOM 1838 C SER A 118 -11.992 17.088 -21.891 1.00 0.00 C ATOM 1839 O SER A 118 -12.457 18.068 -22.473 1.00 0.00 O ATOM 1840 CB SER A 118 -12.920 17.355 -19.583 1.00 0.00 C ATOM 1841 OG SER A 118 -13.685 18.435 -20.089 1.00 0.00 O ATOM 0 H SER A 118 -10.879 19.086 -20.642 1.00 0.00 H new ATOM 0 HA SER A 118 -11.186 16.204 -20.118 1.00 0.00 H new ATOM 0 HB2 SER A 118 -13.518 16.444 -19.598 1.00 0.00 H new ATOM 0 HB3 SER A 118 -12.657 17.547 -18.543 1.00 0.00 H new ATOM 0 HG SER A 118 -13.413 18.625 -21.011 1.00 0.00 H new ATOM 1847 N GLY A 119 -11.761 15.929 -22.499 1.00 0.00 N ATOM 1848 CA GLY A 119 -12.052 15.760 -23.910 1.00 0.00 C ATOM 1849 C GLY A 119 -13.397 15.103 -24.150 1.00 0.00 C ATOM 1850 O GLY A 119 -13.969 15.221 -25.234 1.00 0.00 O ATOM 0 H GLY A 119 -11.377 15.103 -22.039 1.00 0.00 H new ATOM 0 HA2 GLY A 119 -12.034 16.733 -24.401 1.00 0.00 H new ATOM 0 HA3 GLY A 119 -11.269 15.157 -24.370 1.00 0.00 H new TER 1854 GLY A 119