USER MOD reduce.3.24.130724 H: found=0, std=0, add=731, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 608 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 68 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 73 THR OG1 : rot 52:sc= 1.11 USER MOD Set 2.1: A 64 ASN : amide:sc= -1.34 K(o=-1.3,f=-6.3!) USER MOD Set 2.2: A 66 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 40 SER OG : rot -171:sc= 0.0121 USER MOD Set 3.2: A 44 LYS NZ :NH3+ 176:sc= 0.0122 (180deg=0) USER MOD Set 4.1: A 6 TYR OH : rot 177:sc= -0.682 USER MOD Set 4.2: A 38 TYR OH : rot -154:sc= 1.48 USER MOD Single : A 1 MET CE :methyl 138:sc= -0.571 (180deg=-2.85!) USER MOD Single : A 1 MET N :NH3+ -127:sc= -0.7 (180deg=-3.83!) USER MOD Single : A 3 THR OG1 : rot 180:sc= -0.592 USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 75:sc= 1.15 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ -142:sc= -0.0908 (180deg=-1.36) USER MOD Single : A 20 THR OG1 : rot 148:sc= 0.357 USER MOD Single : A 22 ASN : amide:sc= -0.218 K(o=-0.22,f=-1.1) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 180:sc= -0.468 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 THR OG1 : rot 66:sc= -0.897 USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 MET CE :methyl 154:sc= -3.85! (180deg=-5.85!) USER MOD Single : A 47 TYR OH : rot -39:sc= 1.26 USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 ASN : amide:sc= -0.133 X(o=-0.13,f=-0.014) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN : amide:sc= -1.29 K(o=-1.3,f=-2.5!) USER MOD Single : A 61 ASN : amide:sc= -1.87 K(o=-1.9,f=-3.9!) USER MOD Single : A 63 ASN : amide:sc= -0.133 K(o=-0.13,f=-2!) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 69 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 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -3.010 12.088 7.384 1.00 13.42 N ATOM 2 CA MET A 1 -2.085 11.021 7.746 1.00 64.54 C ATOM 3 C MET A 1 -2.568 9.677 7.207 1.00 73.12 C ATOM 4 O MET A 1 -3.771 9.429 7.120 1.00 62.31 O ATOM 5 CB MET A 1 -1.926 10.947 9.265 1.00 43.23 C ATOM 6 CG MET A 1 -1.159 9.721 9.736 1.00 52.32 C ATOM 7 SD MET A 1 -0.487 9.920 11.398 1.00 41.24 S ATOM 8 CE MET A 1 -1.591 8.868 12.338 1.00 0.33 C ATOM 0 H1 MET A 1 -2.488 12.855 6.914 1.00 13.42 H new ATOM 0 H2 MET A 1 -3.734 11.715 6.737 1.00 13.42 H new ATOM 0 H3 MET A 1 -3.469 12.456 8.242 1.00 13.42 H new ATOM 0 HA MET A 1 -1.117 11.246 7.298 1.00 64.54 H new ATOM 0 HB2 MET A 1 -1.412 11.843 9.613 1.00 43.23 H new ATOM 0 HB3 MET A 1 -2.914 10.947 9.726 1.00 43.23 H new ATOM 0 HG2 MET A 1 -1.819 8.854 9.716 1.00 52.32 H new ATOM 0 HG3 MET A 1 -0.345 9.517 9.041 1.00 52.32 H new ATOM 0 HE1 MET A 1 -1.016 8.292 13.063 1.00 0.33 H new ATOM 0 HE2 MET A 1 -2.322 9.484 12.862 1.00 0.33 H new ATOM 0 HE3 MET A 1 -2.108 8.187 11.662 1.00 0.33 H new ATOM 16 N VAL A 2 -1.623 8.815 6.846 1.00 23.23 N ATOM 17 CA VAL A 2 -1.953 7.497 6.317 1.00 32.23 C ATOM 18 C VAL A 2 -1.219 6.399 7.079 1.00 60.52 C ATOM 19 O VAL A 2 -0.007 6.475 7.284 1.00 24.10 O ATOM 20 CB VAL A 2 -1.605 7.389 4.820 1.00 54.20 C ATOM 21 CG1 VAL A 2 -2.450 8.356 4.004 1.00 72.02 C ATOM 22 CG2 VAL A 2 -0.122 7.649 4.599 1.00 4.02 C ATOM 0 H VAL A 2 -0.623 9.006 6.910 1.00 23.23 H new ATOM 0 HA VAL A 2 -3.028 7.366 6.443 1.00 32.23 H new ATOM 0 HB VAL A 2 -1.828 6.376 4.485 1.00 54.20 H new ATOM 0 HG11 VAL A 2 -2.190 8.265 2.949 1.00 72.02 H new ATOM 0 HG12 VAL A 2 -3.506 8.120 4.139 1.00 72.02 H new ATOM 0 HG13 VAL A 2 -2.260 9.376 4.338 1.00 72.02 H new ATOM 0 HG21 VAL A 2 0.107 7.569 3.536 1.00 4.02 H new ATOM 0 HG22 VAL A 2 0.128 8.650 4.950 1.00 4.02 H new ATOM 0 HG23 VAL A 2 0.463 6.914 5.153 1.00 4.02 H new ATOM 32 N THR A 3 -1.960 5.377 7.495 1.00 11.31 N ATOM 33 CA THR A 3 -1.381 4.264 8.235 1.00 72.22 C ATOM 34 C THR A 3 -1.464 2.969 7.434 1.00 50.11 C ATOM 35 O THR A 3 -2.506 2.646 6.864 1.00 11.35 O ATOM 36 CB THR A 3 -2.085 4.062 9.590 1.00 60.54 C ATOM 37 OG1 THR A 3 -2.433 5.331 10.154 1.00 24.14 O ATOM 38 CG2 THR A 3 -1.190 3.300 10.556 1.00 73.41 C ATOM 0 H THR A 3 -2.964 5.298 7.331 1.00 11.31 H new ATOM 0 HA THR A 3 -0.335 4.513 8.412 1.00 72.22 H new ATOM 0 HB THR A 3 -2.990 3.479 9.422 1.00 60.54 H new ATOM 0 HG1 THR A 3 -2.882 5.195 11.014 1.00 24.14 H new ATOM 0 HG21 THR A 3 -1.708 3.169 11.506 1.00 73.41 H new ATOM 0 HG22 THR A 3 -0.950 2.323 10.136 1.00 73.41 H new ATOM 0 HG23 THR A 3 -0.270 3.861 10.719 1.00 73.41 H new ATOM 46 N VAL A 4 -0.360 2.230 7.395 1.00 71.11 N ATOM 47 CA VAL A 4 -0.309 0.970 6.665 1.00 44.23 C ATOM 48 C VAL A 4 0.235 -0.152 7.543 1.00 61.31 C ATOM 49 O VAL A 4 1.164 0.052 8.324 1.00 14.11 O ATOM 50 CB VAL A 4 0.564 1.086 5.401 1.00 12.50 C ATOM 51 CG1 VAL A 4 -0.163 1.873 4.321 1.00 13.03 C ATOM 52 CG2 VAL A 4 1.900 1.733 5.736 1.00 71.51 C ATOM 0 H VAL A 4 0.511 2.483 7.861 1.00 71.11 H new ATOM 0 HA VAL A 4 -1.332 0.735 6.370 1.00 44.23 H new ATOM 0 HB VAL A 4 0.757 0.084 5.019 1.00 12.50 H new ATOM 0 HG11 VAL A 4 0.469 1.945 3.436 1.00 13.03 H new ATOM 0 HG12 VAL A 4 -1.092 1.365 4.064 1.00 13.03 H new ATOM 0 HG13 VAL A 4 -0.387 2.874 4.689 1.00 13.03 H new ATOM 0 HG21 VAL A 4 2.505 1.808 4.832 1.00 71.51 H new ATOM 0 HG22 VAL A 4 1.730 2.730 6.142 1.00 71.51 H new ATOM 0 HG23 VAL A 4 2.424 1.125 6.474 1.00 71.51 H new ATOM 62 N ARG A 5 -0.349 -1.339 7.408 1.00 34.34 N ATOM 63 CA ARG A 5 0.078 -2.493 8.189 1.00 4.53 C ATOM 64 C ARG A 5 0.650 -3.580 7.285 1.00 4.25 C ATOM 65 O ARG A 5 0.344 -3.635 6.094 1.00 4.23 O ATOM 66 CB ARG A 5 -1.097 -3.051 8.996 1.00 24.05 C ATOM 67 CG ARG A 5 -1.278 -2.385 10.350 1.00 60.01 C ATOM 68 CD ARG A 5 -2.022 -3.289 11.321 1.00 62.42 C ATOM 69 NE ARG A 5 -1.283 -4.518 11.600 1.00 64.42 N ATOM 70 CZ ARG A 5 -0.177 -4.561 12.334 1.00 2.34 C ATOM 71 NH1 ARG A 5 0.315 -3.449 12.861 1.00 53.03 N ATOM 72 NH2 ARG A 5 0.438 -5.718 12.543 1.00 41.21 N ATOM 0 H ARG A 5 -1.119 -1.526 6.765 1.00 34.34 H new ATOM 0 HA ARG A 5 0.860 -2.167 8.875 1.00 4.53 H new ATOM 0 HB2 ARG A 5 -2.013 -2.932 8.417 1.00 24.05 H new ATOM 0 HB3 ARG A 5 -0.950 -4.121 9.144 1.00 24.05 H new ATOM 0 HG2 ARG A 5 -0.303 -2.129 10.764 1.00 60.01 H new ATOM 0 HG3 ARG A 5 -1.827 -1.451 10.227 1.00 60.01 H new ATOM 0 HD2 ARG A 5 -2.198 -2.752 12.253 1.00 62.42 H new ATOM 0 HD3 ARG A 5 -2.999 -3.539 10.907 1.00 62.42 H new ATOM 0 HE ARG A 5 -1.636 -5.392 11.209 1.00 64.42 H new ATOM 0 HH11 ARG A 5 -0.156 -2.558 12.703 1.00 53.03 H new ATOM 0 HH12 ARG A 5 1.165 -3.484 13.424 1.00 53.03 H new ATOM 0 HH21 ARG A 5 0.061 -6.576 12.140 1.00 41.21 H new ATOM 0 HH22 ARG A 5 1.287 -5.750 13.107 1.00 41.21 H new ATOM 83 N TYR A 6 1.482 -4.442 7.859 1.00 24.13 N ATOM 84 CA TYR A 6 2.099 -5.526 7.105 1.00 61.34 C ATOM 85 C TYR A 6 2.171 -6.800 7.941 1.00 51.34 C ATOM 86 O TYR A 6 2.558 -6.769 9.110 1.00 73.51 O ATOM 87 CB TYR A 6 3.503 -5.122 6.648 1.00 45.33 C ATOM 88 CG TYR A 6 3.561 -3.754 6.008 1.00 22.41 C ATOM 89 CD1 TYR A 6 2.932 -3.506 4.794 1.00 12.32 C ATOM 90 CD2 TYR A 6 4.245 -2.709 6.616 1.00 14.52 C ATOM 91 CE1 TYR A 6 2.983 -2.258 4.205 1.00 62.43 C ATOM 92 CE2 TYR A 6 4.300 -1.457 6.035 1.00 3.21 C ATOM 93 CZ TYR A 6 3.668 -1.237 4.829 1.00 12.44 C ATOM 94 OH TYR A 6 3.720 0.009 4.246 1.00 51.21 O ATOM 0 H TYR A 6 1.744 -4.411 8.844 1.00 24.13 H new ATOM 0 HA TYR A 6 1.481 -5.723 6.229 1.00 61.34 H new ATOM 0 HB2 TYR A 6 4.175 -5.141 7.506 1.00 45.33 H new ATOM 0 HB3 TYR A 6 3.872 -5.862 5.938 1.00 45.33 H new ATOM 0 HD1 TYR A 6 2.394 -4.303 4.303 1.00 12.32 H new ATOM 0 HD2 TYR A 6 4.743 -2.878 7.559 1.00 14.52 H new ATOM 0 HE1 TYR A 6 2.489 -2.083 3.261 1.00 62.43 H new ATOM 0 HE2 TYR A 6 4.835 -0.655 6.522 1.00 3.21 H new ATOM 0 HH TYR A 6 4.200 0.627 4.836 1.00 51.21 H new ATOM 103 N TYR A 7 1.796 -7.920 7.334 1.00 64.24 N ATOM 104 CA TYR A 7 1.816 -9.206 8.022 1.00 33.32 C ATOM 105 C TYR A 7 3.153 -9.912 7.818 1.00 2.33 C ATOM 106 O TYR A 7 4.059 -9.377 7.180 1.00 65.14 O ATOM 107 CB TYR A 7 0.676 -10.094 7.520 1.00 34.42 C ATOM 108 CG TYR A 7 -0.526 -10.113 8.438 1.00 71.44 C ATOM 109 CD1 TYR A 7 -1.240 -8.952 8.705 1.00 12.11 C ATOM 110 CD2 TYR A 7 -0.947 -11.294 9.037 1.00 61.34 C ATOM 111 CE1 TYR A 7 -2.337 -8.965 9.543 1.00 3.20 C ATOM 112 CE2 TYR A 7 -2.045 -11.318 9.876 1.00 72.42 C ATOM 113 CZ TYR A 7 -2.736 -10.150 10.126 1.00 41.21 C ATOM 114 OH TYR A 7 -3.830 -10.169 10.962 1.00 74.33 O ATOM 0 H TYR A 7 1.474 -7.964 6.367 1.00 64.24 H new ATOM 0 HA TYR A 7 1.682 -9.022 9.088 1.00 33.32 H new ATOM 0 HB2 TYR A 7 0.364 -9.748 6.534 1.00 34.42 H new ATOM 0 HB3 TYR A 7 1.046 -11.112 7.399 1.00 34.42 H new ATOM 0 HD1 TYR A 7 -0.932 -8.023 8.249 1.00 12.11 H new ATOM 0 HD2 TYR A 7 -0.407 -12.209 8.844 1.00 61.34 H new ATOM 0 HE1 TYR A 7 -2.880 -8.053 9.741 1.00 3.20 H new ATOM 0 HE2 TYR A 7 -2.360 -12.245 10.333 1.00 72.42 H new ATOM 0 HH TYR A 7 -3.977 -11.082 11.288 1.00 74.33 H new ATOM 123 N ALA A 8 3.267 -11.117 8.365 1.00 41.51 N ATOM 124 CA ALA A 8 4.491 -11.899 8.243 1.00 41.11 C ATOM 125 C ALA A 8 4.942 -11.988 6.790 1.00 22.50 C ATOM 126 O ALA A 8 6.138 -12.061 6.502 1.00 34.22 O ATOM 127 CB ALA A 8 4.287 -13.293 8.821 1.00 74.22 C ATOM 0 H ALA A 8 2.526 -11.573 8.897 1.00 41.51 H new ATOM 0 HA ALA A 8 5.274 -11.394 8.809 1.00 41.11 H new ATOM 0 HB1 ALA A 8 5.209 -13.866 8.723 1.00 74.22 H new ATOM 0 HB2 ALA A 8 4.019 -13.214 9.875 1.00 74.22 H new ATOM 0 HB3 ALA A 8 3.487 -13.798 8.280 1.00 74.22 H new ATOM 133 N THR A 9 3.978 -11.983 5.874 1.00 24.30 N ATOM 134 CA THR A 9 4.276 -12.065 4.450 1.00 63.13 C ATOM 135 C THR A 9 5.148 -10.898 4.002 1.00 54.32 C ATOM 136 O THR A 9 6.104 -11.077 3.246 1.00 64.32 O ATOM 137 CB THR A 9 2.988 -12.081 3.606 1.00 22.41 C ATOM 138 OG1 THR A 9 2.186 -10.936 3.914 1.00 74.30 O ATOM 139 CG2 THR A 9 2.188 -13.350 3.862 1.00 52.53 C ATOM 0 H THR A 9 2.984 -11.923 6.094 1.00 24.30 H new ATOM 0 HA THR A 9 4.816 -12.999 4.294 1.00 63.13 H new ATOM 0 HB THR A 9 3.270 -12.054 2.553 1.00 22.41 H new ATOM 0 HG1 THR A 9 1.370 -10.953 3.372 1.00 74.30 H new ATOM 0 HG21 THR A 9 1.283 -13.338 3.255 1.00 52.53 H new ATOM 0 HG22 THR A 9 2.791 -14.219 3.599 1.00 52.53 H new ATOM 0 HG23 THR A 9 1.917 -13.403 4.916 1.00 52.53 H new ATOM 147 N LEU A 10 4.814 -9.702 4.473 1.00 54.42 N ATOM 148 CA LEU A 10 5.569 -8.503 4.123 1.00 23.45 C ATOM 149 C LEU A 10 6.387 -8.008 5.310 1.00 12.02 C ATOM 150 O LEU A 10 6.800 -6.848 5.353 1.00 24.44 O ATOM 151 CB LEU A 10 4.620 -7.400 3.647 1.00 45.40 C ATOM 152 CG LEU A 10 3.886 -7.668 2.332 1.00 54.24 C ATOM 153 CD1 LEU A 10 2.583 -6.887 2.281 1.00 31.22 C ATOM 154 CD2 LEU A 10 4.771 -7.311 1.146 1.00 41.23 C ATOM 0 H LEU A 10 4.025 -9.536 5.098 1.00 54.42 H new ATOM 0 HA LEU A 10 6.255 -8.758 3.315 1.00 23.45 H new ATOM 0 HB2 LEU A 10 3.877 -7.226 4.426 1.00 45.40 H new ATOM 0 HB3 LEU A 10 5.191 -6.478 3.540 1.00 45.40 H new ATOM 0 HG LEU A 10 3.651 -8.731 2.278 1.00 54.24 H new ATOM 0 HD11 LEU A 10 2.074 -7.090 1.339 1.00 31.22 H new ATOM 0 HD12 LEU A 10 1.944 -7.190 3.111 1.00 31.22 H new ATOM 0 HD13 LEU A 10 2.795 -5.820 2.357 1.00 31.22 H new ATOM 0 HD21 LEU A 10 4.233 -7.508 0.219 1.00 41.23 H new ATOM 0 HD22 LEU A 10 5.036 -6.255 1.195 1.00 41.23 H new ATOM 0 HD23 LEU A 10 5.678 -7.914 1.174 1.00 41.23 H new ATOM 165 N ARG A 11 6.621 -8.894 6.272 1.00 2.32 N ATOM 166 CA ARG A 11 7.392 -8.547 7.461 1.00 20.45 C ATOM 167 C ARG A 11 8.851 -8.281 7.103 1.00 55.11 C ATOM 168 O ARG A 11 9.389 -7.201 7.348 1.00 54.12 O ATOM 169 CB ARG A 11 7.306 -9.669 8.496 1.00 2.03 C ATOM 170 CG ARG A 11 8.557 -9.810 9.348 1.00 13.42 C ATOM 171 CD ARG A 11 8.311 -10.697 10.557 1.00 22.10 C ATOM 172 NE ARG A 11 7.644 -11.945 10.194 1.00 24.42 N ATOM 173 CZ ARG A 11 8.256 -12.956 9.588 1.00 24.44 C ATOM 174 NH1 ARG A 11 9.543 -12.867 9.280 1.00 4.00 N ATOM 175 NH2 ARG A 11 7.581 -14.059 9.289 1.00 53.11 N ATOM 0 H ARG A 11 6.288 -9.858 6.252 1.00 2.32 H new ATOM 0 HA ARG A 11 6.968 -7.637 7.886 1.00 20.45 H new ATOM 0 HB2 ARG A 11 6.452 -9.486 9.148 1.00 2.03 H new ATOM 0 HB3 ARG A 11 7.119 -10.612 7.982 1.00 2.03 H new ATOM 0 HG2 ARG A 11 9.363 -10.229 8.746 1.00 13.42 H new ATOM 0 HG3 ARG A 11 8.886 -8.825 9.679 1.00 13.42 H new ATOM 0 HD2 ARG A 11 9.261 -10.922 11.041 1.00 22.10 H new ATOM 0 HD3 ARG A 11 7.702 -10.159 11.284 1.00 22.10 H new ATOM 0 HE ARG A 11 6.654 -12.045 10.418 1.00 24.42 H new ATOM 0 HH11 ARG A 11 10.065 -12.021 9.509 1.00 4.00 H new ATOM 0 HH12 ARG A 11 10.011 -13.645 8.815 1.00 4.00 H new ATOM 0 HH21 ARG A 11 6.591 -14.131 9.525 1.00 53.11 H new ATOM 0 HH22 ARG A 11 8.052 -14.835 8.824 1.00 53.11 H new ATOM 186 N PRO A 12 9.509 -9.288 6.510 1.00 2.25 N ATOM 187 CA PRO A 12 10.914 -9.187 6.105 1.00 52.32 C ATOM 188 C PRO A 12 11.113 -8.236 4.931 1.00 22.45 C ATOM 189 O PRO A 12 12.244 -7.912 4.567 1.00 1.31 O ATOM 190 CB PRO A 12 11.270 -10.620 5.700 1.00 52.40 C ATOM 191 CG PRO A 12 9.972 -11.236 5.307 1.00 60.22 C ATOM 192 CD PRO A 12 8.930 -10.603 6.186 1.00 11.31 C ATOM 0 HA PRO A 12 11.540 -8.787 6.902 1.00 52.32 H new ATOM 0 HB2 PRO A 12 11.981 -10.633 4.874 1.00 52.40 H new ATOM 0 HB3 PRO A 12 11.731 -11.162 6.526 1.00 52.40 H new ATOM 0 HG2 PRO A 12 9.757 -11.054 4.254 1.00 60.22 H new ATOM 0 HG3 PRO A 12 9.995 -12.317 5.446 1.00 60.22 H new ATOM 0 HD2 PRO A 12 7.975 -10.505 5.670 1.00 11.31 H new ATOM 0 HD3 PRO A 12 8.749 -11.194 7.084 1.00 11.31 H new ATOM 197 N ILE A 13 10.008 -7.792 4.342 1.00 52.22 N ATOM 198 CA ILE A 13 10.061 -6.876 3.209 1.00 61.03 C ATOM 199 C ILE A 13 9.990 -5.425 3.672 1.00 72.32 C ATOM 200 O ILE A 13 10.553 -4.531 3.039 1.00 73.40 O ATOM 201 CB ILE A 13 8.916 -7.142 2.215 1.00 41.10 C ATOM 202 CG1 ILE A 13 8.757 -8.646 1.978 1.00 21.44 C ATOM 203 CG2 ILE A 13 9.176 -6.418 0.902 1.00 3.13 C ATOM 204 CD1 ILE A 13 7.651 -8.990 1.004 1.00 71.52 C ATOM 0 H ILE A 13 9.065 -8.052 4.631 1.00 52.22 H new ATOM 0 HA ILE A 13 11.013 -7.049 2.708 1.00 61.03 H new ATOM 0 HB ILE A 13 7.988 -6.760 2.641 1.00 41.10 H new ATOM 0 HG12 ILE A 13 9.698 -9.048 1.603 1.00 21.44 H new ATOM 0 HG13 ILE A 13 8.557 -9.137 2.931 1.00 21.44 H new ATOM 0 HG21 ILE A 13 8.358 -6.616 0.209 1.00 3.13 H new ATOM 0 HG22 ILE A 13 9.245 -5.346 1.085 1.00 3.13 H new ATOM 0 HG23 ILE A 13 10.111 -6.773 0.470 1.00 3.13 H new ATOM 0 HD11 ILE A 13 7.595 -10.072 0.884 1.00 71.52 H new ATOM 0 HD12 ILE A 13 6.701 -8.618 1.387 1.00 71.52 H new ATOM 0 HD13 ILE A 13 7.859 -8.528 0.039 1.00 71.52 H new ATOM 215 N THR A 14 9.297 -5.196 4.782 1.00 4.55 N ATOM 216 CA THR A 14 9.152 -3.854 5.331 1.00 40.25 C ATOM 217 C THR A 14 10.162 -3.604 6.445 1.00 43.21 C ATOM 218 O THR A 14 10.013 -2.671 7.236 1.00 21.15 O ATOM 219 CB THR A 14 7.731 -3.621 5.880 1.00 71.32 C ATOM 220 OG1 THR A 14 6.771 -4.271 5.040 1.00 10.53 O ATOM 221 CG2 THR A 14 7.420 -2.134 5.959 1.00 42.44 C ATOM 0 H THR A 14 8.826 -5.924 5.320 1.00 4.55 H new ATOM 0 HA THR A 14 9.336 -3.157 4.514 1.00 40.25 H new ATOM 0 HB THR A 14 7.678 -4.041 6.885 1.00 71.32 H new ATOM 0 HG1 THR A 14 6.801 -5.238 5.196 1.00 10.53 H new ATOM 0 HG21 THR A 14 6.412 -1.993 6.349 1.00 42.44 H new ATOM 0 HG22 THR A 14 8.136 -1.647 6.621 1.00 42.44 H new ATOM 0 HG23 THR A 14 7.488 -1.695 4.964 1.00 42.44 H new ATOM 229 N LYS A 15 11.191 -4.441 6.504 1.00 64.04 N ATOM 230 CA LYS A 15 12.229 -4.311 7.520 1.00 23.03 C ATOM 231 C LYS A 15 11.647 -4.502 8.918 1.00 61.43 C ATOM 232 O LYS A 15 12.212 -4.032 9.905 1.00 73.05 O ATOM 233 CB LYS A 15 12.901 -2.941 7.419 1.00 34.33 C ATOM 234 CG LYS A 15 14.321 -2.918 7.957 1.00 13.21 C ATOM 235 CD LYS A 15 14.870 -1.503 8.024 1.00 61.13 C ATOM 236 CE LYS A 15 15.189 -0.963 6.638 1.00 41.11 C ATOM 237 NZ LYS A 15 16.528 -1.410 6.164 1.00 22.45 N ATOM 0 H LYS A 15 11.329 -5.219 5.859 1.00 64.04 H new ATOM 0 HA LYS A 15 12.974 -5.088 7.345 1.00 23.03 H new ATOM 0 HB2 LYS A 15 12.912 -2.627 6.375 1.00 34.33 H new ATOM 0 HB3 LYS A 15 12.303 -2.211 7.965 1.00 34.33 H new ATOM 0 HG2 LYS A 15 14.341 -3.364 8.951 1.00 13.21 H new ATOM 0 HG3 LYS A 15 14.962 -3.528 7.320 1.00 13.21 H new ATOM 0 HD2 LYS A 15 14.144 -0.852 8.511 1.00 61.13 H new ATOM 0 HD3 LYS A 15 15.771 -1.490 8.637 1.00 61.13 H new ATOM 0 HE2 LYS A 15 14.425 -1.294 5.934 1.00 41.11 H new ATOM 0 HE3 LYS A 15 15.155 0.126 6.656 1.00 41.11 H new ATOM 0 HZ1 LYS A 15 16.708 -1.021 5.216 1.00 22.45 H new ATOM 0 HZ2 LYS A 15 17.260 -1.072 6.822 1.00 22.45 H new ATOM 0 HZ3 LYS A 15 16.553 -2.449 6.123 1.00 22.45 H new ATOM 247 N LYS A 16 10.518 -5.197 8.994 1.00 21.12 N ATOM 248 CA LYS A 16 9.862 -5.454 10.270 1.00 34.13 C ATOM 249 C LYS A 16 9.646 -4.156 11.041 1.00 12.34 C ATOM 250 O LYS A 16 10.296 -3.909 12.058 1.00 5.44 O ATOM 251 CB LYS A 16 10.694 -6.426 11.110 1.00 34.22 C ATOM 252 CG LYS A 16 11.250 -7.594 10.314 1.00 72.41 C ATOM 253 CD LYS A 16 11.410 -8.832 11.180 1.00 4.52 C ATOM 254 CE LYS A 16 12.412 -9.806 10.580 1.00 64.51 C ATOM 255 NZ LYS A 16 12.328 -11.151 11.216 1.00 73.21 N ATOM 0 H LYS A 16 10.038 -5.593 8.186 1.00 21.12 H new ATOM 0 HA LYS A 16 8.889 -5.902 10.066 1.00 34.13 H new ATOM 0 HB2 LYS A 16 11.521 -5.882 11.567 1.00 34.22 H new ATOM 0 HB3 LYS A 16 10.077 -6.811 11.922 1.00 34.22 H new ATOM 0 HG2 LYS A 16 10.585 -7.816 9.479 1.00 72.41 H new ATOM 0 HG3 LYS A 16 12.215 -7.319 9.888 1.00 72.41 H new ATOM 0 HD2 LYS A 16 11.738 -8.540 12.178 1.00 4.52 H new ATOM 0 HD3 LYS A 16 10.445 -9.325 11.293 1.00 4.52 H new ATOM 0 HE2 LYS A 16 12.232 -9.899 9.509 1.00 64.51 H new ATOM 0 HE3 LYS A 16 13.420 -9.410 10.700 1.00 64.51 H new ATOM 0 HZ1 LYS A 16 13.027 -11.786 10.779 1.00 73.21 H new ATOM 0 HZ2 LYS A 16 12.525 -11.067 12.234 1.00 73.21 H new ATOM 0 HZ3 LYS A 16 11.373 -11.541 11.079 1.00 73.21 H new ATOM 265 N LYS A 17 8.728 -3.329 10.553 1.00 11.44 N ATOM 266 CA LYS A 17 8.423 -2.057 11.197 1.00 13.52 C ATOM 267 C LYS A 17 7.273 -1.349 10.487 1.00 34.31 C ATOM 268 O LYS A 17 7.134 -1.441 9.268 1.00 42.34 O ATOM 269 CB LYS A 17 9.661 -1.157 11.208 1.00 64.13 C ATOM 270 CG LYS A 17 9.706 -0.198 12.385 1.00 64.11 C ATOM 271 CD LYS A 17 11.124 0.272 12.667 1.00 42.53 C ATOM 272 CE LYS A 17 11.547 1.374 11.709 1.00 32.33 C ATOM 273 NZ LYS A 17 11.981 0.828 10.393 1.00 22.34 N ATOM 0 H LYS A 17 8.182 -3.517 9.713 1.00 11.44 H new ATOM 0 HA LYS A 17 8.121 -2.262 12.224 1.00 13.52 H new ATOM 0 HB2 LYS A 17 10.554 -1.782 11.225 1.00 64.13 H new ATOM 0 HB3 LYS A 17 9.691 -0.583 10.282 1.00 64.13 H new ATOM 0 HG2 LYS A 17 9.070 0.663 12.178 1.00 64.11 H new ATOM 0 HG3 LYS A 17 9.301 -0.688 13.271 1.00 64.11 H new ATOM 0 HD2 LYS A 17 11.191 0.635 13.693 1.00 42.53 H new ATOM 0 HD3 LYS A 17 11.811 -0.570 12.581 1.00 42.53 H new ATOM 0 HE2 LYS A 17 10.717 2.064 11.560 1.00 32.33 H new ATOM 0 HE3 LYS A 17 12.362 1.947 12.151 1.00 32.33 H new ATOM 0 HZ1 LYS A 17 12.790 1.377 10.039 1.00 22.34 H new ATOM 0 HZ2 LYS A 17 12.261 -0.167 10.505 1.00 22.34 H new ATOM 0 HZ3 LYS A 17 11.196 0.893 9.714 1.00 22.34 H new ATOM 283 N GLU A 18 6.453 -0.640 11.258 1.00 71.52 N ATOM 284 CA GLU A 18 5.317 0.084 10.701 1.00 40.03 C ATOM 285 C GLU A 18 5.288 1.523 11.207 1.00 2.03 C ATOM 286 O GLU A 18 5.627 1.794 12.358 1.00 44.51 O ATOM 287 CB GLU A 18 4.008 -0.622 11.061 1.00 54.12 C ATOM 288 CG GLU A 18 2.767 0.193 10.735 1.00 61.53 C ATOM 289 CD GLU A 18 2.358 1.111 11.870 1.00 61.31 C ATOM 290 OE1 GLU A 18 2.521 0.716 13.042 1.00 3.45 O ATOM 291 OE2 GLU A 18 1.874 2.227 11.583 1.00 52.25 O ATOM 0 H GLU A 18 6.555 -0.552 12.269 1.00 71.52 H new ATOM 0 HA GLU A 18 5.426 0.101 9.617 1.00 40.03 H new ATOM 0 HB2 GLU A 18 3.959 -1.572 10.528 1.00 54.12 H new ATOM 0 HB3 GLU A 18 4.011 -0.854 12.126 1.00 54.12 H new ATOM 0 HG2 GLU A 18 2.952 0.788 9.840 1.00 61.53 H new ATOM 0 HG3 GLU A 18 1.943 -0.483 10.504 1.00 61.53 H new ATOM 296 N GLU A 19 4.881 2.442 10.337 1.00 63.44 N ATOM 297 CA GLU A 19 4.809 3.854 10.694 1.00 62.15 C ATOM 298 C GLU A 19 3.810 4.590 9.806 1.00 55.44 C ATOM 299 O GLU A 19 3.422 4.098 8.747 1.00 70.24 O ATOM 300 CB GLU A 19 6.190 4.503 10.576 1.00 12.12 C ATOM 301 CG GLU A 19 7.021 4.403 11.844 1.00 62.24 C ATOM 302 CD GLU A 19 8.102 5.464 11.918 1.00 12.51 C ATOM 303 OE1 GLU A 19 8.846 5.623 10.929 1.00 63.22 O ATOM 304 OE2 GLU A 19 8.203 6.135 12.967 1.00 43.41 O ATOM 0 H GLU A 19 4.596 2.234 9.380 1.00 63.44 H new ATOM 0 HA GLU A 19 4.469 3.925 11.727 1.00 62.15 H new ATOM 0 HB2 GLU A 19 6.734 4.032 9.757 1.00 12.12 H new ATOM 0 HB3 GLU A 19 6.067 5.554 10.315 1.00 12.12 H new ATOM 0 HG2 GLU A 19 6.367 4.495 12.711 1.00 62.24 H new ATOM 0 HG3 GLU A 19 7.481 3.416 11.895 1.00 62.24 H new ATOM 309 N THR A 20 3.396 5.774 10.248 1.00 11.24 N ATOM 310 CA THR A 20 2.441 6.579 9.495 1.00 45.43 C ATOM 311 C THR A 20 3.144 7.691 8.729 1.00 34.23 C ATOM 312 O THR A 20 4.316 7.983 8.971 1.00 1.22 O ATOM 313 CB THR A 20 1.379 7.200 10.421 1.00 0.21 C ATOM 314 OG1 THR A 20 2.000 7.719 11.601 1.00 15.40 O ATOM 315 CG2 THR A 20 0.328 6.169 10.807 1.00 41.45 C ATOM 0 H THR A 20 3.707 6.196 11.123 1.00 11.24 H new ATOM 0 HA THR A 20 1.950 5.910 8.788 1.00 45.43 H new ATOM 0 HB THR A 20 0.890 8.011 9.882 1.00 0.21 H new ATOM 0 HG1 THR A 20 1.501 8.501 11.916 1.00 15.40 H new ATOM 0 HG21 THR A 20 -0.412 6.631 11.461 1.00 41.45 H new ATOM 0 HG22 THR A 20 -0.164 5.797 9.908 1.00 41.45 H new ATOM 0 HG23 THR A 20 0.806 5.340 11.328 1.00 41.45 H new ATOM 323 N PHE A 21 2.422 8.313 7.801 1.00 45.03 N ATOM 324 CA PHE A 21 2.978 9.396 6.998 1.00 5.10 C ATOM 325 C PHE A 21 1.926 10.467 6.728 1.00 25.31 C ATOM 326 O PHE A 21 0.750 10.162 6.530 1.00 51.52 O ATOM 327 CB PHE A 21 3.519 8.850 5.675 1.00 71.40 C ATOM 328 CG PHE A 21 4.548 7.770 5.847 1.00 71.42 C ATOM 329 CD1 PHE A 21 5.788 8.058 6.396 1.00 63.13 C ATOM 330 CD2 PHE A 21 4.277 6.468 5.461 1.00 1.54 C ATOM 331 CE1 PHE A 21 6.737 7.065 6.556 1.00 31.21 C ATOM 332 CE2 PHE A 21 5.222 5.472 5.617 1.00 41.40 C ATOM 333 CZ PHE A 21 6.453 5.770 6.167 1.00 15.11 C ATOM 0 H PHE A 21 1.451 8.085 7.587 1.00 45.03 H new ATOM 0 HA PHE A 21 3.796 9.849 7.558 1.00 5.10 H new ATOM 0 HB2 PHE A 21 2.689 8.459 5.086 1.00 71.40 H new ATOM 0 HB3 PHE A 21 3.956 9.670 5.105 1.00 71.40 H new ATOM 0 HD1 PHE A 21 6.015 9.069 6.702 1.00 63.13 H new ATOM 0 HD2 PHE A 21 3.315 6.228 5.033 1.00 1.54 H new ATOM 0 HE1 PHE A 21 7.700 7.302 6.985 1.00 31.21 H new ATOM 0 HE2 PHE A 21 4.998 4.461 5.309 1.00 41.40 H new ATOM 0 HZ PHE A 21 7.192 4.993 6.293 1.00 15.11 H new ATOM 342 N ASN A 22 2.358 11.723 6.720 1.00 74.14 N ATOM 343 CA ASN A 22 1.454 12.841 6.476 1.00 72.12 C ATOM 344 C ASN A 22 1.708 13.456 5.102 1.00 50.32 C ATOM 345 O ASN A 22 2.756 13.236 4.497 1.00 33.13 O ATOM 346 CB ASN A 22 1.620 13.906 7.562 1.00 31.00 C ATOM 347 CG ASN A 22 2.821 14.800 7.316 1.00 5.51 C ATOM 348 OD1 ASN A 22 2.768 15.718 6.497 1.00 42.04 O ATOM 349 ND2 ASN A 22 3.911 14.534 8.026 1.00 1.10 N ATOM 0 H ASN A 22 3.329 11.993 6.880 1.00 74.14 H new ATOM 0 HA ASN A 22 0.432 12.462 6.502 1.00 72.12 H new ATOM 0 HB2 ASN A 22 0.719 14.517 7.608 1.00 31.00 H new ATOM 0 HB3 ASN A 22 1.725 13.419 8.532 1.00 31.00 H new ATOM 0 HD21 ASN A 22 4.750 15.101 7.904 1.00 1.10 H new ATOM 0 HD22 ASN A 22 3.909 13.763 8.694 1.00 1.10 H new ATOM 355 N GLY A 23 0.739 14.227 4.617 1.00 64.23 N ATOM 356 CA GLY A 23 0.877 14.861 3.319 1.00 70.14 C ATOM 357 C GLY A 23 0.004 14.215 2.261 1.00 50.54 C ATOM 358 O GLY A 23 -1.052 14.741 1.912 1.00 0.12 O ATOM 0 H GLY A 23 -0.138 14.424 5.099 1.00 64.23 H new ATOM 0 HA2 GLY A 23 0.618 15.916 3.404 1.00 70.14 H new ATOM 0 HA3 GLY A 23 1.919 14.813 3.004 1.00 70.14 H new ATOM 362 N ILE A 24 0.447 13.071 1.750 1.00 2.51 N ATOM 363 CA ILE A 24 -0.301 12.352 0.726 1.00 12.22 C ATOM 364 C ILE A 24 -1.628 11.837 1.275 1.00 70.13 C ATOM 365 O ILE A 24 -1.671 11.201 2.327 1.00 72.15 O ATOM 366 CB ILE A 24 0.506 11.166 0.166 1.00 53.55 C ATOM 367 CG1 ILE A 24 1.731 11.670 -0.600 1.00 12.44 C ATOM 368 CG2 ILE A 24 -0.370 10.305 -0.730 1.00 43.42 C ATOM 369 CD1 ILE A 24 1.382 12.538 -1.789 1.00 74.54 C ATOM 0 H ILE A 24 1.320 12.622 2.028 1.00 2.51 H new ATOM 0 HA ILE A 24 -0.494 13.061 -0.080 1.00 12.22 H new ATOM 0 HB ILE A 24 0.850 10.554 1.000 1.00 53.55 H new ATOM 0 HG12 ILE A 24 2.367 12.237 0.080 1.00 12.44 H new ATOM 0 HG13 ILE A 24 2.313 10.815 -0.943 1.00 12.44 H new ATOM 0 HG21 ILE A 24 0.215 9.471 -1.118 1.00 43.42 H new ATOM 0 HG22 ILE A 24 -1.212 9.921 -0.155 1.00 43.42 H new ATOM 0 HG23 ILE A 24 -0.742 10.905 -1.561 1.00 43.42 H new ATOM 0 HD11 ILE A 24 2.297 12.860 -2.286 1.00 74.54 H new ATOM 0 HD12 ILE A 24 0.771 11.968 -2.489 1.00 74.54 H new ATOM 0 HD13 ILE A 24 0.826 13.412 -1.451 1.00 74.54 H new ATOM 380 N SER A 25 -2.708 12.115 0.552 1.00 1.30 N ATOM 381 CA SER A 25 -4.037 11.680 0.967 1.00 53.52 C ATOM 382 C SER A 25 -4.716 10.880 -0.139 1.00 3.45 C ATOM 383 O SER A 25 -5.922 11.004 -0.361 1.00 51.05 O ATOM 384 CB SER A 25 -4.898 12.889 1.341 1.00 21.11 C ATOM 385 OG SER A 25 -4.649 13.980 0.471 1.00 12.34 O ATOM 0 H SER A 25 -2.689 12.639 -0.323 1.00 1.30 H new ATOM 0 HA SER A 25 -3.927 11.037 1.840 1.00 53.52 H new ATOM 0 HB2 SER A 25 -5.952 12.617 1.296 1.00 21.11 H new ATOM 0 HB3 SER A 25 -4.689 13.184 2.369 1.00 21.11 H new ATOM 0 HG SER A 25 -5.212 14.739 0.729 1.00 12.34 H new ATOM 390 N LYS A 26 -3.936 10.057 -0.830 1.00 61.43 N ATOM 391 CA LYS A 26 -4.460 9.233 -1.913 1.00 31.23 C ATOM 392 C LYS A 26 -3.653 7.947 -2.058 1.00 23.20 C ATOM 393 O LYS A 26 -2.470 7.904 -1.718 1.00 22.04 O ATOM 394 CB LYS A 26 -4.439 10.012 -3.230 1.00 12.12 C ATOM 395 CG LYS A 26 -5.618 10.955 -3.397 1.00 24.40 C ATOM 396 CD LYS A 26 -5.895 11.246 -4.863 1.00 0.44 C ATOM 397 CE LYS A 26 -6.109 12.732 -5.106 1.00 63.01 C ATOM 398 NZ LYS A 26 -7.546 13.110 -5.001 1.00 40.42 N ATOM 0 H LYS A 26 -2.937 9.942 -0.659 1.00 61.43 H new ATOM 0 HA LYS A 26 -5.489 8.970 -1.670 1.00 31.23 H new ATOM 0 HB2 LYS A 26 -3.514 10.586 -3.288 1.00 12.12 H new ATOM 0 HB3 LYS A 26 -4.429 9.306 -4.060 1.00 12.12 H new ATOM 0 HG2 LYS A 26 -6.504 10.516 -2.938 1.00 24.40 H new ATOM 0 HG3 LYS A 26 -5.416 11.888 -2.871 1.00 24.40 H new ATOM 0 HD2 LYS A 26 -5.060 10.894 -5.469 1.00 0.44 H new ATOM 0 HD3 LYS A 26 -6.778 10.693 -5.184 1.00 0.44 H new ATOM 0 HE2 LYS A 26 -5.529 13.305 -4.383 1.00 63.01 H new ATOM 0 HE3 LYS A 26 -5.735 12.996 -6.095 1.00 63.01 H new ATOM 0 HZ1 LYS A 26 -7.650 14.130 -5.173 1.00 40.42 H new ATOM 0 HZ2 LYS A 26 -8.096 12.582 -5.708 1.00 40.42 H new ATOM 0 HZ3 LYS A 26 -7.896 12.882 -4.049 1.00 40.42 H new ATOM 408 N ILE A 27 -4.299 6.902 -2.565 1.00 33.31 N ATOM 409 CA ILE A 27 -3.639 5.617 -2.757 1.00 63.21 C ATOM 410 C ILE A 27 -2.648 5.675 -3.914 1.00 73.33 C ATOM 411 O ILE A 27 -1.687 4.906 -3.962 1.00 50.52 O ATOM 412 CB ILE A 27 -4.660 4.495 -3.027 1.00 51.34 C ATOM 413 CG1 ILE A 27 -5.567 4.300 -1.811 1.00 45.40 C ATOM 414 CG2 ILE A 27 -3.942 3.199 -3.374 1.00 2.42 C ATOM 415 CD1 ILE A 27 -4.847 3.750 -0.600 1.00 72.04 C ATOM 0 H ILE A 27 -5.278 6.920 -2.850 1.00 33.31 H new ATOM 0 HA ILE A 27 -3.103 5.396 -1.834 1.00 63.21 H new ATOM 0 HB ILE A 27 -5.280 4.782 -3.876 1.00 51.34 H new ATOM 0 HG12 ILE A 27 -6.021 5.256 -1.550 1.00 45.40 H new ATOM 0 HG13 ILE A 27 -6.379 3.624 -2.079 1.00 45.40 H new ATOM 0 HG21 ILE A 27 -4.676 2.415 -3.562 1.00 2.42 H new ATOM 0 HG22 ILE A 27 -3.333 3.348 -4.266 1.00 2.42 H new ATOM 0 HG23 ILE A 27 -3.302 2.904 -2.543 1.00 2.42 H new ATOM 0 HD11 ILE A 27 -5.553 3.638 0.223 1.00 72.04 H new ATOM 0 HD12 ILE A 27 -4.416 2.779 -0.843 1.00 72.04 H new ATOM 0 HD13 ILE A 27 -4.053 4.436 -0.306 1.00 72.04 H new ATOM 426 N SER A 28 -2.886 6.593 -4.845 1.00 74.15 N ATOM 427 CA SER A 28 -2.014 6.752 -6.003 1.00 5.23 C ATOM 428 C SER A 28 -0.599 7.125 -5.573 1.00 41.43 C ATOM 429 O SER A 28 0.370 6.471 -5.956 1.00 54.45 O ATOM 430 CB SER A 28 -2.572 7.820 -6.945 1.00 35.22 C ATOM 431 OG SER A 28 -2.368 7.462 -8.301 1.00 23.43 O ATOM 0 H SER A 28 -3.676 7.238 -4.820 1.00 74.15 H new ATOM 0 HA SER A 28 -1.974 5.798 -6.529 1.00 5.23 H new ATOM 0 HB2 SER A 28 -3.637 7.954 -6.757 1.00 35.22 H new ATOM 0 HB3 SER A 28 -2.090 8.776 -6.742 1.00 35.22 H new ATOM 0 HG SER A 28 -2.735 8.160 -8.882 1.00 23.43 H new ATOM 436 N GLU A 29 -0.491 8.182 -4.773 1.00 53.25 N ATOM 437 CA GLU A 29 0.805 8.644 -4.290 1.00 1.31 C ATOM 438 C GLU A 29 1.344 7.715 -3.206 1.00 55.41 C ATOM 439 O GLU A 29 2.555 7.547 -3.062 1.00 51.54 O ATOM 440 CB GLU A 29 0.693 10.070 -3.748 1.00 51.25 C ATOM 441 CG GLU A 29 0.915 11.142 -4.802 1.00 64.11 C ATOM 442 CD GLU A 29 0.022 12.350 -4.601 1.00 74.12 C ATOM 443 OE1 GLU A 29 -1.141 12.167 -4.187 1.00 45.00 O ATOM 444 OE2 GLU A 29 0.487 13.481 -4.858 1.00 72.42 O ATOM 0 H GLU A 29 -1.284 8.733 -4.446 1.00 53.25 H new ATOM 0 HA GLU A 29 1.501 8.636 -5.129 1.00 1.31 H new ATOM 0 HB2 GLU A 29 -0.295 10.205 -3.307 1.00 51.25 H new ATOM 0 HB3 GLU A 29 1.421 10.203 -2.948 1.00 51.25 H new ATOM 0 HG2 GLU A 29 1.958 11.458 -4.780 1.00 64.11 H new ATOM 0 HG3 GLU A 29 0.731 10.719 -5.790 1.00 64.11 H new ATOM 449 N LEU A 30 0.435 7.117 -2.443 1.00 41.32 N ATOM 450 CA LEU A 30 0.818 6.206 -1.370 1.00 21.13 C ATOM 451 C LEU A 30 1.456 4.939 -1.932 1.00 73.25 C ATOM 452 O LEU A 30 2.548 4.546 -1.519 1.00 61.52 O ATOM 453 CB LEU A 30 -0.403 5.842 -0.524 1.00 4.41 C ATOM 454 CG LEU A 30 -0.112 5.305 0.878 1.00 1.43 C ATOM 455 CD1 LEU A 30 -1.400 5.174 1.677 1.00 41.31 C ATOM 456 CD2 LEU A 30 0.606 3.966 0.798 1.00 53.43 C ATOM 0 H LEU A 30 -0.571 7.247 -2.547 1.00 41.32 H new ATOM 0 HA LEU A 30 1.551 6.712 -0.742 1.00 21.13 H new ATOM 0 HB2 LEU A 30 -1.031 6.728 -0.429 1.00 4.41 H new ATOM 0 HB3 LEU A 30 -0.985 5.095 -1.064 1.00 4.41 H new ATOM 0 HG LEU A 30 0.539 6.014 1.390 1.00 1.43 H new ATOM 0 HD11 LEU A 30 -1.174 4.791 2.672 1.00 41.31 H new ATOM 0 HD12 LEU A 30 -1.875 6.151 1.764 1.00 41.31 H new ATOM 0 HD13 LEU A 30 -2.075 4.486 1.168 1.00 41.31 H new ATOM 0 HD21 LEU A 30 0.805 3.599 1.805 1.00 53.43 H new ATOM 0 HD22 LEU A 30 -0.020 3.249 0.267 1.00 53.43 H new ATOM 0 HD23 LEU A 30 1.548 4.090 0.264 1.00 53.43 H new ATOM 467 N LEU A 31 0.770 4.306 -2.877 1.00 11.01 N ATOM 468 CA LEU A 31 1.271 3.085 -3.498 1.00 73.12 C ATOM 469 C LEU A 31 2.502 3.374 -4.352 1.00 55.54 C ATOM 470 O LEU A 31 3.446 2.586 -4.383 1.00 62.30 O ATOM 471 CB LEU A 31 0.181 2.442 -4.357 1.00 73.12 C ATOM 472 CG LEU A 31 -0.811 1.541 -3.618 1.00 72.45 C ATOM 473 CD1 LEU A 31 -1.859 1.003 -4.578 1.00 31.23 C ATOM 474 CD2 LEU A 31 -0.080 0.398 -2.928 1.00 60.51 C ATOM 0 H LEU A 31 -0.135 4.618 -3.230 1.00 11.01 H new ATOM 0 HA LEU A 31 1.555 2.394 -2.705 1.00 73.12 H new ATOM 0 HB2 LEU A 31 -0.379 3.235 -4.852 1.00 73.12 H new ATOM 0 HB3 LEU A 31 0.662 1.855 -5.139 1.00 73.12 H new ATOM 0 HG LEU A 31 -1.316 2.135 -2.857 1.00 72.45 H new ATOM 0 HD11 LEU A 31 -2.556 0.364 -4.035 1.00 31.23 H new ATOM 0 HD12 LEU A 31 -2.403 1.835 -5.026 1.00 31.23 H new ATOM 0 HD13 LEU A 31 -1.371 0.424 -5.362 1.00 31.23 H new ATOM 0 HD21 LEU A 31 -0.800 -0.233 -2.407 1.00 60.51 H new ATOM 0 HD22 LEU A 31 0.451 -0.196 -3.672 1.00 60.51 H new ATOM 0 HD23 LEU A 31 0.633 0.803 -2.210 1.00 60.51 H new ATOM 485 N GLU A 32 2.484 4.512 -5.041 1.00 45.35 N ATOM 486 CA GLU A 32 3.601 4.904 -5.893 1.00 11.14 C ATOM 487 C GLU A 32 4.885 5.041 -5.080 1.00 14.05 C ATOM 488 O GLU A 32 5.944 4.563 -5.487 1.00 24.03 O ATOM 489 CB GLU A 32 3.289 6.223 -6.603 1.00 74.14 C ATOM 490 CG GLU A 32 4.399 6.693 -7.529 1.00 13.45 C ATOM 491 CD GLU A 32 3.993 7.892 -8.364 1.00 12.41 C ATOM 492 OE1 GLU A 32 2.886 8.425 -8.139 1.00 72.00 O ATOM 493 OE2 GLU A 32 4.783 8.299 -9.241 1.00 65.54 O ATOM 0 H GLU A 32 1.710 5.177 -5.026 1.00 45.35 H new ATOM 0 HA GLU A 32 3.748 4.123 -6.639 1.00 11.14 H new ATOM 0 HB2 GLU A 32 2.371 6.107 -7.179 1.00 74.14 H new ATOM 0 HB3 GLU A 32 3.101 6.993 -5.855 1.00 74.14 H new ATOM 0 HG2 GLU A 32 5.278 6.948 -6.937 1.00 13.45 H new ATOM 0 HG3 GLU A 32 4.687 5.875 -8.190 1.00 13.45 H new ATOM 498 N ARG A 33 4.781 5.698 -3.930 1.00 53.42 N ATOM 499 CA ARG A 33 5.935 5.900 -3.060 1.00 2.44 C ATOM 500 C ARG A 33 6.228 4.643 -2.245 1.00 33.24 C ATOM 501 O ARG A 33 7.380 4.360 -1.914 1.00 10.10 O ATOM 502 CB ARG A 33 5.690 7.084 -2.121 1.00 61.53 C ATOM 503 CG ARG A 33 6.888 7.428 -1.251 1.00 32.43 C ATOM 504 CD ARG A 33 7.877 8.315 -1.992 1.00 43.51 C ATOM 505 NE ARG A 33 7.329 9.641 -2.261 1.00 44.44 N ATOM 506 CZ ARG A 33 7.988 10.590 -2.915 1.00 43.41 C ATOM 507 NH1 ARG A 33 9.214 10.360 -3.365 1.00 12.43 N ATOM 508 NH2 ARG A 33 7.421 11.772 -3.121 1.00 42.22 N ATOM 0 H ARG A 33 3.912 6.099 -3.579 1.00 53.42 H new ATOM 0 HA ARG A 33 6.800 6.115 -3.688 1.00 2.44 H new ATOM 0 HB2 ARG A 33 5.419 7.958 -2.714 1.00 61.53 H new ATOM 0 HB3 ARG A 33 4.838 6.858 -1.479 1.00 61.53 H new ATOM 0 HG2 ARG A 33 6.549 7.934 -0.347 1.00 32.43 H new ATOM 0 HG3 ARG A 33 7.385 6.511 -0.935 1.00 32.43 H new ATOM 0 HD2 ARG A 33 8.789 8.412 -1.402 1.00 43.51 H new ATOM 0 HD3 ARG A 33 8.155 7.840 -2.933 1.00 43.51 H new ATOM 0 HE ARG A 33 6.388 9.850 -1.928 1.00 44.44 H new ATOM 0 HH11 ARG A 33 9.653 9.452 -3.209 1.00 12.43 H new ATOM 0 HH12 ARG A 33 9.718 11.091 -3.867 1.00 12.43 H new ATOM 0 HH21 ARG A 33 6.478 11.952 -2.777 1.00 42.22 H new ATOM 0 HH22 ARG A 33 7.928 12.500 -3.624 1.00 42.22 H new ATOM 519 N LEU A 34 5.179 3.893 -1.925 1.00 31.34 N ATOM 520 CA LEU A 34 5.324 2.667 -1.149 1.00 0.00 C ATOM 521 C LEU A 34 6.053 1.596 -1.954 1.00 70.33 C ATOM 522 O LEU A 34 7.036 1.018 -1.491 1.00 43.12 O ATOM 523 CB LEU A 34 3.951 2.149 -0.717 1.00 41.31 C ATOM 524 CG LEU A 34 3.933 0.776 -0.043 1.00 33.41 C ATOM 525 CD1 LEU A 34 3.487 0.898 1.405 1.00 55.44 C ATOM 526 CD2 LEU A 34 3.025 -0.179 -0.804 1.00 12.31 C ATOM 0 H LEU A 34 4.219 4.113 -2.191 1.00 31.34 H new ATOM 0 HA LEU A 34 5.916 2.895 -0.262 1.00 0.00 H new ATOM 0 HB2 LEU A 34 3.511 2.874 -0.032 1.00 41.31 H new ATOM 0 HB3 LEU A 34 3.307 2.109 -1.596 1.00 41.31 H new ATOM 0 HG LEU A 34 4.945 0.372 -0.057 1.00 33.41 H new ATOM 0 HD11 LEU A 34 3.480 -0.089 1.868 1.00 55.44 H new ATOM 0 HD12 LEU A 34 4.176 1.547 1.945 1.00 55.44 H new ATOM 0 HD13 LEU A 34 2.484 1.323 1.442 1.00 55.44 H new ATOM 0 HD21 LEU A 34 3.024 -1.151 -0.311 1.00 12.31 H new ATOM 0 HD22 LEU A 34 2.011 0.220 -0.822 1.00 12.31 H new ATOM 0 HD23 LEU A 34 3.389 -0.291 -1.825 1.00 12.31 H new ATOM 537 N LYS A 35 5.566 1.338 -3.164 1.00 40.24 N ATOM 538 CA LYS A 35 6.173 0.340 -4.036 1.00 72.21 C ATOM 539 C LYS A 35 7.655 0.632 -4.249 1.00 70.00 C ATOM 540 O LYS A 35 8.478 -0.282 -4.297 1.00 44.23 O ATOM 541 CB LYS A 35 5.450 0.304 -5.384 1.00 52.04 C ATOM 542 CG LYS A 35 5.871 1.416 -6.330 1.00 34.01 C ATOM 543 CD LYS A 35 4.841 1.636 -7.425 1.00 2.11 C ATOM 544 CE LYS A 35 5.188 0.855 -8.683 1.00 51.25 C ATOM 545 NZ LYS A 35 3.974 0.491 -9.464 1.00 30.02 N ATOM 0 H LYS A 35 4.752 1.807 -3.562 1.00 40.24 H new ATOM 0 HA LYS A 35 6.079 -0.633 -3.554 1.00 72.21 H new ATOM 0 HB2 LYS A 35 5.637 -0.658 -5.861 1.00 52.04 H new ATOM 0 HB3 LYS A 35 4.376 0.372 -5.213 1.00 52.04 H new ATOM 0 HG2 LYS A 35 6.009 2.340 -5.768 1.00 34.01 H new ATOM 0 HG3 LYS A 35 6.833 1.169 -6.779 1.00 34.01 H new ATOM 0 HD2 LYS A 35 3.857 1.332 -7.067 1.00 2.11 H new ATOM 0 HD3 LYS A 35 4.780 2.699 -7.660 1.00 2.11 H new ATOM 0 HE2 LYS A 35 5.856 1.449 -9.306 1.00 51.25 H new ATOM 0 HE3 LYS A 35 5.729 -0.051 -8.410 1.00 51.25 H new ATOM 0 HZ1 LYS A 35 4.254 -0.040 -10.313 1.00 30.02 H new ATOM 0 HZ2 LYS A 35 3.348 -0.098 -8.878 1.00 30.02 H new ATOM 0 HZ3 LYS A 35 3.471 1.356 -9.747 1.00 30.02 H new ATOM 555 N VAL A 36 7.988 1.913 -4.377 1.00 40.14 N ATOM 556 CA VAL A 36 9.372 2.326 -4.582 1.00 44.10 C ATOM 557 C VAL A 36 10.163 2.264 -3.280 1.00 61.44 C ATOM 558 O VAL A 36 11.345 1.921 -3.277 1.00 24.31 O ATOM 559 CB VAL A 36 9.452 3.754 -5.152 1.00 53.45 C ATOM 560 CG1 VAL A 36 10.768 4.411 -4.762 1.00 20.05 C ATOM 561 CG2 VAL A 36 9.284 3.734 -6.663 1.00 34.52 C ATOM 0 H VAL A 36 7.319 2.682 -4.342 1.00 40.14 H new ATOM 0 HA VAL A 36 9.807 1.631 -5.300 1.00 44.10 H new ATOM 0 HB VAL A 36 8.639 4.343 -4.727 1.00 53.45 H new ATOM 0 HG11 VAL A 36 10.807 5.420 -5.173 1.00 20.05 H new ATOM 0 HG12 VAL A 36 10.843 4.459 -3.676 1.00 20.05 H new ATOM 0 HG13 VAL A 36 11.598 3.825 -5.157 1.00 20.05 H new ATOM 0 HG21 VAL A 36 9.343 4.752 -7.049 1.00 34.52 H new ATOM 0 HG22 VAL A 36 10.074 3.130 -7.109 1.00 34.52 H new ATOM 0 HG23 VAL A 36 8.314 3.306 -6.916 1.00 34.52 H new ATOM 571 N GLU A 37 9.503 2.598 -2.176 1.00 44.41 N ATOM 572 CA GLU A 37 10.145 2.580 -0.867 1.00 35.13 C ATOM 573 C GLU A 37 10.845 1.246 -0.623 1.00 11.30 C ATOM 574 O GLU A 37 12.016 1.207 -0.245 1.00 30.33 O ATOM 575 CB GLU A 37 9.116 2.839 0.235 1.00 50.10 C ATOM 576 CG GLU A 37 9.736 3.098 1.598 1.00 31.24 C ATOM 577 CD GLU A 37 8.705 3.130 2.710 1.00 71.54 C ATOM 578 OE1 GLU A 37 7.774 3.957 2.632 1.00 12.53 O ATOM 579 OE2 GLU A 37 8.832 2.327 3.659 1.00 31.25 O ATOM 0 H GLU A 37 8.524 2.884 -2.162 1.00 44.41 H new ATOM 0 HA GLU A 37 10.893 3.372 -0.847 1.00 35.13 H new ATOM 0 HB2 GLU A 37 8.504 3.696 -0.045 1.00 50.10 H new ATOM 0 HB3 GLU A 37 8.448 1.980 0.306 1.00 50.10 H new ATOM 0 HG2 GLU A 37 10.472 2.323 1.812 1.00 31.24 H new ATOM 0 HG3 GLU A 37 10.271 4.048 1.576 1.00 31.24 H new ATOM 584 N TYR A 38 10.118 0.156 -0.839 1.00 4.32 N ATOM 585 CA TYR A 38 10.666 -1.180 -0.638 1.00 31.13 C ATOM 586 C TYR A 38 11.273 -1.720 -1.931 1.00 15.12 C ATOM 587 O TYR A 38 12.303 -2.390 -1.913 1.00 43.01 O ATOM 588 CB TYR A 38 9.578 -2.131 -0.138 1.00 43.10 C ATOM 589 CG TYR A 38 8.723 -1.547 0.964 1.00 10.43 C ATOM 590 CD1 TYR A 38 9.283 -1.170 2.179 1.00 31.13 C ATOM 591 CD2 TYR A 38 7.355 -1.371 0.791 1.00 51.25 C ATOM 592 CE1 TYR A 38 8.506 -0.636 3.189 1.00 63.11 C ATOM 593 CE2 TYR A 38 6.572 -0.837 1.795 1.00 4.53 C ATOM 594 CZ TYR A 38 7.151 -0.471 2.991 1.00 41.42 C ATOM 595 OH TYR A 38 6.372 0.061 3.995 1.00 63.45 O ATOM 0 H TYR A 38 9.148 0.171 -1.153 1.00 4.32 H new ATOM 0 HA TYR A 38 11.453 -1.112 0.113 1.00 31.13 H new ATOM 0 HB2 TYR A 38 8.937 -2.409 -0.975 1.00 43.10 H new ATOM 0 HB3 TYR A 38 10.046 -3.047 0.223 1.00 43.10 H new ATOM 0 HD1 TYR A 38 10.344 -1.297 2.336 1.00 31.13 H new ATOM 0 HD2 TYR A 38 6.897 -1.657 -0.144 1.00 51.25 H new ATOM 0 HE1 TYR A 38 8.957 -0.350 4.128 1.00 63.11 H new ATOM 0 HE2 TYR A 38 5.511 -0.707 1.644 1.00 4.53 H new ATOM 0 HH TYR A 38 5.449 -0.253 3.895 1.00 63.45 H new ATOM 604 N GLY A 39 10.623 -1.418 -3.052 1.00 61.14 N ATOM 605 CA GLY A 39 11.113 -1.879 -4.338 1.00 2.41 C ATOM 606 C GLY A 39 10.105 -2.749 -5.064 1.00 54.31 C ATOM 607 O GLY A 39 8.946 -2.834 -4.662 1.00 2.42 O ATOM 0 H GLY A 39 9.768 -0.864 -3.092 1.00 61.14 H new ATOM 0 HA2 GLY A 39 11.360 -1.018 -4.959 1.00 2.41 H new ATOM 0 HA3 GLY A 39 12.035 -2.441 -4.192 1.00 2.41 H new ATOM 611 N SER A 40 10.548 -3.395 -6.138 1.00 53.25 N ATOM 612 CA SER A 40 9.675 -4.257 -6.925 1.00 45.12 C ATOM 613 C SER A 40 9.254 -5.484 -6.120 1.00 21.01 C ATOM 614 O SER A 40 8.153 -6.005 -6.294 1.00 35.12 O ATOM 615 CB SER A 40 10.380 -4.695 -8.211 1.00 11.12 C ATOM 616 OG SER A 40 9.583 -5.610 -8.943 1.00 15.33 O ATOM 0 H SER A 40 11.506 -3.338 -6.483 1.00 53.25 H new ATOM 0 HA SER A 40 8.782 -3.689 -7.184 1.00 45.12 H new ATOM 0 HB2 SER A 40 10.595 -3.822 -8.827 1.00 11.12 H new ATOM 0 HB3 SER A 40 11.337 -5.156 -7.966 1.00 11.12 H new ATOM 0 HG SER A 40 10.108 -5.983 -9.682 1.00 15.33 H new ATOM 621 N GLU A 41 10.140 -5.938 -5.240 1.00 2.34 N ATOM 622 CA GLU A 41 9.861 -7.103 -4.408 1.00 42.12 C ATOM 623 C GLU A 41 8.518 -6.956 -3.699 1.00 45.20 C ATOM 624 O GLU A 41 7.682 -7.859 -3.735 1.00 45.20 O ATOM 625 CB GLU A 41 10.974 -7.302 -3.379 1.00 50.14 C ATOM 626 CG GLU A 41 12.353 -7.462 -3.996 1.00 63.42 C ATOM 627 CD GLU A 41 12.643 -8.890 -4.416 1.00 2.14 C ATOM 628 OE1 GLU A 41 12.982 -9.709 -3.536 1.00 74.54 O ATOM 629 OE2 GLU A 41 12.528 -9.189 -5.623 1.00 65.21 O ATOM 0 H GLU A 41 11.056 -5.518 -5.084 1.00 2.34 H new ATOM 0 HA GLU A 41 9.816 -7.978 -5.057 1.00 42.12 H new ATOM 0 HB2 GLU A 41 10.986 -6.449 -2.700 1.00 50.14 H new ATOM 0 HB3 GLU A 41 10.749 -8.184 -2.779 1.00 50.14 H new ATOM 0 HG2 GLU A 41 12.436 -6.808 -4.864 1.00 63.42 H new ATOM 0 HG3 GLU A 41 13.107 -7.138 -3.279 1.00 63.42 H new ATOM 634 N PHE A 42 8.318 -5.812 -3.054 1.00 42.23 N ATOM 635 CA PHE A 42 7.077 -5.546 -2.334 1.00 21.40 C ATOM 636 C PHE A 42 5.918 -5.341 -3.306 1.00 61.04 C ATOM 637 O PHE A 42 4.812 -5.836 -3.085 1.00 50.20 O ATOM 638 CB PHE A 42 7.235 -4.313 -1.443 1.00 2.52 C ATOM 639 CG PHE A 42 6.104 -4.127 -0.472 1.00 21.31 C ATOM 640 CD1 PHE A 42 4.862 -3.697 -0.909 1.00 10.43 C ATOM 641 CD2 PHE A 42 6.283 -4.383 0.878 1.00 50.34 C ATOM 642 CE1 PHE A 42 3.818 -3.525 -0.018 1.00 62.32 C ATOM 643 CE2 PHE A 42 5.244 -4.215 1.773 1.00 12.34 C ATOM 644 CZ PHE A 42 4.010 -3.784 1.325 1.00 14.11 C ATOM 0 H PHE A 42 8.999 -5.054 -3.015 1.00 42.23 H new ATOM 0 HA PHE A 42 6.855 -6.411 -1.709 1.00 21.40 H new ATOM 0 HB2 PHE A 42 8.170 -4.392 -0.889 1.00 2.52 H new ATOM 0 HB3 PHE A 42 7.312 -3.427 -2.073 1.00 2.52 H new ATOM 0 HD1 PHE A 42 4.707 -3.494 -1.958 1.00 10.43 H new ATOM 0 HD2 PHE A 42 7.246 -4.718 1.235 1.00 50.34 H new ATOM 0 HE1 PHE A 42 2.855 -3.189 -0.372 1.00 62.32 H new ATOM 0 HE2 PHE A 42 5.396 -4.420 2.822 1.00 12.34 H new ATOM 0 HZ PHE A 42 3.197 -3.650 2.024 1.00 14.11 H new ATOM 653 N THR A 43 6.179 -4.608 -4.383 1.00 54.23 N ATOM 654 CA THR A 43 5.160 -4.335 -5.387 1.00 35.54 C ATOM 655 C THR A 43 4.586 -5.629 -5.954 1.00 33.13 C ATOM 656 O THR A 43 3.374 -5.760 -6.127 1.00 73.42 O ATOM 657 CB THR A 43 5.722 -3.486 -6.544 1.00 61.44 C ATOM 658 OG1 THR A 43 6.772 -2.638 -6.064 1.00 50.34 O ATOM 659 CG2 THR A 43 4.629 -2.639 -7.176 1.00 2.25 C ATOM 0 H THR A 43 7.089 -4.192 -4.582 1.00 54.23 H new ATOM 0 HA THR A 43 4.368 -3.776 -4.888 1.00 35.54 H new ATOM 0 HB THR A 43 6.118 -4.162 -7.301 1.00 61.44 H new ATOM 0 HG1 THR A 43 7.531 -3.188 -5.777 1.00 50.34 H new ATOM 0 HG21 THR A 43 5.051 -2.049 -7.990 1.00 2.25 H new ATOM 0 HG22 THR A 43 3.846 -3.288 -7.567 1.00 2.25 H new ATOM 0 HG23 THR A 43 4.206 -1.971 -6.425 1.00 2.25 H new ATOM 667 N LYS A 44 5.464 -6.583 -6.242 1.00 34.33 N ATOM 668 CA LYS A 44 5.046 -7.868 -6.788 1.00 60.33 C ATOM 669 C LYS A 44 4.403 -8.734 -5.709 1.00 30.12 C ATOM 670 O LYS A 44 3.577 -9.598 -6.005 1.00 14.02 O ATOM 671 CB LYS A 44 6.243 -8.601 -7.398 1.00 62.43 C ATOM 672 CG LYS A 44 6.921 -7.831 -8.519 1.00 12.24 C ATOM 673 CD LYS A 44 6.328 -8.182 -9.874 1.00 74.44 C ATOM 674 CE LYS A 44 6.546 -7.065 -10.883 1.00 22.03 C ATOM 675 NZ LYS A 44 7.934 -7.067 -11.422 1.00 44.43 N ATOM 0 H LYS A 44 6.471 -6.490 -6.106 1.00 34.33 H new ATOM 0 HA LYS A 44 4.308 -7.680 -7.567 1.00 60.33 H new ATOM 0 HB2 LYS A 44 6.973 -8.803 -6.614 1.00 62.43 H new ATOM 0 HB3 LYS A 44 5.911 -9.566 -7.781 1.00 62.43 H new ATOM 0 HG2 LYS A 44 6.817 -6.761 -8.341 1.00 12.24 H new ATOM 0 HG3 LYS A 44 7.988 -8.052 -8.520 1.00 12.24 H new ATOM 0 HD2 LYS A 44 6.781 -9.102 -10.244 1.00 74.44 H new ATOM 0 HD3 LYS A 44 5.260 -8.374 -9.767 1.00 74.44 H new ATOM 0 HE2 LYS A 44 5.838 -7.174 -11.704 1.00 22.03 H new ATOM 0 HE3 LYS A 44 6.341 -6.104 -10.411 1.00 22.03 H new ATOM 0 HZ1 LYS A 44 8.023 -6.335 -12.155 1.00 44.43 H new ATOM 0 HZ2 LYS A 44 8.605 -6.870 -10.653 1.00 44.43 H new ATOM 0 HZ3 LYS A 44 8.145 -7.998 -11.835 1.00 44.43 H new ATOM 685 N GLN A 45 4.787 -8.496 -4.460 1.00 51.52 N ATOM 686 CA GLN A 45 4.247 -9.255 -3.337 1.00 23.03 C ATOM 687 C GLN A 45 2.847 -8.769 -2.975 1.00 72.41 C ATOM 688 O GLN A 45 2.024 -9.534 -2.475 1.00 23.42 O ATOM 689 CB GLN A 45 5.170 -9.138 -2.124 1.00 42.11 C ATOM 690 CG GLN A 45 5.076 -10.319 -1.171 1.00 63.11 C ATOM 691 CD GLN A 45 5.898 -11.506 -1.632 1.00 62.04 C ATOM 692 OE1 GLN A 45 7.128 -11.485 -1.573 1.00 4.41 O ATOM 693 NE2 GLN A 45 5.221 -12.551 -2.095 1.00 44.12 N ATOM 0 H GLN A 45 5.470 -7.784 -4.199 1.00 51.52 H new ATOM 0 HA GLN A 45 4.183 -10.301 -3.635 1.00 23.03 H new ATOM 0 HB2 GLN A 45 6.199 -9.042 -2.469 1.00 42.11 H new ATOM 0 HB3 GLN A 45 4.929 -8.224 -1.581 1.00 42.11 H new ATOM 0 HG2 GLN A 45 5.413 -10.010 -0.181 1.00 63.11 H new ATOM 0 HG3 GLN A 45 4.033 -10.620 -1.073 1.00 63.11 H new ATOM 0 HE21 GLN A 45 4.202 -12.525 -2.126 1.00 44.12 H new ATOM 0 HE22 GLN A 45 5.720 -13.379 -2.420 1.00 44.12 H new ATOM 700 N MET A 46 2.585 -7.492 -3.232 1.00 32.24 N ATOM 701 CA MET A 46 1.284 -6.903 -2.934 1.00 4.42 C ATOM 702 C MET A 46 0.512 -6.611 -4.217 1.00 44.03 C ATOM 703 O MET A 46 -0.574 -6.031 -4.181 1.00 51.15 O ATOM 704 CB MET A 46 1.456 -5.617 -2.123 1.00 25.35 C ATOM 705 CG MET A 46 1.986 -4.450 -2.941 1.00 41.42 C ATOM 706 SD MET A 46 0.687 -3.303 -3.439 1.00 44.12 S ATOM 707 CE MET A 46 1.660 -1.985 -4.163 1.00 1.22 C ATOM 0 H MET A 46 3.256 -6.845 -3.646 1.00 32.24 H new ATOM 0 HA MET A 46 0.714 -7.621 -2.345 1.00 4.42 H new ATOM 0 HB2 MET A 46 0.495 -5.339 -1.689 1.00 25.35 H new ATOM 0 HB3 MET A 46 2.137 -5.808 -1.294 1.00 25.35 H new ATOM 0 HG2 MET A 46 2.735 -3.914 -2.358 1.00 41.42 H new ATOM 0 HG3 MET A 46 2.488 -4.833 -3.830 1.00 41.42 H new ATOM 0 HE1 MET A 46 1.059 -1.452 -4.900 1.00 1.22 H new ATOM 0 HE2 MET A 46 1.974 -1.293 -3.381 1.00 1.22 H new ATOM 0 HE3 MET A 46 2.540 -2.407 -4.649 1.00 1.22 H new ATOM 715 N TYR A 47 1.079 -7.016 -5.348 1.00 35.02 N ATOM 716 CA TYR A 47 0.445 -6.795 -6.642 1.00 71.50 C ATOM 717 C TYR A 47 1.254 -7.441 -7.762 1.00 61.21 C ATOM 718 O TYR A 47 2.261 -6.893 -8.213 1.00 4.30 O ATOM 719 CB TYR A 47 0.291 -5.296 -6.909 1.00 45.25 C ATOM 720 CG TYR A 47 -0.861 -4.959 -7.828 1.00 44.54 C ATOM 721 CD1 TYR A 47 -2.159 -5.345 -7.515 1.00 4.04 C ATOM 722 CD2 TYR A 47 -0.653 -4.255 -9.006 1.00 21.34 C ATOM 723 CE1 TYR A 47 -3.215 -5.041 -8.352 1.00 12.52 C ATOM 724 CE2 TYR A 47 -1.704 -3.946 -9.848 1.00 74.34 C ATOM 725 CZ TYR A 47 -2.983 -4.341 -9.517 1.00 51.11 C ATOM 726 OH TYR A 47 -4.032 -4.035 -10.352 1.00 73.10 O ATOM 0 H TYR A 47 1.976 -7.499 -5.395 1.00 35.02 H new ATOM 0 HA TYR A 47 -0.542 -7.257 -6.618 1.00 71.50 H new ATOM 0 HB2 TYR A 47 0.150 -4.779 -5.960 1.00 45.25 H new ATOM 0 HB3 TYR A 47 1.215 -4.916 -7.345 1.00 45.25 H new ATOM 0 HD1 TYR A 47 -2.345 -5.892 -6.602 1.00 4.04 H new ATOM 0 HD2 TYR A 47 0.347 -3.944 -9.269 1.00 21.34 H new ATOM 0 HE1 TYR A 47 -4.217 -5.350 -8.095 1.00 12.52 H new ATOM 0 HE2 TYR A 47 -1.525 -3.398 -10.761 1.00 74.34 H new ATOM 0 HH TYR A 47 -4.651 -4.794 -10.391 1.00 73.10 H new ATOM 735 N ASP A 48 0.807 -8.610 -8.207 1.00 21.42 N ATOM 736 CA ASP A 48 1.487 -9.333 -9.276 1.00 32.45 C ATOM 737 C ASP A 48 0.828 -9.054 -10.624 1.00 22.20 C ATOM 738 O ASP A 48 -0.102 -9.750 -11.027 1.00 25.32 O ATOM 739 CB ASP A 48 1.478 -10.836 -8.991 1.00 13.31 C ATOM 740 CG ASP A 48 2.875 -11.416 -8.901 1.00 54.34 C ATOM 741 OD1 ASP A 48 3.761 -10.744 -8.333 1.00 50.11 O ATOM 742 OD2 ASP A 48 3.083 -12.542 -9.398 1.00 41.12 O ATOM 0 H ASP A 48 -0.024 -9.078 -7.844 1.00 21.42 H new ATOM 0 HA ASP A 48 2.519 -8.986 -9.317 1.00 32.45 H new ATOM 0 HB2 ASP A 48 0.949 -11.022 -8.056 1.00 13.31 H new ATOM 0 HB3 ASP A 48 0.925 -11.349 -9.778 1.00 13.31 H new ATOM 746 N GLY A 49 1.318 -8.030 -11.316 1.00 34.01 N ATOM 747 CA GLY A 49 0.765 -7.677 -12.611 1.00 35.11 C ATOM 748 C GLY A 49 -0.456 -6.786 -12.496 1.00 54.22 C ATOM 749 O GLY A 49 -0.336 -5.563 -12.444 1.00 35.31 O ATOM 0 H GLY A 49 2.088 -7.439 -11.003 1.00 34.01 H new ATOM 0 HA2 GLY A 49 1.527 -7.169 -13.202 1.00 35.11 H new ATOM 0 HA3 GLY A 49 0.498 -8.587 -13.149 1.00 35.11 H new ATOM 753 N ASN A 50 -1.634 -7.400 -12.457 1.00 35.45 N ATOM 754 CA ASN A 50 -2.882 -6.653 -12.350 1.00 62.34 C ATOM 755 C ASN A 50 -3.668 -7.082 -11.115 1.00 14.13 C ATOM 756 O ASN A 50 -4.704 -6.501 -10.794 1.00 13.42 O ATOM 757 CB ASN A 50 -3.732 -6.857 -13.606 1.00 72.03 C ATOM 758 CG ASN A 50 -3.163 -6.136 -14.813 1.00 63.33 C ATOM 759 OD1 ASN A 50 -2.494 -6.740 -15.652 1.00 24.22 O ATOM 760 ND2 ASN A 50 -3.426 -4.838 -14.905 1.00 60.34 N ATOM 0 H ASN A 50 -1.751 -8.412 -12.498 1.00 35.45 H new ATOM 0 HA ASN A 50 -2.637 -5.595 -12.253 1.00 62.34 H new ATOM 0 HB2 ASN A 50 -3.804 -7.923 -13.823 1.00 72.03 H new ATOM 0 HB3 ASN A 50 -4.745 -6.501 -13.418 1.00 72.03 H new ATOM 0 HD21 ASN A 50 -3.069 -4.300 -15.695 1.00 60.34 H new ATOM 0 HD22 ASN A 50 -3.985 -4.379 -14.186 1.00 60.34 H new ATOM 766 N ASN A 51 -3.168 -8.102 -10.426 1.00 20.41 N ATOM 767 CA ASN A 51 -3.823 -8.610 -9.226 1.00 31.31 C ATOM 768 C ASN A 51 -2.814 -9.276 -8.296 1.00 62.13 C ATOM 769 O ASN A 51 -1.702 -9.610 -8.706 1.00 71.13 O ATOM 770 CB ASN A 51 -4.922 -9.606 -9.603 1.00 54.31 C ATOM 771 CG ASN A 51 -4.373 -10.837 -10.295 1.00 24.31 C ATOM 772 OD1 ASN A 51 -3.927 -11.782 -9.643 1.00 23.51 O ATOM 773 ND2 ASN A 51 -4.404 -10.833 -11.622 1.00 22.53 N ATOM 0 H ASN A 51 -2.311 -8.594 -10.678 1.00 20.41 H new ATOM 0 HA ASN A 51 -4.271 -7.766 -8.701 1.00 31.31 H new ATOM 0 HB2 ASN A 51 -5.460 -9.907 -8.704 1.00 54.31 H new ATOM 0 HB3 ASN A 51 -5.644 -9.116 -10.257 1.00 54.31 H new ATOM 0 HD21 ASN A 51 -4.049 -11.635 -12.143 1.00 22.53 H new ATOM 0 HD22 ASN A 51 -4.783 -10.028 -12.121 1.00 22.53 H new ATOM 779 N LEU A 52 -3.210 -9.467 -7.043 1.00 42.35 N ATOM 780 CA LEU A 52 -2.341 -10.095 -6.053 1.00 20.02 C ATOM 781 C LEU A 52 -1.746 -11.390 -6.594 1.00 23.24 C ATOM 782 O LEU A 52 -2.279 -11.988 -7.531 1.00 73.42 O ATOM 783 CB LEU A 52 -3.120 -10.377 -4.767 1.00 60.11 C ATOM 784 CG LEU A 52 -3.817 -9.176 -4.128 1.00 10.33 C ATOM 785 CD1 LEU A 52 -3.089 -7.888 -4.478 1.00 14.40 C ATOM 786 CD2 LEU A 52 -5.272 -9.105 -4.570 1.00 40.20 C ATOM 0 H LEU A 52 -4.127 -9.196 -6.688 1.00 42.35 H new ATOM 0 HA LEU A 52 -1.525 -9.406 -5.833 1.00 20.02 H new ATOM 0 HB2 LEU A 52 -3.872 -11.137 -4.981 1.00 60.11 H new ATOM 0 HB3 LEU A 52 -2.433 -10.804 -4.036 1.00 60.11 H new ATOM 0 HG LEU A 52 -3.793 -9.301 -3.045 1.00 10.33 H new ATOM 0 HD11 LEU A 52 -3.600 -7.044 -4.014 1.00 14.40 H new ATOM 0 HD12 LEU A 52 -2.064 -7.938 -4.111 1.00 14.40 H new ATOM 0 HD13 LEU A 52 -3.081 -7.757 -5.560 1.00 14.40 H new ATOM 0 HD21 LEU A 52 -5.752 -8.244 -4.105 1.00 40.20 H new ATOM 0 HD22 LEU A 52 -5.318 -9.005 -5.654 1.00 40.20 H new ATOM 0 HD23 LEU A 52 -5.789 -10.016 -4.267 1.00 40.20 H new ATOM 797 N PHE A 53 -0.639 -11.821 -5.999 1.00 4.13 N ATOM 798 CA PHE A 53 0.029 -13.048 -6.420 1.00 33.24 C ATOM 799 C PHE A 53 -0.705 -14.276 -5.891 1.00 53.30 C ATOM 800 O PHE A 53 -1.245 -15.071 -6.660 1.00 1.52 O ATOM 801 CB PHE A 53 1.479 -13.056 -5.934 1.00 64.55 C ATOM 802 CG PHE A 53 2.176 -14.369 -6.152 1.00 41.45 C ATOM 803 CD1 PHE A 53 2.242 -14.933 -7.415 1.00 61.33 C ATOM 804 CD2 PHE A 53 2.765 -15.040 -5.091 1.00 34.51 C ATOM 805 CE1 PHE A 53 2.883 -16.141 -7.617 1.00 21.11 C ATOM 806 CE2 PHE A 53 3.406 -16.248 -5.288 1.00 44.44 C ATOM 807 CZ PHE A 53 3.466 -16.799 -6.553 1.00 71.15 C ATOM 0 H PHE A 53 -0.185 -11.339 -5.223 1.00 4.13 H new ATOM 0 HA PHE A 53 0.019 -13.083 -7.509 1.00 33.24 H new ATOM 0 HB2 PHE A 53 2.031 -12.270 -6.450 1.00 64.55 H new ATOM 0 HB3 PHE A 53 1.499 -12.815 -4.871 1.00 64.55 H new ATOM 0 HD1 PHE A 53 1.788 -14.423 -8.252 1.00 61.33 H new ATOM 0 HD2 PHE A 53 2.722 -14.614 -4.100 1.00 34.51 H new ATOM 0 HE1 PHE A 53 2.928 -16.570 -8.607 1.00 21.11 H new ATOM 0 HE2 PHE A 53 3.860 -16.761 -4.453 1.00 44.44 H new ATOM 0 HZ PHE A 53 3.968 -17.742 -6.709 1.00 71.15 H new ATOM 816 N LYS A 54 -0.718 -14.425 -4.570 1.00 25.15 N ATOM 817 CA LYS A 54 -1.386 -15.555 -3.934 1.00 64.32 C ATOM 818 C LYS A 54 -2.860 -15.250 -3.688 1.00 51.34 C ATOM 819 O LYS A 54 -3.739 -15.983 -4.138 1.00 73.14 O ATOM 820 CB LYS A 54 -0.697 -15.902 -2.612 1.00 4.24 C ATOM 821 CG LYS A 54 -1.326 -17.082 -1.890 1.00 33.30 C ATOM 822 CD LYS A 54 -1.135 -18.375 -2.665 1.00 11.30 C ATOM 823 CE LYS A 54 0.273 -18.923 -2.497 1.00 52.15 C ATOM 824 NZ LYS A 54 0.397 -20.309 -3.027 1.00 53.20 N ATOM 0 H LYS A 54 -0.274 -13.777 -3.919 1.00 25.15 H new ATOM 0 HA LYS A 54 -1.319 -16.410 -4.607 1.00 64.32 H new ATOM 0 HB2 LYS A 54 0.353 -16.123 -2.806 1.00 4.24 H new ATOM 0 HB3 LYS A 54 -0.724 -15.030 -1.958 1.00 4.24 H new ATOM 0 HG2 LYS A 54 -0.883 -17.182 -0.899 1.00 33.30 H new ATOM 0 HG3 LYS A 54 -2.390 -16.897 -1.746 1.00 33.30 H new ATOM 0 HD2 LYS A 54 -1.858 -19.116 -2.323 1.00 11.30 H new ATOM 0 HD3 LYS A 54 -1.334 -18.200 -3.722 1.00 11.30 H new ATOM 0 HE2 LYS A 54 0.979 -18.273 -3.013 1.00 52.15 H new ATOM 0 HE3 LYS A 54 0.543 -18.913 -1.441 1.00 52.15 H new ATOM 0 HZ1 LYS A 54 1.372 -20.646 -2.893 1.00 53.20 H new ATOM 0 HZ2 LYS A 54 -0.259 -20.935 -2.518 1.00 53.20 H new ATOM 0 HZ3 LYS A 54 0.165 -20.315 -4.041 1.00 53.20 H new ATOM 834 N ASN A 55 -3.121 -14.162 -2.970 1.00 31.55 N ATOM 835 CA ASN A 55 -4.490 -13.759 -2.666 1.00 75.24 C ATOM 836 C ASN A 55 -4.518 -12.767 -1.506 1.00 22.32 C ATOM 837 O ASN A 55 -5.310 -12.908 -0.574 1.00 62.32 O ATOM 838 CB ASN A 55 -5.340 -14.983 -2.325 1.00 22.12 C ATOM 839 CG ASN A 55 -6.296 -15.352 -3.443 1.00 21.32 C ATOM 840 OD1 ASN A 55 -6.762 -14.488 -4.186 1.00 10.11 O ATOM 841 ND2 ASN A 55 -6.592 -16.641 -3.567 1.00 0.22 N ATOM 0 H ASN A 55 -2.404 -13.545 -2.588 1.00 31.55 H new ATOM 0 HA ASN A 55 -4.905 -13.272 -3.549 1.00 75.24 H new ATOM 0 HB2 ASN A 55 -4.686 -15.829 -2.116 1.00 22.12 H new ATOM 0 HB3 ASN A 55 -5.907 -14.786 -1.415 1.00 22.12 H new ATOM 0 HD21 ASN A 55 -7.229 -16.950 -4.301 1.00 0.22 H new ATOM 0 HD22 ASN A 55 -6.182 -17.322 -2.928 1.00 0.22 H new ATOM 847 N VAL A 56 -3.650 -11.763 -1.571 1.00 63.13 N ATOM 848 CA VAL A 56 -3.576 -10.746 -0.529 1.00 4.51 C ATOM 849 C VAL A 56 -4.842 -9.898 -0.499 1.00 53.10 C ATOM 850 O VAL A 56 -5.389 -9.544 -1.544 1.00 34.32 O ATOM 851 CB VAL A 56 -2.358 -9.826 -0.727 1.00 71.11 C ATOM 852 CG1 VAL A 56 -2.100 -9.003 0.526 1.00 51.32 C ATOM 853 CG2 VAL A 56 -1.130 -10.641 -1.102 1.00 74.24 C ATOM 0 H VAL A 56 -2.987 -11.632 -2.335 1.00 63.13 H new ATOM 0 HA VAL A 56 -3.472 -11.272 0.420 1.00 4.51 H new ATOM 0 HB VAL A 56 -2.573 -9.139 -1.545 1.00 71.11 H new ATOM 0 HG11 VAL A 56 -1.235 -8.359 0.367 1.00 51.32 H new ATOM 0 HG12 VAL A 56 -2.974 -8.389 0.745 1.00 51.32 H new ATOM 0 HG13 VAL A 56 -1.906 -9.670 1.366 1.00 51.32 H new ATOM 0 HG21 VAL A 56 -0.278 -9.974 -1.238 1.00 74.24 H new ATOM 0 HG22 VAL A 56 -0.910 -11.354 -0.307 1.00 74.24 H new ATOM 0 HG23 VAL A 56 -1.321 -11.180 -2.030 1.00 74.24 H new ATOM 863 N ILE A 57 -5.302 -9.573 0.705 1.00 24.11 N ATOM 864 CA ILE A 57 -6.502 -8.764 0.870 1.00 1.55 C ATOM 865 C ILE A 57 -6.207 -7.498 1.667 1.00 51.32 C ATOM 866 O ILE A 57 -5.971 -7.553 2.875 1.00 63.22 O ATOM 867 CB ILE A 57 -7.621 -9.553 1.578 1.00 53.14 C ATOM 868 CG1 ILE A 57 -7.970 -10.811 0.781 1.00 42.02 C ATOM 869 CG2 ILE A 57 -8.852 -8.678 1.763 1.00 54.44 C ATOM 870 CD1 ILE A 57 -8.662 -11.876 1.604 1.00 32.31 C ATOM 0 H ILE A 57 -4.861 -9.858 1.580 1.00 24.11 H new ATOM 0 HA ILE A 57 -6.838 -8.491 -0.131 1.00 1.55 H new ATOM 0 HB ILE A 57 -7.264 -9.856 2.562 1.00 53.14 H new ATOM 0 HG12 ILE A 57 -8.613 -10.535 -0.055 1.00 42.02 H new ATOM 0 HG13 ILE A 57 -7.056 -11.228 0.357 1.00 42.02 H new ATOM 0 HG21 ILE A 57 -9.633 -9.250 2.264 1.00 54.44 H new ATOM 0 HG22 ILE A 57 -8.593 -7.809 2.368 1.00 54.44 H new ATOM 0 HG23 ILE A 57 -9.213 -8.347 0.789 1.00 54.44 H new ATOM 0 HD11 ILE A 57 -8.879 -12.739 0.974 1.00 32.31 H new ATOM 0 HD12 ILE A 57 -8.013 -12.180 2.425 1.00 32.31 H new ATOM 0 HD13 ILE A 57 -9.593 -11.477 2.007 1.00 32.31 H new ATOM 881 N ILE A 58 -6.223 -6.359 0.984 1.00 72.02 N ATOM 882 CA ILE A 58 -5.960 -5.078 1.630 1.00 62.51 C ATOM 883 C ILE A 58 -7.124 -4.114 1.433 1.00 52.23 C ATOM 884 O ILE A 58 -7.658 -3.983 0.331 1.00 22.23 O ATOM 885 CB ILE A 58 -4.673 -4.429 1.087 1.00 72.33 C ATOM 886 CG1 ILE A 58 -4.718 -2.913 1.285 1.00 13.01 C ATOM 887 CG2 ILE A 58 -4.487 -4.771 -0.384 1.00 20.21 C ATOM 888 CD1 ILE A 58 -3.388 -2.232 1.049 1.00 53.22 C ATOM 0 H ILE A 58 -6.415 -6.296 -0.016 1.00 72.02 H new ATOM 0 HA ILE A 58 -5.835 -5.280 2.694 1.00 62.51 H new ATOM 0 HB ILE A 58 -3.822 -4.824 1.642 1.00 72.33 H new ATOM 0 HG12 ILE A 58 -5.459 -2.488 0.608 1.00 13.01 H new ATOM 0 HG13 ILE A 58 -5.052 -2.697 2.300 1.00 13.01 H new ATOM 0 HG21 ILE A 58 -3.573 -4.305 -0.753 1.00 20.21 H new ATOM 0 HG22 ILE A 58 -4.415 -5.852 -0.500 1.00 20.21 H new ATOM 0 HG23 ILE A 58 -5.339 -4.401 -0.954 1.00 20.21 H new ATOM 0 HD11 ILE A 58 -3.496 -1.159 1.207 1.00 53.22 H new ATOM 0 HD12 ILE A 58 -2.648 -2.629 1.744 1.00 53.22 H new ATOM 0 HD13 ILE A 58 -3.061 -2.417 0.026 1.00 53.22 H new ATOM 899 N LEU A 59 -7.513 -3.438 2.509 1.00 11.02 N ATOM 900 CA LEU A 59 -8.614 -2.482 2.456 1.00 24.31 C ATOM 901 C LEU A 59 -8.182 -1.123 2.997 1.00 40.10 C ATOM 902 O LEU A 59 -7.174 -1.013 3.695 1.00 32.44 O ATOM 903 CB LEU A 59 -9.808 -3.006 3.255 1.00 43.32 C ATOM 904 CG LEU A 59 -10.656 -4.079 2.571 1.00 41.13 C ATOM 905 CD1 LEU A 59 -11.635 -4.696 3.558 1.00 30.32 C ATOM 906 CD2 LEU A 59 -11.396 -3.493 1.377 1.00 71.12 C ATOM 0 H LEU A 59 -7.082 -3.534 3.429 1.00 11.02 H new ATOM 0 HA LEU A 59 -8.907 -2.360 1.413 1.00 24.31 H new ATOM 0 HB2 LEU A 59 -9.439 -3.410 4.198 1.00 43.32 H new ATOM 0 HB3 LEU A 59 -10.454 -2.163 3.500 1.00 43.32 H new ATOM 0 HG LEU A 59 -9.992 -4.865 2.211 1.00 41.13 H new ATOM 0 HD11 LEU A 59 -12.230 -5.457 3.053 1.00 30.32 H new ATOM 0 HD12 LEU A 59 -11.084 -5.152 4.380 1.00 30.32 H new ATOM 0 HD13 LEU A 59 -12.294 -3.921 3.949 1.00 30.32 H new ATOM 0 HD21 LEU A 59 -11.994 -4.271 0.902 1.00 71.12 H new ATOM 0 HD22 LEU A 59 -12.049 -2.687 1.713 1.00 71.12 H new ATOM 0 HD23 LEU A 59 -10.676 -3.101 0.659 1.00 71.12 H new ATOM 917 N VAL A 60 -8.953 -0.090 2.672 1.00 21.30 N ATOM 918 CA VAL A 60 -8.652 1.261 3.127 1.00 51.14 C ATOM 919 C VAL A 60 -9.883 1.922 3.738 1.00 31.22 C ATOM 920 O VAL A 60 -10.972 1.875 3.168 1.00 13.21 O ATOM 921 CB VAL A 60 -8.131 2.139 1.974 1.00 74.24 C ATOM 922 CG1 VAL A 60 -9.216 2.348 0.929 1.00 64.44 C ATOM 923 CG2 VAL A 60 -7.628 3.473 2.506 1.00 30.44 C ATOM 0 H VAL A 60 -9.791 -0.164 2.095 1.00 21.30 H new ATOM 0 HA VAL A 60 -7.875 1.173 3.886 1.00 51.14 H new ATOM 0 HB VAL A 60 -7.296 1.625 1.498 1.00 74.24 H new ATOM 0 HG11 VAL A 60 -8.829 2.971 0.122 1.00 64.44 H new ATOM 0 HG12 VAL A 60 -9.524 1.383 0.527 1.00 64.44 H new ATOM 0 HG13 VAL A 60 -10.073 2.840 1.388 1.00 64.44 H new ATOM 0 HG21 VAL A 60 -7.264 4.081 1.678 1.00 30.44 H new ATOM 0 HG22 VAL A 60 -8.443 3.995 3.008 1.00 30.44 H new ATOM 0 HG23 VAL A 60 -6.817 3.300 3.214 1.00 30.44 H new ATOM 933 N ASN A 61 -9.701 2.537 4.902 1.00 34.21 N ATOM 934 CA ASN A 61 -10.797 3.208 5.591 1.00 32.24 C ATOM 935 C ASN A 61 -11.991 2.273 5.754 1.00 52.30 C ATOM 936 O ASN A 61 -13.137 2.715 5.803 1.00 2.23 O ATOM 937 CB ASN A 61 -11.219 4.462 4.822 1.00 11.25 C ATOM 938 CG ASN A 61 -12.009 5.429 5.682 1.00 74.11 C ATOM 939 OD1 ASN A 61 -11.814 5.499 6.896 1.00 14.52 O ATOM 940 ND2 ASN A 61 -12.906 6.183 5.056 1.00 44.11 N ATOM 0 H ASN A 61 -8.805 2.585 5.388 1.00 34.21 H new ATOM 0 HA ASN A 61 -10.447 3.498 6.582 1.00 32.24 H new ATOM 0 HB2 ASN A 61 -10.332 4.964 4.437 1.00 11.25 H new ATOM 0 HB3 ASN A 61 -11.820 4.171 3.961 1.00 11.25 H new ATOM 0 HD21 ASN A 61 -13.466 6.853 5.583 1.00 44.11 H new ATOM 0 HD22 ASN A 61 -13.035 6.092 4.048 1.00 44.11 H new ATOM 946 N GLY A 62 -11.712 0.975 5.839 1.00 54.45 N ATOM 947 CA GLY A 62 -12.772 -0.002 5.998 1.00 63.01 C ATOM 948 C GLY A 62 -13.633 -0.130 4.757 1.00 72.54 C ATOM 949 O GLY A 62 -14.857 -0.208 4.848 1.00 22.43 O ATOM 0 H GLY A 62 -10.771 0.584 5.800 1.00 54.45 H new ATOM 0 HA2 GLY A 62 -12.335 -0.972 6.235 1.00 63.01 H new ATOM 0 HA3 GLY A 62 -13.399 0.281 6.844 1.00 63.01 H new ATOM 953 N ASN A 63 -12.992 -0.149 3.593 1.00 73.12 N ATOM 954 CA ASN A 63 -13.707 -0.265 2.327 1.00 70.32 C ATOM 955 C ASN A 63 -12.733 -0.372 1.159 1.00 64.25 C ATOM 956 O ASN A 63 -11.709 0.311 1.126 1.00 4.34 O ATOM 957 CB ASN A 63 -14.630 0.939 2.127 1.00 22.03 C ATOM 958 CG ASN A 63 -15.843 0.603 1.282 1.00 34.15 C ATOM 959 OD1 ASN A 63 -16.273 -0.549 1.222 1.00 13.41 O ATOM 960 ND2 ASN A 63 -16.402 1.612 0.622 1.00 62.34 N ATOM 0 H ASN A 63 -11.978 -0.086 3.500 1.00 73.12 H new ATOM 0 HA ASN A 63 -14.307 -1.174 2.360 1.00 70.32 H new ATOM 0 HB2 ASN A 63 -14.958 1.307 3.099 1.00 22.03 H new ATOM 0 HB3 ASN A 63 -14.072 1.746 1.652 1.00 22.03 H new ATOM 0 HD21 ASN A 63 -17.221 1.447 0.037 1.00 62.34 H new ATOM 0 HD22 ASN A 63 -16.012 2.551 0.701 1.00 62.34 H new ATOM 966 N ASN A 64 -13.058 -1.234 0.201 1.00 72.32 N ATOM 967 CA ASN A 64 -12.212 -1.431 -0.971 1.00 52.13 C ATOM 968 C ASN A 64 -12.244 -0.205 -1.877 1.00 73.35 C ATOM 969 O ASN A 64 -13.272 0.460 -2.003 1.00 32.11 O ATOM 970 CB ASN A 64 -12.663 -2.668 -1.749 1.00 72.44 C ATOM 971 CG ASN A 64 -14.166 -2.709 -1.948 1.00 54.10 C ATOM 972 OD1 ASN A 64 -14.705 -2.044 -2.833 1.00 60.24 O ATOM 973 ND2 ASN A 64 -14.851 -3.492 -1.123 1.00 63.34 N ATOM 0 H ASN A 64 -13.901 -1.808 0.213 1.00 72.32 H new ATOM 0 HA ASN A 64 -11.188 -1.580 -0.629 1.00 52.13 H new ATOM 0 HB2 ASN A 64 -12.170 -2.682 -2.721 1.00 72.44 H new ATOM 0 HB3 ASN A 64 -12.345 -3.565 -1.217 1.00 72.44 H new ATOM 0 HD21 ASN A 64 -15.865 -3.560 -1.209 1.00 63.34 H new ATOM 0 HD22 ASN A 64 -14.363 -4.026 -0.404 1.00 63.34 H new ATOM 979 N ILE A 65 -11.111 0.088 -2.508 1.00 4.43 N ATOM 980 CA ILE A 65 -11.010 1.233 -3.405 1.00 42.53 C ATOM 981 C ILE A 65 -11.699 0.951 -4.735 1.00 33.03 C ATOM 982 O ILE A 65 -12.218 1.860 -5.384 1.00 12.11 O ATOM 983 CB ILE A 65 -9.542 1.612 -3.670 1.00 71.10 C ATOM 984 CG1 ILE A 65 -8.806 0.451 -4.343 1.00 31.31 C ATOM 985 CG2 ILE A 65 -8.851 2.001 -2.371 1.00 31.33 C ATOM 986 CD1 ILE A 65 -7.351 0.746 -4.637 1.00 3.50 C ATOM 0 H ILE A 65 -10.251 -0.452 -2.414 1.00 4.43 H new ATOM 0 HA ILE A 65 -11.508 2.067 -2.910 1.00 42.53 H new ATOM 0 HB ILE A 65 -9.520 2.470 -4.341 1.00 71.10 H new ATOM 0 HG12 ILE A 65 -8.868 -0.428 -3.701 1.00 31.31 H new ATOM 0 HG13 ILE A 65 -9.313 0.202 -5.275 1.00 31.31 H new ATOM 0 HG21 ILE A 65 -7.814 2.266 -2.576 1.00 31.33 H new ATOM 0 HG22 ILE A 65 -9.363 2.855 -1.928 1.00 31.33 H new ATOM 0 HG23 ILE A 65 -8.880 1.161 -1.677 1.00 31.33 H new ATOM 0 HD11 ILE A 65 -6.893 -0.121 -5.113 1.00 3.50 H new ATOM 0 HD12 ILE A 65 -7.282 1.606 -5.304 1.00 3.50 H new ATOM 0 HD13 ILE A 65 -6.829 0.966 -3.706 1.00 3.50 H new ATOM 997 N THR A 66 -11.703 -0.316 -5.137 1.00 63.30 N ATOM 998 CA THR A 66 -12.329 -0.719 -6.390 1.00 20.32 C ATOM 999 C THR A 66 -13.807 -0.346 -6.411 1.00 4.41 C ATOM 1000 O THR A 66 -14.390 -0.136 -7.474 1.00 20.31 O ATOM 1001 CB THR A 66 -12.190 -2.235 -6.626 1.00 2.00 C ATOM 1002 OG1 THR A 66 -12.880 -2.955 -5.599 1.00 3.22 O ATOM 1003 CG2 THR A 66 -10.726 -2.648 -6.645 1.00 31.42 C ATOM 0 H THR A 66 -11.279 -1.081 -4.612 1.00 63.30 H new ATOM 0 HA THR A 66 -11.811 -0.186 -7.187 1.00 20.32 H new ATOM 0 HB THR A 66 -12.630 -2.472 -7.595 1.00 2.00 H new ATOM 0 HG1 THR A 66 -12.789 -3.918 -5.757 1.00 3.22 H new ATOM 0 HG21 THR A 66 -10.653 -3.723 -6.813 1.00 31.42 H new ATOM 0 HG22 THR A 66 -10.209 -2.120 -7.446 1.00 31.42 H new ATOM 0 HG23 THR A 66 -10.265 -2.398 -5.689 1.00 31.42 H new ATOM 1011 N SER A 67 -14.409 -0.266 -5.228 1.00 54.11 N ATOM 1012 CA SER A 67 -15.821 0.078 -5.111 1.00 54.21 C ATOM 1013 C SER A 67 -16.145 1.328 -5.926 1.00 44.34 C ATOM 1014 O SER A 67 -17.143 1.370 -6.645 1.00 34.43 O ATOM 1015 CB SER A 67 -16.194 0.302 -3.644 1.00 73.51 C ATOM 1016 OG SER A 67 -17.247 1.242 -3.523 1.00 45.20 O ATOM 0 H SER A 67 -13.941 -0.435 -4.338 1.00 54.11 H new ATOM 0 HA SER A 67 -16.406 -0.754 -5.504 1.00 54.21 H new ATOM 0 HB2 SER A 67 -16.493 -0.644 -3.193 1.00 73.51 H new ATOM 0 HB3 SER A 67 -15.322 0.655 -3.094 1.00 73.51 H new ATOM 0 HG SER A 67 -17.468 1.366 -2.576 1.00 45.20 H new ATOM 1021 N MET A 68 -15.294 2.342 -5.807 1.00 43.42 N ATOM 1022 CA MET A 68 -15.489 3.590 -6.532 1.00 34.34 C ATOM 1023 C MET A 68 -14.302 3.879 -7.446 1.00 31.33 C ATOM 1024 O MET A 68 -14.384 3.702 -8.662 1.00 2.43 O ATOM 1025 CB MET A 68 -15.685 4.750 -5.552 1.00 25.33 C ATOM 1026 CG MET A 68 -15.167 4.457 -4.154 1.00 51.15 C ATOM 1027 SD MET A 68 -15.373 5.852 -3.030 1.00 71.35 S ATOM 1028 CE MET A 68 -14.127 5.482 -1.798 1.00 43.34 C ATOM 0 H MET A 68 -14.463 2.323 -5.215 1.00 43.42 H new ATOM 0 HA MET A 68 -16.383 3.487 -7.147 1.00 34.34 H new ATOM 0 HB2 MET A 68 -15.178 5.633 -5.941 1.00 25.33 H new ATOM 0 HB3 MET A 68 -16.746 4.991 -5.494 1.00 25.33 H new ATOM 0 HG2 MET A 68 -15.691 3.590 -3.751 1.00 51.15 H new ATOM 0 HG3 MET A 68 -14.111 4.193 -4.210 1.00 51.15 H new ATOM 0 HE1 MET A 68 -14.131 6.257 -1.032 1.00 43.34 H new ATOM 0 HE2 MET A 68 -14.344 4.517 -1.339 1.00 43.34 H new ATOM 0 HE3 MET A 68 -13.146 5.446 -2.272 1.00 43.34 H new ATOM 1036 N LYS A 69 -13.199 4.324 -6.854 1.00 23.42 N ATOM 1037 CA LYS A 69 -11.994 4.635 -7.615 1.00 11.33 C ATOM 1038 C LYS A 69 -10.810 3.812 -7.120 1.00 41.01 C ATOM 1039 O LYS A 69 -10.536 3.759 -5.921 1.00 22.42 O ATOM 1040 CB LYS A 69 -11.671 6.127 -7.510 1.00 1.24 C ATOM 1041 CG LYS A 69 -12.410 6.982 -8.525 1.00 72.42 C ATOM 1042 CD LYS A 69 -11.862 6.779 -9.928 1.00 25.52 C ATOM 1043 CE LYS A 69 -11.535 8.105 -10.596 1.00 74.41 C ATOM 1044 NZ LYS A 69 -12.752 8.937 -10.804 1.00 10.10 N ATOM 0 H LYS A 69 -13.114 4.478 -5.849 1.00 23.42 H new ATOM 0 HA LYS A 69 -12.178 4.382 -8.659 1.00 11.33 H new ATOM 0 HB2 LYS A 69 -11.918 6.474 -6.507 1.00 1.24 H new ATOM 0 HB3 LYS A 69 -10.598 6.268 -7.641 1.00 1.24 H new ATOM 0 HG2 LYS A 69 -13.471 6.733 -8.508 1.00 72.42 H new ATOM 0 HG3 LYS A 69 -12.324 8.033 -8.248 1.00 72.42 H new ATOM 0 HD2 LYS A 69 -10.965 6.162 -9.883 1.00 25.52 H new ATOM 0 HD3 LYS A 69 -12.592 6.237 -10.530 1.00 25.52 H new ATOM 0 HE2 LYS A 69 -10.820 8.654 -9.983 1.00 74.41 H new ATOM 0 HE3 LYS A 69 -11.054 7.919 -11.556 1.00 74.41 H new ATOM 0 HZ1 LYS A 69 -12.486 9.832 -11.262 1.00 10.10 H new ATOM 0 HZ2 LYS A 69 -13.424 8.424 -11.410 1.00 10.10 H new ATOM 0 HZ3 LYS A 69 -13.197 9.137 -9.886 1.00 10.10 H new ATOM 1054 N GLY A 70 -10.109 3.171 -8.051 1.00 4.41 N ATOM 1055 CA GLY A 70 -8.962 2.360 -7.689 1.00 31.21 C ATOM 1056 C GLY A 70 -7.884 3.162 -6.987 1.00 63.12 C ATOM 1057 O GLY A 70 -7.960 3.395 -5.780 1.00 11.43 O ATOM 0 H GLY A 70 -10.316 3.199 -9.049 1.00 4.41 H new ATOM 0 HA2 GLY A 70 -9.286 1.547 -7.040 1.00 31.21 H new ATOM 0 HA3 GLY A 70 -8.545 1.904 -8.587 1.00 31.21 H new ATOM 1061 N LEU A 71 -6.875 3.583 -7.742 1.00 41.31 N ATOM 1062 CA LEU A 71 -5.776 4.362 -7.184 1.00 75.22 C ATOM 1063 C LEU A 71 -6.202 5.805 -6.932 1.00 31.44 C ATOM 1064 O LEU A 71 -5.533 6.544 -6.212 1.00 75.43 O ATOM 1065 CB LEU A 71 -4.573 4.332 -8.129 1.00 23.23 C ATOM 1066 CG LEU A 71 -3.286 3.735 -7.559 1.00 21.52 C ATOM 1067 CD1 LEU A 71 -3.421 2.229 -7.400 1.00 63.44 C ATOM 1068 CD2 LEU A 71 -2.099 4.076 -8.450 1.00 4.22 C ATOM 0 H LEU A 71 -6.796 3.398 -8.742 1.00 41.31 H new ATOM 0 HA LEU A 71 -5.494 3.915 -6.231 1.00 75.22 H new ATOM 0 HB2 LEU A 71 -4.849 3.766 -9.019 1.00 23.23 H new ATOM 0 HB3 LEU A 71 -4.365 5.352 -8.452 1.00 23.23 H new ATOM 0 HG LEU A 71 -3.112 4.169 -6.574 1.00 21.52 H new ATOM 0 HD11 LEU A 71 -2.495 1.822 -6.993 1.00 63.44 H new ATOM 0 HD12 LEU A 71 -4.244 2.007 -6.721 1.00 63.44 H new ATOM 0 HD13 LEU A 71 -3.620 1.777 -8.372 1.00 63.44 H new ATOM 0 HD21 LEU A 71 -1.192 3.643 -8.029 1.00 4.22 H new ATOM 0 HD22 LEU A 71 -2.265 3.671 -9.448 1.00 4.22 H new ATOM 0 HD23 LEU A 71 -1.990 5.159 -8.512 1.00 4.22 H new ATOM 1079 N ASP A 72 -7.323 6.197 -7.529 1.00 21.25 N ATOM 1080 CA ASP A 72 -7.842 7.550 -7.367 1.00 11.51 C ATOM 1081 C ASP A 72 -8.557 7.701 -6.028 1.00 73.34 C ATOM 1082 O ASP A 72 -9.053 8.778 -5.693 1.00 71.54 O ATOM 1083 CB ASP A 72 -8.798 7.893 -8.510 1.00 73.43 C ATOM 1084 CG ASP A 72 -8.157 8.791 -9.550 1.00 33.12 C ATOM 1085 OD1 ASP A 72 -8.219 10.028 -9.385 1.00 64.15 O ATOM 1086 OD2 ASP A 72 -7.595 8.259 -10.530 1.00 24.51 O ATOM 0 H ASP A 72 -7.889 5.597 -8.129 1.00 21.25 H new ATOM 0 HA ASP A 72 -6.999 8.241 -7.389 1.00 11.51 H new ATOM 0 HB2 ASP A 72 -9.135 6.973 -8.987 1.00 73.43 H new ATOM 0 HB3 ASP A 72 -9.683 8.385 -8.105 1.00 73.43 H new ATOM 1090 N THR A 73 -8.608 6.614 -5.264 1.00 33.32 N ATOM 1091 CA THR A 73 -9.264 6.625 -3.963 1.00 41.13 C ATOM 1092 C THR A 73 -8.600 7.624 -3.021 1.00 4.44 C ATOM 1093 O THR A 73 -7.380 7.632 -2.871 1.00 72.30 O ATOM 1094 CB THR A 73 -9.241 5.229 -3.310 1.00 24.34 C ATOM 1095 OG1 THR A 73 -10.496 4.571 -3.519 1.00 70.44 O ATOM 1096 CG2 THR A 73 -8.959 5.332 -1.819 1.00 71.43 C ATOM 0 H THR A 73 -8.203 5.715 -5.524 1.00 33.32 H new ATOM 0 HA THR A 73 -10.299 6.922 -4.134 1.00 41.13 H new ATOM 0 HB THR A 73 -8.444 4.648 -3.774 1.00 24.34 H new ATOM 0 HG1 THR A 73 -10.719 4.587 -4.473 1.00 70.44 H new ATOM 0 HG21 THR A 73 -8.948 4.334 -1.381 1.00 71.43 H new ATOM 0 HG22 THR A 73 -7.990 5.807 -1.664 1.00 71.43 H new ATOM 0 HG23 THR A 73 -9.736 5.929 -1.342 1.00 71.43 H new ATOM 1104 N GLU A 74 -9.415 8.463 -2.388 1.00 60.04 N ATOM 1105 CA GLU A 74 -8.905 9.466 -1.461 1.00 53.31 C ATOM 1106 C GLU A 74 -8.849 8.914 -0.039 1.00 51.31 C ATOM 1107 O GLU A 74 -9.651 8.057 0.338 1.00 74.43 O ATOM 1108 CB GLU A 74 -9.782 10.719 -1.498 1.00 31.31 C ATOM 1109 CG GLU A 74 -11.258 10.437 -1.274 1.00 43.13 C ATOM 1110 CD GLU A 74 -12.085 11.704 -1.168 1.00 70.03 C ATOM 1111 OE1 GLU A 74 -11.668 12.623 -0.432 1.00 2.11 O ATOM 1112 OE2 GLU A 74 -13.147 11.776 -1.819 1.00 31.22 O ATOM 0 H GLU A 74 -10.429 8.468 -2.500 1.00 60.04 H new ATOM 0 HA GLU A 74 -7.894 9.729 -1.771 1.00 53.31 H new ATOM 0 HB2 GLU A 74 -9.435 11.418 -0.737 1.00 31.31 H new ATOM 0 HB3 GLU A 74 -9.657 11.211 -2.463 1.00 31.31 H new ATOM 0 HG2 GLU A 74 -11.636 9.828 -2.095 1.00 43.13 H new ATOM 0 HG3 GLU A 74 -11.378 9.852 -0.362 1.00 43.13 H new ATOM 1117 N ILE A 75 -7.898 9.410 0.745 1.00 62.34 N ATOM 1118 CA ILE A 75 -7.738 8.967 2.124 1.00 42.24 C ATOM 1119 C ILE A 75 -7.397 10.136 3.041 1.00 54.13 C ATOM 1120 O ILE A 75 -6.492 10.921 2.756 1.00 73.42 O ATOM 1121 CB ILE A 75 -6.638 7.896 2.248 1.00 62.10 C ATOM 1122 CG1 ILE A 75 -5.382 8.334 1.491 1.00 41.12 C ATOM 1123 CG2 ILE A 75 -7.140 6.558 1.723 1.00 74.50 C ATOM 1124 CD1 ILE A 75 -4.251 7.332 1.568 1.00 60.53 C ATOM 0 H ILE A 75 -7.227 10.119 0.449 1.00 62.34 H new ATOM 0 HA ILE A 75 -8.691 8.535 2.428 1.00 42.24 H new ATOM 0 HB ILE A 75 -6.382 7.778 3.301 1.00 62.10 H new ATOM 0 HG12 ILE A 75 -5.638 8.502 0.445 1.00 41.12 H new ATOM 0 HG13 ILE A 75 -5.040 9.288 1.892 1.00 41.12 H new ATOM 0 HG21 ILE A 75 -6.352 5.811 1.817 1.00 74.50 H new ATOM 0 HG22 ILE A 75 -8.009 6.243 2.301 1.00 74.50 H new ATOM 0 HG23 ILE A 75 -7.419 6.660 0.674 1.00 74.50 H new ATOM 0 HD11 ILE A 75 -3.394 7.708 1.010 1.00 60.53 H new ATOM 0 HD12 ILE A 75 -3.968 7.182 2.610 1.00 60.53 H new ATOM 0 HD13 ILE A 75 -4.575 6.383 1.140 1.00 60.53 H new ATOM 1135 N LYS A 76 -8.126 10.247 4.146 1.00 1.13 N ATOM 1136 CA LYS A 76 -7.901 11.320 5.108 1.00 45.24 C ATOM 1137 C LYS A 76 -7.145 10.804 6.330 1.00 3.12 C ATOM 1138 O LYS A 76 -6.901 9.605 6.460 1.00 23.42 O ATOM 1139 CB LYS A 76 -9.235 11.932 5.542 1.00 20.40 C ATOM 1140 CG LYS A 76 -10.022 12.546 4.398 1.00 25.33 C ATOM 1141 CD LYS A 76 -9.549 13.955 4.087 1.00 21.42 C ATOM 1142 CE LYS A 76 -8.486 13.959 2.999 1.00 25.23 C ATOM 1143 NZ LYS A 76 -8.555 15.187 2.159 1.00 10.23 N ATOM 0 H LYS A 76 -8.879 9.606 4.398 1.00 1.13 H new ATOM 0 HA LYS A 76 -7.296 12.087 4.625 1.00 45.24 H new ATOM 0 HB2 LYS A 76 -9.842 11.161 6.017 1.00 20.40 H new ATOM 0 HB3 LYS A 76 -9.046 12.698 6.295 1.00 20.40 H new ATOM 0 HG2 LYS A 76 -9.920 11.923 3.510 1.00 25.33 H new ATOM 0 HG3 LYS A 76 -11.081 12.565 4.654 1.00 25.33 H new ATOM 0 HD2 LYS A 76 -10.397 14.563 3.771 1.00 21.42 H new ATOM 0 HD3 LYS A 76 -9.148 14.413 4.991 1.00 21.42 H new ATOM 0 HE2 LYS A 76 -7.499 13.887 3.456 1.00 25.23 H new ATOM 0 HE3 LYS A 76 -8.610 13.080 2.367 1.00 25.23 H new ATOM 0 HZ1 LYS A 76 -7.814 15.151 1.430 1.00 10.23 H new ATOM 0 HZ2 LYS A 76 -9.488 15.243 1.703 1.00 10.23 H new ATOM 0 HZ3 LYS A 76 -8.411 16.025 2.757 1.00 10.23 H new ATOM 1153 N ASP A 77 -6.780 11.718 7.222 1.00 1.42 N ATOM 1154 CA ASP A 77 -6.055 11.355 8.434 1.00 1.20 C ATOM 1155 C ASP A 77 -6.769 10.233 9.180 1.00 3.44 C ATOM 1156 O ASP A 77 -6.138 9.429 9.866 1.00 55.22 O ATOM 1157 CB ASP A 77 -5.902 12.574 9.346 1.00 24.22 C ATOM 1158 CG ASP A 77 -7.214 12.988 9.983 1.00 54.42 C ATOM 1159 OD1 ASP A 77 -8.208 13.146 9.245 1.00 3.10 O ATOM 1160 OD2 ASP A 77 -7.246 13.156 11.221 1.00 64.51 O ATOM 0 H ASP A 77 -6.974 12.715 7.129 1.00 1.42 H new ATOM 0 HA ASP A 77 -5.066 11.001 8.144 1.00 1.20 H new ATOM 0 HB2 ASP A 77 -5.176 12.350 10.128 1.00 24.22 H new ATOM 0 HB3 ASP A 77 -5.502 13.408 8.769 1.00 24.22 H new ATOM 1164 N ASP A 78 -8.090 10.184 9.041 1.00 34.01 N ATOM 1165 CA ASP A 78 -8.891 9.161 9.703 1.00 23.44 C ATOM 1166 C ASP A 78 -8.755 7.819 8.989 1.00 72.52 C ATOM 1167 O ASP A 78 -8.669 6.771 9.627 1.00 45.40 O ATOM 1168 CB ASP A 78 -10.360 9.581 9.745 1.00 13.45 C ATOM 1169 CG ASP A 78 -10.619 10.677 10.762 1.00 24.22 C ATOM 1170 OD1 ASP A 78 -10.581 10.381 11.975 1.00 31.32 O ATOM 1171 OD2 ASP A 78 -10.862 11.829 10.345 1.00 64.34 O ATOM 0 H ASP A 78 -8.628 10.841 8.476 1.00 34.01 H new ATOM 0 HA ASP A 78 -8.523 9.050 10.723 1.00 23.44 H new ATOM 0 HB2 ASP A 78 -10.665 9.926 8.757 1.00 13.45 H new ATOM 0 HB3 ASP A 78 -10.976 8.714 9.984 1.00 13.45 H new ATOM 1175 N ASP A 79 -8.735 7.860 7.661 1.00 32.42 N ATOM 1176 CA ASP A 79 -8.609 6.649 6.859 1.00 40.20 C ATOM 1177 C ASP A 79 -7.405 5.825 7.305 1.00 41.41 C ATOM 1178 O ASP A 79 -6.421 6.367 7.811 1.00 2.13 O ATOM 1179 CB ASP A 79 -8.479 7.003 5.377 1.00 51.43 C ATOM 1180 CG ASP A 79 -9.807 7.392 4.757 1.00 74.41 C ATOM 1181 OD1 ASP A 79 -10.625 8.028 5.455 1.00 63.33 O ATOM 1182 OD2 ASP A 79 -10.027 7.063 3.572 1.00 50.41 O ATOM 0 H ASP A 79 -8.805 8.720 7.117 1.00 32.42 H new ATOM 0 HA ASP A 79 -9.510 6.052 7.004 1.00 40.20 H new ATOM 0 HB2 ASP A 79 -7.773 7.826 5.263 1.00 51.43 H new ATOM 0 HB3 ASP A 79 -8.065 6.151 4.838 1.00 51.43 H new ATOM 1186 N LYS A 80 -7.490 4.512 7.117 1.00 35.11 N ATOM 1187 CA LYS A 80 -6.409 3.613 7.499 1.00 72.04 C ATOM 1188 C LYS A 80 -6.337 2.417 6.556 1.00 65.45 C ATOM 1189 O LYS A 80 -7.362 1.852 6.175 1.00 74.21 O ATOM 1190 CB LYS A 80 -6.604 3.130 8.938 1.00 65.34 C ATOM 1191 CG LYS A 80 -7.866 2.309 9.138 1.00 72.12 C ATOM 1192 CD LYS A 80 -8.321 2.329 10.587 1.00 50.33 C ATOM 1193 CE LYS A 80 -9.729 1.773 10.737 1.00 55.34 C ATOM 1194 NZ LYS A 80 -9.997 1.309 12.127 1.00 21.12 N ATOM 0 H LYS A 80 -8.298 4.047 6.702 1.00 35.11 H new ATOM 0 HA LYS A 80 -5.471 4.164 7.431 1.00 72.04 H new ATOM 0 HB2 LYS A 80 -5.741 2.532 9.232 1.00 65.34 H new ATOM 0 HB3 LYS A 80 -6.634 3.994 9.602 1.00 65.34 H new ATOM 0 HG2 LYS A 80 -8.660 2.700 8.501 1.00 72.12 H new ATOM 0 HG3 LYS A 80 -7.685 1.280 8.827 1.00 72.12 H new ATOM 0 HD2 LYS A 80 -7.631 1.743 11.194 1.00 50.33 H new ATOM 0 HD3 LYS A 80 -8.290 3.351 10.965 1.00 50.33 H new ATOM 0 HE2 LYS A 80 -10.453 2.540 10.464 1.00 55.34 H new ATOM 0 HE3 LYS A 80 -9.868 0.943 10.044 1.00 55.34 H new ATOM 0 HZ1 LYS A 80 -10.966 0.937 12.188 1.00 21.12 H new ATOM 0 HZ2 LYS A 80 -9.322 0.559 12.379 1.00 21.12 H new ATOM 0 HZ3 LYS A 80 -9.890 2.106 12.786 1.00 21.12 H new ATOM 1204 N ILE A 81 -5.119 2.034 6.184 1.00 32.51 N ATOM 1205 CA ILE A 81 -4.915 0.904 5.287 1.00 42.22 C ATOM 1206 C ILE A 81 -4.437 -0.325 6.053 1.00 23.22 C ATOM 1207 O ILE A 81 -3.614 -0.222 6.962 1.00 10.33 O ATOM 1208 CB ILE A 81 -3.892 1.237 4.185 1.00 21.34 C ATOM 1209 CG1 ILE A 81 -4.296 2.521 3.455 1.00 51.34 C ATOM 1210 CG2 ILE A 81 -3.774 0.080 3.204 1.00 22.33 C ATOM 1211 CD1 ILE A 81 -3.621 3.761 3.998 1.00 60.52 C ATOM 0 H ILE A 81 -4.260 2.490 6.490 1.00 32.51 H new ATOM 0 HA ILE A 81 -5.878 0.690 4.824 1.00 42.22 H new ATOM 0 HB ILE A 81 -2.919 1.395 4.650 1.00 21.34 H new ATOM 0 HG12 ILE A 81 -4.055 2.419 2.397 1.00 51.34 H new ATOM 0 HG13 ILE A 81 -5.377 2.645 3.525 1.00 51.34 H new ATOM 0 HG21 ILE A 81 -3.047 0.331 2.431 1.00 22.33 H new ATOM 0 HG22 ILE A 81 -3.446 -0.814 3.734 1.00 22.33 H new ATOM 0 HG23 ILE A 81 -4.744 -0.107 2.743 1.00 22.33 H new ATOM 0 HD11 ILE A 81 -3.953 4.633 3.434 1.00 60.52 H new ATOM 0 HD12 ILE A 81 -3.882 3.887 5.049 1.00 60.52 H new ATOM 0 HD13 ILE A 81 -2.540 3.658 3.903 1.00 60.52 H new ATOM 1222 N ASP A 82 -4.957 -1.488 5.676 1.00 5.50 N ATOM 1223 CA ASP A 82 -4.582 -2.739 6.325 1.00 63.33 C ATOM 1224 C ASP A 82 -4.235 -3.806 5.291 1.00 12.23 C ATOM 1225 O ASP A 82 -4.871 -3.895 4.239 1.00 62.11 O ATOM 1226 CB ASP A 82 -5.717 -3.232 7.224 1.00 65.21 C ATOM 1227 CG ASP A 82 -5.207 -3.957 8.455 1.00 10.54 C ATOM 1228 OD1 ASP A 82 -4.082 -4.495 8.403 1.00 21.12 O ATOM 1229 OD2 ASP A 82 -5.935 -3.986 9.470 1.00 12.10 O ATOM 0 H ASP A 82 -5.639 -1.591 4.925 1.00 5.50 H new ATOM 0 HA ASP A 82 -3.699 -2.552 6.937 1.00 63.33 H new ATOM 0 HB2 ASP A 82 -6.327 -2.383 7.532 1.00 65.21 H new ATOM 0 HB3 ASP A 82 -6.364 -3.899 6.655 1.00 65.21 H new ATOM 1233 N LEU A 83 -3.224 -4.611 5.595 1.00 33.54 N ATOM 1234 CA LEU A 83 -2.791 -5.671 4.691 1.00 71.10 C ATOM 1235 C LEU A 83 -3.063 -7.045 5.294 1.00 25.54 C ATOM 1236 O LEU A 83 -2.612 -7.352 6.397 1.00 72.13 O ATOM 1237 CB LEU A 83 -1.301 -5.525 4.378 1.00 61.43 C ATOM 1238 CG LEU A 83 -0.777 -6.357 3.206 1.00 50.11 C ATOM 1239 CD1 LEU A 83 -0.698 -7.827 3.588 1.00 10.42 C ATOM 1240 CD2 LEU A 83 -1.660 -6.168 1.982 1.00 60.11 C ATOM 0 H LEU A 83 -2.688 -4.550 6.461 1.00 33.54 H new ATOM 0 HA LEU A 83 -3.361 -5.581 3.766 1.00 71.10 H new ATOM 0 HB2 LEU A 83 -1.094 -4.475 4.173 1.00 61.43 H new ATOM 0 HB3 LEU A 83 -0.735 -5.793 5.270 1.00 61.43 H new ATOM 0 HG LEU A 83 0.228 -6.013 2.961 1.00 50.11 H new ATOM 0 HD11 LEU A 83 -0.323 -8.403 2.742 1.00 10.42 H new ATOM 0 HD12 LEU A 83 -0.024 -7.947 4.436 1.00 10.42 H new ATOM 0 HD13 LEU A 83 -1.691 -8.186 3.860 1.00 10.42 H new ATOM 0 HD21 LEU A 83 -1.273 -6.767 1.158 1.00 60.11 H new ATOM 0 HD22 LEU A 83 -2.677 -6.485 2.214 1.00 60.11 H new ATOM 0 HD23 LEU A 83 -1.664 -5.116 1.695 1.00 60.11 H new ATOM 1251 N PHE A 84 -3.804 -7.871 4.561 1.00 53.02 N ATOM 1252 CA PHE A 84 -4.135 -9.215 5.023 1.00 14.05 C ATOM 1253 C PHE A 84 -3.579 -10.269 4.071 1.00 52.30 C ATOM 1254 O PHE A 84 -3.677 -10.153 2.850 1.00 4.12 O ATOM 1255 CB PHE A 84 -5.651 -9.373 5.149 1.00 5.34 C ATOM 1256 CG PHE A 84 -6.314 -8.241 5.882 1.00 21.24 C ATOM 1257 CD1 PHE A 84 -5.791 -7.771 7.076 1.00 24.01 C ATOM 1258 CD2 PHE A 84 -7.459 -7.649 5.376 1.00 15.34 C ATOM 1259 CE1 PHE A 84 -6.398 -6.730 7.752 1.00 12.33 C ATOM 1260 CE2 PHE A 84 -8.071 -6.606 6.049 1.00 21.11 C ATOM 1261 CZ PHE A 84 -7.540 -6.147 7.239 1.00 22.23 C ATOM 0 H PHE A 84 -4.186 -7.633 3.646 1.00 53.02 H new ATOM 0 HA PHE A 84 -3.679 -9.360 6.002 1.00 14.05 H new ATOM 0 HB2 PHE A 84 -6.084 -9.452 4.152 1.00 5.34 H new ATOM 0 HB3 PHE A 84 -5.869 -10.307 5.666 1.00 5.34 H new ATOM 0 HD1 PHE A 84 -4.899 -8.224 7.483 1.00 24.01 H new ATOM 0 HD2 PHE A 84 -7.879 -8.005 4.447 1.00 15.34 H new ATOM 0 HE1 PHE A 84 -5.980 -6.372 8.681 1.00 12.33 H new ATOM 0 HE2 PHE A 84 -8.963 -6.151 5.644 1.00 21.11 H new ATOM 0 HZ PHE A 84 -8.017 -5.334 7.767 1.00 22.23 H new ATOM 1270 N PRO A 85 -2.980 -11.325 4.643 1.00 12.45 N ATOM 1271 CA PRO A 85 -2.397 -12.421 3.865 1.00 51.23 C ATOM 1272 C PRO A 85 -3.458 -13.273 3.176 1.00 53.22 C ATOM 1273 O PRO A 85 -4.642 -13.219 3.508 1.00 34.14 O ATOM 1274 CB PRO A 85 -1.650 -13.244 4.917 1.00 72.33 C ATOM 1275 CG PRO A 85 -2.355 -12.952 6.197 1.00 74.13 C ATOM 1276 CD PRO A 85 -2.827 -11.528 6.093 1.00 0.11 C ATOM 0 HA PRO A 85 -1.761 -12.055 3.059 1.00 51.23 H new ATOM 0 HB2 PRO A 85 -1.680 -14.308 4.682 1.00 72.33 H new ATOM 0 HB3 PRO A 85 -0.599 -12.959 4.970 1.00 72.33 H new ATOM 0 HG2 PRO A 85 -3.194 -13.632 6.344 1.00 74.13 H new ATOM 0 HG3 PRO A 85 -1.687 -13.081 7.049 1.00 74.13 H new ATOM 0 HD2 PRO A 85 -3.768 -11.377 6.622 1.00 0.11 H new ATOM 0 HD3 PRO A 85 -2.105 -10.833 6.522 1.00 0.11 H new ATOM 1281 N PRO A 86 -3.026 -14.079 2.196 1.00 51.10 N ATOM 1282 CA PRO A 86 -3.924 -14.958 1.441 1.00 73.33 C ATOM 1283 C PRO A 86 -4.454 -16.110 2.288 1.00 31.01 C ATOM 1284 O PRO A 86 -3.788 -16.568 3.217 1.00 1.22 O ATOM 1285 CB PRO A 86 -3.036 -15.489 0.312 1.00 53.53 C ATOM 1286 CG PRO A 86 -1.649 -15.401 0.850 1.00 75.51 C ATOM 1287 CD PRO A 86 -1.628 -14.195 1.748 1.00 52.13 C ATOM 0 HA PRO A 86 -4.811 -14.430 1.091 1.00 73.33 H new ATOM 0 HB2 PRO A 86 -3.296 -16.515 0.053 1.00 53.53 H new ATOM 0 HB3 PRO A 86 -3.148 -14.893 -0.594 1.00 53.53 H new ATOM 0 HG2 PRO A 86 -1.387 -16.303 1.402 1.00 75.51 H new ATOM 0 HG3 PRO A 86 -0.923 -15.299 0.043 1.00 75.51 H new ATOM 0 HD2 PRO A 86 -0.947 -14.331 2.588 1.00 52.13 H new ATOM 0 HD3 PRO A 86 -1.302 -13.302 1.214 1.00 52.13 H new ATOM 1292 N VAL A 87 -5.655 -16.575 1.960 1.00 43.51 N ATOM 1293 CA VAL A 87 -6.274 -17.676 2.691 1.00 74.11 C ATOM 1294 C VAL A 87 -5.375 -18.907 2.694 1.00 74.24 C ATOM 1295 O VAL A 87 -5.441 -19.734 3.604 1.00 31.24 O ATOM 1296 CB VAL A 87 -7.640 -18.052 2.086 1.00 53.25 C ATOM 1297 CG1 VAL A 87 -8.678 -16.989 2.410 1.00 22.33 C ATOM 1298 CG2 VAL A 87 -7.520 -18.254 0.583 1.00 54.11 C ATOM 0 H VAL A 87 -6.219 -16.207 1.194 1.00 43.51 H new ATOM 0 HA VAL A 87 -6.420 -17.334 3.716 1.00 74.11 H new ATOM 0 HB VAL A 87 -7.968 -18.992 2.529 1.00 53.25 H new ATOM 0 HG11 VAL A 87 -9.636 -17.272 1.975 1.00 22.33 H new ATOM 0 HG12 VAL A 87 -8.783 -16.900 3.491 1.00 22.33 H new ATOM 0 HG13 VAL A 87 -8.360 -16.032 1.997 1.00 22.33 H new ATOM 0 HG21 VAL A 87 -8.494 -18.519 0.173 1.00 54.11 H new ATOM 0 HG22 VAL A 87 -7.169 -17.332 0.119 1.00 54.11 H new ATOM 0 HG23 VAL A 87 -6.810 -19.056 0.379 1.00 54.11 H new ATOM 1308 N ALA A 88 -4.535 -19.023 1.671 1.00 75.33 N ATOM 1309 CA ALA A 88 -3.620 -20.152 1.557 1.00 54.03 C ATOM 1310 C ALA A 88 -2.177 -19.713 1.778 1.00 73.21 C ATOM 1311 O ALA A 88 -1.275 -20.117 1.044 1.00 42.51 O ATOM 1312 CB ALA A 88 -3.769 -20.817 0.198 1.00 31.42 C ATOM 0 H ALA A 88 -4.469 -18.348 0.909 1.00 75.33 H new ATOM 0 HA ALA A 88 -3.875 -20.874 2.332 1.00 54.03 H new ATOM 0 HB1 ALA A 88 -3.080 -21.658 0.127 1.00 31.42 H new ATOM 0 HB2 ALA A 88 -4.792 -21.175 0.078 1.00 31.42 H new ATOM 0 HB3 ALA A 88 -3.543 -20.095 -0.587 1.00 31.42 H new