USER MOD reduce.3.24.130724 H: found=0, std=0, add=683, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 683 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 7 LYS NZ :NH3+ 156:sc= 0.711 (180deg=0.535) USER MOD Set 1.2: A 77 SER OG : rot -14:sc= 0.0858 USER MOD Single : A 9 LYS NZ :NH3+ -157:sc= 1.2 (180deg=0.592) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 MET CE :methyl -163:sc= 0 (180deg=-0.134) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 162:sc= 0.347 (180deg=0.202) USER MOD Single : A 31 GLN :FLIP amide:sc= -0.0163 F(o=-0.82,f=-0.016) USER MOD Single : A 32 THR OG1 : rot 180:sc= -2.21! USER MOD Single : A 41 ASN : amide:sc= -0.852 K(o=-0.85,f=-4.7!) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 MET CE :methyl 171:sc= -0.29 (180deg=-0.474) USER MOD Single : A 44 ASN : amide:sc= -0.31 K(o=-0.31,f=-5.4!) USER MOD Single : A 47 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0126) USER MOD Single : A 49 MET CE :methyl -136:sc= -2.76! (180deg=-3.66!) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 MET CE :methyl -175:sc= -3.88! (180deg=-3.91!) USER MOD Single : A 59 SER OG : rot 35:sc= 0.127 USER MOD Single : A 62 SER OG : rot 180:sc= 0.0148 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 HIS : no HD1:sc= -0.845 X(o=-0.84,f=-0.99) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ -140:sc= -0.531 (180deg=-2.44!) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 172:sc=-0.00127 (180deg=-0.097) USER MOD Single : A 74 ASN : amide:sc= -1.37! X(o=-1.4!,f=-1.2) USER MOD Single : A 79 THR OG1 : rot -107:sc= 0.708 USER MOD Single : A 82 GLN : amide:sc= -0.232 K(o=-0.23,f=-2.3!) USER MOD Single : A 84 LYS NZ :NH3+ 135:sc= 0.879 (180deg=-0.23) USER MOD ----------------------------------------------------------------- ATOM 39 N GLU A 4 -1.349 11.788 -2.748 1.00 31.32 N ATOM 40 CA GLU A 4 -1.695 11.104 -4.025 1.00 45.55 C ATOM 41 C GLU A 4 -0.457 10.799 -4.869 1.00 71.23 C ATOM 42 O GLU A 4 -0.420 9.783 -5.581 1.00 21.21 O ATOM 43 CB GLU A 4 -2.711 11.943 -4.844 1.00 55.14 C ATOM 44 CG GLU A 4 -4.011 12.281 -4.073 1.00 43.23 C ATOM 45 CD GLU A 4 -5.268 12.276 -4.963 1.00 0.44 C ATOM 46 OE1 GLU A 4 -5.341 13.101 -5.905 1.00 63.14 O ATOM 47 OE2 GLU A 4 -6.171 11.435 -4.737 1.00 40.11 O ATOM 0 HA GLU A 4 -2.155 10.152 -3.760 1.00 45.55 H new ATOM 0 HB2 GLU A 4 -2.233 12.872 -5.155 1.00 55.14 H new ATOM 0 HB3 GLU A 4 -2.970 11.398 -5.752 1.00 55.14 H new ATOM 0 HG2 GLU A 4 -4.144 11.561 -3.266 1.00 43.23 H new ATOM 0 HG3 GLU A 4 -3.906 13.263 -3.611 1.00 43.23 H new ATOM 54 N GLU A 5 0.542 11.689 -4.770 1.00 61.02 N ATOM 55 CA GLU A 5 1.842 11.554 -5.460 1.00 53.32 C ATOM 56 C GLU A 5 2.536 10.245 -5.071 1.00 43.32 C ATOM 57 O GLU A 5 3.222 9.632 -5.887 1.00 73.33 O ATOM 58 CB GLU A 5 2.722 12.785 -5.128 1.00 44.53 C ATOM 59 CG GLU A 5 4.152 12.806 -5.704 1.00 52.04 C ATOM 60 CD GLU A 5 4.259 12.495 -7.209 1.00 21.52 C ATOM 61 OE1 GLU A 5 3.716 13.268 -8.032 1.00 1.53 O ATOM 62 OE2 GLU A 5 4.905 11.483 -7.565 1.00 42.45 O ATOM 0 H GLU A 5 0.473 12.534 -4.203 1.00 61.02 H new ATOM 0 HA GLU A 5 1.679 11.518 -6.537 1.00 53.32 H new ATOM 0 HB2 GLU A 5 2.203 13.676 -5.481 1.00 44.53 H new ATOM 0 HB3 GLU A 5 2.794 12.866 -4.043 1.00 44.53 H new ATOM 0 HG2 GLU A 5 4.586 13.789 -5.521 1.00 52.04 H new ATOM 0 HG3 GLU A 5 4.757 12.084 -5.156 1.00 52.04 H new ATOM 69 N VAL A 6 2.339 9.812 -3.824 1.00 34.41 N ATOM 70 CA VAL A 6 2.912 8.557 -3.342 1.00 24.44 C ATOM 71 C VAL A 6 2.020 7.347 -3.665 1.00 10.32 C ATOM 72 O VAL A 6 2.552 6.272 -3.925 1.00 51.24 O ATOM 73 CB VAL A 6 3.254 8.612 -1.822 1.00 2.23 C ATOM 74 CG1 VAL A 6 2.014 8.904 -0.951 1.00 42.32 C ATOM 75 CG2 VAL A 6 3.967 7.319 -1.384 1.00 41.42 C ATOM 0 H VAL A 6 1.786 10.314 -3.130 1.00 34.41 H new ATOM 0 HA VAL A 6 3.849 8.424 -3.883 1.00 24.44 H new ATOM 0 HB VAL A 6 3.937 9.448 -1.668 1.00 2.23 H new ATOM 0 HG11 VAL A 6 2.305 8.932 0.099 1.00 42.32 H new ATOM 0 HG12 VAL A 6 1.588 9.866 -1.235 1.00 42.32 H new ATOM 0 HG13 VAL A 6 1.271 8.120 -1.101 1.00 42.32 H new ATOM 0 HG21 VAL A 6 4.199 7.374 -0.320 1.00 41.42 H new ATOM 0 HG22 VAL A 6 3.317 6.464 -1.570 1.00 41.42 H new ATOM 0 HG23 VAL A 6 4.891 7.203 -1.951 1.00 41.42 H new ATOM 85 N LYS A 7 0.678 7.524 -3.669 1.00 52.34 N ATOM 86 CA LYS A 7 -0.271 6.399 -3.907 1.00 11.04 C ATOM 87 C LYS A 7 -0.016 5.701 -5.252 1.00 72.00 C ATOM 88 O LYS A 7 -0.003 4.466 -5.331 1.00 13.42 O ATOM 89 CB LYS A 7 -1.746 6.861 -3.822 1.00 5.33 C ATOM 90 CG LYS A 7 -2.257 7.162 -2.403 1.00 33.01 C ATOM 91 CD LYS A 7 -3.778 7.451 -2.378 1.00 32.41 C ATOM 92 CE LYS A 7 -4.211 8.586 -3.323 1.00 71.32 C ATOM 93 NZ LYS A 7 -5.667 8.871 -3.240 1.00 64.13 N ATOM 0 H LYS A 7 0.226 8.425 -3.512 1.00 52.34 H new ATOM 0 HA LYS A 7 -0.090 5.677 -3.111 1.00 11.04 H new ATOM 0 HB2 LYS A 7 -1.865 7.757 -4.431 1.00 5.33 H new ATOM 0 HB3 LYS A 7 -2.378 6.090 -4.262 1.00 5.33 H new ATOM 0 HG2 LYS A 7 -2.039 6.315 -1.753 1.00 33.01 H new ATOM 0 HG3 LYS A 7 -1.719 8.020 -1.999 1.00 33.01 H new ATOM 0 HD2 LYS A 7 -4.315 6.542 -2.647 1.00 32.41 H new ATOM 0 HD3 LYS A 7 -4.073 7.706 -1.360 1.00 32.41 H new ATOM 0 HE2 LYS A 7 -3.653 9.490 -3.080 1.00 71.32 H new ATOM 0 HE3 LYS A 7 -3.954 8.319 -4.348 1.00 71.32 H new ATOM 0 HZ1 LYS A 7 -5.848 9.848 -3.548 1.00 64.13 H new ATOM 0 HZ2 LYS A 7 -6.185 8.212 -3.856 1.00 64.13 H new ATOM 0 HZ3 LYS A 7 -5.988 8.753 -2.258 1.00 64.13 H new ATOM 107 N GLU A 8 0.165 6.503 -6.301 1.00 42.12 N ATOM 108 CA GLU A 8 0.540 5.996 -7.629 1.00 25.22 C ATOM 109 C GLU A 8 1.893 5.234 -7.560 1.00 43.33 C ATOM 110 O GLU A 8 2.043 4.174 -8.174 1.00 71.34 O ATOM 111 CB GLU A 8 0.584 7.165 -8.634 1.00 33.32 C ATOM 112 CG GLU A 8 1.578 8.277 -8.255 1.00 33.23 C ATOM 113 CD GLU A 8 1.516 9.486 -9.194 1.00 74.41 C ATOM 114 OE1 GLU A 8 2.006 9.385 -10.344 1.00 13.21 O ATOM 115 OE2 GLU A 8 0.941 10.526 -8.810 1.00 52.20 O ATOM 0 H GLU A 8 0.058 7.516 -6.259 1.00 42.12 H new ATOM 0 HA GLU A 8 -0.209 5.283 -7.973 1.00 25.22 H new ATOM 0 HB2 GLU A 8 0.847 6.776 -9.618 1.00 33.32 H new ATOM 0 HB3 GLU A 8 -0.413 7.596 -8.718 1.00 33.32 H new ATOM 0 HG2 GLU A 8 1.375 8.606 -7.236 1.00 33.23 H new ATOM 0 HG3 GLU A 8 2.589 7.870 -8.263 1.00 33.23 H new ATOM 122 N LYS A 9 2.841 5.757 -6.751 1.00 22.53 N ATOM 123 CA LYS A 9 4.166 5.136 -6.542 1.00 0.35 C ATOM 124 C LYS A 9 4.081 3.856 -5.701 1.00 50.41 C ATOM 125 O LYS A 9 4.999 3.051 -5.752 1.00 2.23 O ATOM 126 CB LYS A 9 5.158 6.122 -5.877 1.00 64.30 C ATOM 127 CG LYS A 9 5.437 7.409 -6.674 1.00 75.24 C ATOM 128 CD LYS A 9 6.582 8.247 -6.059 1.00 2.40 C ATOM 129 CE LYS A 9 6.348 8.666 -4.598 1.00 32.34 C ATOM 130 NZ LYS A 9 7.479 9.480 -4.085 1.00 5.12 N ATOM 0 H LYS A 9 2.708 6.621 -6.225 1.00 22.53 H new ATOM 0 HA LYS A 9 4.535 4.872 -7.533 1.00 0.35 H new ATOM 0 HB2 LYS A 9 4.769 6.398 -4.897 1.00 64.30 H new ATOM 0 HB3 LYS A 9 6.103 5.605 -5.711 1.00 64.30 H new ATOM 0 HG2 LYS A 9 5.692 7.149 -7.701 1.00 75.24 H new ATOM 0 HG3 LYS A 9 4.530 8.012 -6.714 1.00 75.24 H new ATOM 0 HD2 LYS A 9 7.507 7.673 -6.116 1.00 2.40 H new ATOM 0 HD3 LYS A 9 6.725 9.143 -6.663 1.00 2.40 H new ATOM 0 HE2 LYS A 9 5.423 9.237 -4.525 1.00 32.34 H new ATOM 0 HE3 LYS A 9 6.225 7.778 -3.978 1.00 32.34 H new ATOM 0 HZ1 LYS A 9 7.505 9.423 -3.047 1.00 5.12 H new ATOM 0 HZ2 LYS A 9 8.373 9.117 -4.474 1.00 5.12 H new ATOM 0 HZ3 LYS A 9 7.353 10.471 -4.374 1.00 5.12 H new ATOM 144 N ILE A 10 2.997 3.690 -4.914 1.00 1.12 N ATOM 145 CA ILE A 10 2.753 2.450 -4.141 1.00 54.04 C ATOM 146 C ILE A 10 2.543 1.303 -5.121 1.00 13.44 C ATOM 147 O ILE A 10 3.292 0.328 -5.122 1.00 63.21 O ATOM 148 CB ILE A 10 1.491 2.574 -3.198 1.00 21.11 C ATOM 149 CG1 ILE A 10 1.648 3.732 -2.166 1.00 23.41 C ATOM 150 CG2 ILE A 10 1.154 1.242 -2.487 1.00 10.35 C ATOM 151 CD1 ILE A 10 2.888 3.663 -1.294 1.00 12.23 C ATOM 0 H ILE A 10 2.274 4.400 -4.796 1.00 1.12 H new ATOM 0 HA ILE A 10 3.618 2.268 -3.504 1.00 54.04 H new ATOM 0 HB ILE A 10 0.649 2.817 -3.846 1.00 21.11 H new ATOM 0 HG12 ILE A 10 1.657 4.679 -2.706 1.00 23.41 H new ATOM 0 HG13 ILE A 10 0.770 3.742 -1.520 1.00 23.41 H new ATOM 0 HG21 ILE A 10 0.280 1.380 -1.851 1.00 10.35 H new ATOM 0 HG22 ILE A 10 0.943 0.475 -3.232 1.00 10.35 H new ATOM 0 HG23 ILE A 10 2.001 0.931 -1.876 1.00 10.35 H new ATOM 0 HD11 ILE A 10 2.901 4.513 -0.612 1.00 12.23 H new ATOM 0 HD12 ILE A 10 2.877 2.737 -0.719 1.00 12.23 H new ATOM 0 HD13 ILE A 10 3.777 3.689 -1.924 1.00 12.23 H new ATOM 163 N ARG A 11 1.547 1.494 -5.998 1.00 1.32 N ATOM 164 CA ARG A 11 1.144 0.498 -7.004 1.00 42.53 C ATOM 165 C ARG A 11 2.281 0.186 -7.982 1.00 61.45 C ATOM 166 O ARG A 11 2.480 -0.978 -8.326 1.00 20.10 O ATOM 167 CB ARG A 11 -0.142 0.965 -7.728 1.00 22.44 C ATOM 168 CG ARG A 11 -1.376 1.014 -6.812 1.00 44.24 C ATOM 169 CD ARG A 11 -1.749 -0.356 -6.199 1.00 12.34 C ATOM 170 NE ARG A 11 -2.380 -1.263 -7.183 1.00 64.50 N ATOM 171 CZ ARG A 11 -1.898 -2.442 -7.619 1.00 3.04 C ATOM 172 NH1 ARG A 11 -0.738 -2.920 -7.182 1.00 72.12 N ATOM 173 NH2 ARG A 11 -2.622 -3.167 -8.467 1.00 15.31 N ATOM 0 H ARG A 11 0.994 2.350 -6.030 1.00 1.32 H new ATOM 0 HA ARG A 11 0.920 -0.438 -6.493 1.00 42.53 H new ATOM 0 HB2 ARG A 11 0.027 1.956 -8.150 1.00 22.44 H new ATOM 0 HB3 ARG A 11 -0.345 0.293 -8.562 1.00 22.44 H new ATOM 0 HG2 ARG A 11 -1.192 1.725 -6.006 1.00 44.24 H new ATOM 0 HG3 ARG A 11 -2.226 1.391 -7.381 1.00 44.24 H new ATOM 0 HD2 ARG A 11 -0.852 -0.828 -5.798 1.00 12.34 H new ATOM 0 HD3 ARG A 11 -2.430 -0.203 -5.362 1.00 12.34 H new ATOM 0 HE ARG A 11 -3.274 -0.964 -7.572 1.00 64.50 H new ATOM 0 HH11 ARG A 11 -0.192 -2.391 -6.502 1.00 72.12 H new ATOM 0 HH12 ARG A 11 -0.393 -3.816 -7.527 1.00 72.12 H new ATOM 0 HH21 ARG A 11 -3.532 -2.828 -8.780 1.00 15.31 H new ATOM 0 HH22 ARG A 11 -2.267 -4.062 -8.804 1.00 15.31 H new ATOM 187 N ARG A 12 3.046 1.221 -8.380 1.00 63.12 N ATOM 188 CA ARG A 12 4.228 1.053 -9.261 1.00 32.52 C ATOM 189 C ARG A 12 5.323 0.262 -8.545 1.00 4.42 C ATOM 190 O ARG A 12 5.827 -0.692 -9.107 1.00 22.15 O ATOM 191 CB ARG A 12 4.772 2.428 -9.778 1.00 74.53 C ATOM 192 CG ARG A 12 4.137 2.911 -11.107 1.00 20.32 C ATOM 193 CD ARG A 12 2.611 3.029 -11.031 1.00 1.11 C ATOM 194 NE ARG A 12 1.985 3.365 -12.315 1.00 64.44 N ATOM 195 CZ ARG A 12 1.006 4.264 -12.464 1.00 31.43 C ATOM 196 NH1 ARG A 12 0.538 4.948 -11.425 1.00 11.14 N ATOM 197 NH2 ARG A 12 0.467 4.444 -13.659 1.00 30.11 N ATOM 0 H ARG A 12 2.869 2.188 -8.106 1.00 63.12 H new ATOM 0 HA ARG A 12 3.909 0.487 -10.136 1.00 32.52 H new ATOM 0 HB2 ARG A 12 4.600 3.184 -9.012 1.00 74.53 H new ATOM 0 HB3 ARG A 12 5.851 2.350 -9.912 1.00 74.53 H new ATOM 0 HG2 ARG A 12 4.558 3.880 -11.374 1.00 20.32 H new ATOM 0 HG3 ARG A 12 4.403 2.217 -11.904 1.00 20.32 H new ATOM 0 HD2 ARG A 12 2.199 2.086 -10.671 1.00 1.11 H new ATOM 0 HD3 ARG A 12 2.350 3.792 -10.298 1.00 1.11 H new ATOM 0 HE ARG A 12 2.318 2.881 -13.149 1.00 64.44 H new ATOM 0 HH11 ARG A 12 0.926 4.791 -10.495 1.00 11.14 H new ATOM 0 HH12 ARG A 12 -0.209 5.630 -11.558 1.00 11.14 H new ATOM 0 HH21 ARG A 12 0.799 3.900 -14.455 1.00 30.11 H new ATOM 0 HH22 ARG A 12 -0.280 5.127 -13.784 1.00 30.11 H new ATOM 211 N TYR A 13 5.629 0.643 -7.286 1.00 4.04 N ATOM 212 CA TYR A 13 6.682 -0.014 -6.452 1.00 30.33 C ATOM 213 C TYR A 13 6.420 -1.523 -6.286 1.00 41.14 C ATOM 214 O TYR A 13 7.365 -2.322 -6.236 1.00 40.12 O ATOM 215 CB TYR A 13 6.788 0.679 -5.063 1.00 52.41 C ATOM 216 CG TYR A 13 7.756 -0.006 -4.076 1.00 71.22 C ATOM 217 CD1 TYR A 13 9.143 0.040 -4.275 1.00 40.41 C ATOM 218 CD2 TYR A 13 7.285 -0.700 -2.957 1.00 24.32 C ATOM 219 CE1 TYR A 13 10.009 -0.576 -3.397 1.00 13.22 C ATOM 220 CE2 TYR A 13 8.151 -1.314 -2.082 1.00 5.42 C ATOM 221 CZ TYR A 13 9.510 -1.247 -2.303 1.00 62.44 C ATOM 222 OH TYR A 13 10.368 -1.853 -1.432 1.00 3.24 O ATOM 0 H TYR A 13 5.158 1.413 -6.811 1.00 4.04 H new ATOM 0 HA TYR A 13 7.632 0.098 -6.974 1.00 30.33 H new ATOM 0 HB2 TYR A 13 7.109 1.710 -5.210 1.00 52.41 H new ATOM 0 HB3 TYR A 13 5.796 0.715 -4.613 1.00 52.41 H new ATOM 0 HD1 TYR A 13 9.540 0.567 -5.130 1.00 40.41 H new ATOM 0 HD2 TYR A 13 6.222 -0.755 -2.776 1.00 24.32 H new ATOM 0 HE1 TYR A 13 11.075 -0.532 -3.567 1.00 13.22 H new ATOM 0 HE2 TYR A 13 7.767 -1.847 -1.225 1.00 5.42 H new ATOM 0 HH TYR A 13 9.857 -2.282 -0.714 1.00 3.24 H new ATOM 232 N ILE A 14 5.131 -1.887 -6.190 1.00 42.04 N ATOM 233 CA ILE A 14 4.702 -3.283 -6.109 1.00 72.30 C ATOM 234 C ILE A 14 5.132 -4.033 -7.392 1.00 15.44 C ATOM 235 O ILE A 14 5.856 -5.010 -7.320 1.00 14.21 O ATOM 236 CB ILE A 14 3.152 -3.396 -5.861 1.00 53.11 C ATOM 237 CG1 ILE A 14 2.744 -2.703 -4.514 1.00 11.41 C ATOM 238 CG2 ILE A 14 2.704 -4.873 -5.863 1.00 15.12 C ATOM 239 CD1 ILE A 14 1.246 -2.616 -4.263 1.00 54.15 C ATOM 0 H ILE A 14 4.361 -1.218 -6.167 1.00 42.04 H new ATOM 0 HA ILE A 14 5.189 -3.751 -5.253 1.00 72.30 H new ATOM 0 HB ILE A 14 2.646 -2.879 -6.676 1.00 53.11 H new ATOM 0 HG12 ILE A 14 3.204 -3.247 -3.689 1.00 11.41 H new ATOM 0 HG13 ILE A 14 3.158 -1.695 -4.502 1.00 11.41 H new ATOM 0 HG21 ILE A 14 1.629 -4.927 -5.690 1.00 15.12 H new ATOM 0 HG22 ILE A 14 2.939 -5.323 -6.827 1.00 15.12 H new ATOM 0 HG23 ILE A 14 3.227 -5.413 -5.073 1.00 15.12 H new ATOM 0 HD11 ILE A 14 1.065 -2.122 -3.308 1.00 54.15 H new ATOM 0 HD12 ILE A 14 0.776 -2.044 -5.063 1.00 54.15 H new ATOM 0 HD13 ILE A 14 0.822 -3.620 -4.238 1.00 54.15 H new ATOM 251 N MET A 15 4.756 -3.504 -8.560 1.00 71.34 N ATOM 252 CA MET A 15 5.041 -4.170 -9.862 1.00 43.43 C ATOM 253 C MET A 15 6.558 -4.162 -10.167 1.00 54.31 C ATOM 254 O MET A 15 7.103 -5.144 -10.681 1.00 44.14 O ATOM 255 CB MET A 15 4.266 -3.483 -11.018 1.00 63.13 C ATOM 256 CG MET A 15 2.824 -3.107 -10.688 1.00 63.15 C ATOM 257 SD MET A 15 1.855 -4.426 -9.913 1.00 63.31 S ATOM 258 CE MET A 15 1.674 -5.576 -11.261 1.00 74.31 C ATOM 0 H MET A 15 4.254 -2.620 -8.645 1.00 71.34 H new ATOM 0 HA MET A 15 4.706 -5.204 -9.783 1.00 43.43 H new ATOM 0 HB2 MET A 15 4.804 -2.581 -11.311 1.00 63.13 H new ATOM 0 HB3 MET A 15 4.265 -4.148 -11.881 1.00 63.13 H new ATOM 0 HG2 MET A 15 2.831 -2.242 -10.024 1.00 63.15 H new ATOM 0 HG3 MET A 15 2.324 -2.799 -11.606 1.00 63.15 H new ATOM 0 HE1 MET A 15 0.867 -6.274 -11.038 1.00 74.31 H new ATOM 0 HE2 MET A 15 1.440 -5.031 -12.175 1.00 74.31 H new ATOM 0 HE3 MET A 15 2.604 -6.128 -11.396 1.00 74.31 H new ATOM 268 N GLU A 16 7.217 -3.048 -9.802 1.00 50.21 N ATOM 269 CA GLU A 16 8.658 -2.824 -10.013 1.00 3.42 C ATOM 270 C GLU A 16 9.495 -3.835 -9.223 1.00 34.31 C ATOM 271 O GLU A 16 10.194 -4.657 -9.798 1.00 51.50 O ATOM 272 CB GLU A 16 9.047 -1.375 -9.586 1.00 43.24 C ATOM 273 CG GLU A 16 8.594 -0.255 -10.545 1.00 54.20 C ATOM 274 CD GLU A 16 9.313 -0.307 -11.903 1.00 63.04 C ATOM 275 OE1 GLU A 16 10.478 0.156 -11.980 1.00 60.22 O ATOM 276 OE2 GLU A 16 8.739 -0.828 -12.880 1.00 52.53 O ATOM 0 H GLU A 16 6.754 -2.263 -9.343 1.00 50.21 H new ATOM 0 HA GLU A 16 8.865 -2.957 -11.075 1.00 3.42 H new ATOM 0 HB2 GLU A 16 8.623 -1.179 -8.601 1.00 43.24 H new ATOM 0 HB3 GLU A 16 10.131 -1.324 -9.482 1.00 43.24 H new ATOM 0 HG2 GLU A 16 7.519 -0.333 -10.705 1.00 54.20 H new ATOM 0 HG3 GLU A 16 8.778 0.713 -10.079 1.00 54.20 H new ATOM 283 N ASP A 17 9.382 -3.757 -7.900 1.00 50.43 N ATOM 284 CA ASP A 17 10.228 -4.513 -6.960 1.00 42.05 C ATOM 285 C ASP A 17 9.590 -5.866 -6.622 1.00 25.02 C ATOM 286 O ASP A 17 10.162 -6.919 -6.915 1.00 54.21 O ATOM 287 CB ASP A 17 10.447 -3.662 -5.679 1.00 10.20 C ATOM 288 CG ASP A 17 11.284 -4.373 -4.605 1.00 34.33 C ATOM 289 OD1 ASP A 17 12.529 -4.392 -4.733 1.00 20.02 O ATOM 290 OD2 ASP A 17 10.699 -4.932 -3.646 1.00 0.33 O ATOM 0 H ASP A 17 8.695 -3.162 -7.438 1.00 50.43 H new ATOM 0 HA ASP A 17 11.194 -4.716 -7.423 1.00 42.05 H new ATOM 0 HB2 ASP A 17 10.939 -2.729 -5.953 1.00 10.20 H new ATOM 0 HB3 ASP A 17 9.477 -3.399 -5.257 1.00 10.20 H new ATOM 295 N LEU A 18 8.381 -5.807 -6.043 1.00 34.32 N ATOM 296 CA LEU A 18 7.694 -6.981 -5.460 1.00 35.31 C ATOM 297 C LEU A 18 7.417 -8.069 -6.506 1.00 12.31 C ATOM 298 O LEU A 18 7.621 -9.247 -6.225 1.00 41.52 O ATOM 299 CB LEU A 18 6.384 -6.555 -4.739 1.00 60.53 C ATOM 300 CG LEU A 18 6.556 -5.850 -3.352 1.00 33.35 C ATOM 301 CD1 LEU A 18 7.340 -6.753 -2.375 1.00 30.33 C ATOM 302 CD2 LEU A 18 7.211 -4.449 -3.453 1.00 31.10 C ATOM 0 H LEU A 18 7.846 -4.942 -5.963 1.00 34.32 H new ATOM 0 HA LEU A 18 8.369 -7.414 -4.721 1.00 35.31 H new ATOM 0 HB2 LEU A 18 5.833 -5.884 -5.398 1.00 60.53 H new ATOM 0 HB3 LEU A 18 5.766 -7.442 -4.598 1.00 60.53 H new ATOM 0 HG LEU A 18 5.551 -5.689 -2.962 1.00 33.35 H new ATOM 0 HD11 LEU A 18 7.449 -6.244 -1.417 1.00 30.33 H new ATOM 0 HD12 LEU A 18 6.799 -7.688 -2.230 1.00 30.33 H new ATOM 0 HD13 LEU A 18 8.327 -6.965 -2.787 1.00 30.33 H new ATOM 0 HD21 LEU A 18 7.301 -4.017 -2.456 1.00 31.10 H new ATOM 0 HD22 LEU A 18 8.201 -4.542 -3.899 1.00 31.10 H new ATOM 0 HD23 LEU A 18 6.592 -3.802 -4.075 1.00 31.10 H new ATOM 314 N ILE A 19 6.950 -7.676 -7.702 1.00 62.02 N ATOM 315 CA ILE A 19 6.790 -8.618 -8.824 1.00 63.54 C ATOM 316 C ILE A 19 8.147 -8.758 -9.544 1.00 31.01 C ATOM 317 O ILE A 19 8.697 -9.858 -9.632 1.00 13.45 O ATOM 318 CB ILE A 19 5.643 -8.202 -9.844 1.00 24.45 C ATOM 319 CG1 ILE A 19 4.194 -8.318 -9.242 1.00 13.13 C ATOM 320 CG2 ILE A 19 5.710 -9.074 -11.120 1.00 30.41 C ATOM 321 CD1 ILE A 19 3.883 -7.468 -8.035 1.00 75.44 C ATOM 0 H ILE A 19 6.677 -6.717 -7.917 1.00 62.02 H new ATOM 0 HA ILE A 19 6.474 -9.577 -8.413 1.00 63.54 H new ATOM 0 HB ILE A 19 5.826 -7.153 -10.076 1.00 24.45 H new ATOM 0 HG12 ILE A 19 3.480 -8.066 -10.026 1.00 13.13 H new ATOM 0 HG13 ILE A 19 4.020 -9.361 -8.976 1.00 13.13 H new ATOM 0 HG21 ILE A 19 4.918 -8.775 -11.807 1.00 30.41 H new ATOM 0 HG22 ILE A 19 6.678 -8.939 -11.602 1.00 30.41 H new ATOM 0 HG23 ILE A 19 5.581 -10.122 -10.851 1.00 30.41 H new ATOM 0 HD11 ILE A 19 2.854 -7.643 -7.722 1.00 75.44 H new ATOM 0 HD12 ILE A 19 4.559 -7.730 -7.221 1.00 75.44 H new ATOM 0 HD13 ILE A 19 4.011 -6.416 -8.288 1.00 75.44 H new ATOM 333 N GLY A 20 8.705 -7.626 -10.003 1.00 1.43 N ATOM 334 CA GLY A 20 9.963 -7.616 -10.765 1.00 21.14 C ATOM 335 C GLY A 20 9.761 -7.114 -12.195 1.00 14.33 C ATOM 336 O GLY A 20 8.723 -6.508 -12.492 1.00 3.41 O ATOM 0 H GLY A 20 8.301 -6.701 -9.858 1.00 1.43 H new ATOM 0 HA2 GLY A 20 10.690 -6.982 -10.257 1.00 21.14 H new ATOM 0 HA3 GLY A 20 10.380 -8.623 -10.789 1.00 21.14 H new ATOM 340 N PRO A 21 10.749 -7.360 -13.114 1.00 74.14 N ATOM 341 CA PRO A 21 10.676 -6.913 -14.529 1.00 71.31 C ATOM 342 C PRO A 21 9.491 -7.536 -15.306 1.00 22.11 C ATOM 343 O PRO A 21 8.975 -6.921 -16.243 1.00 62.50 O ATOM 344 CB PRO A 21 12.043 -7.353 -15.120 1.00 71.22 C ATOM 345 CG PRO A 21 12.522 -8.444 -14.218 1.00 23.22 C ATOM 346 CD PRO A 21 12.030 -8.068 -12.841 1.00 25.14 C ATOM 0 HA PRO A 21 10.498 -5.840 -14.605 1.00 71.31 H new ATOM 0 HB2 PRO A 21 11.934 -7.708 -16.145 1.00 71.22 H new ATOM 0 HB3 PRO A 21 12.748 -6.522 -15.144 1.00 71.22 H new ATOM 0 HG2 PRO A 21 12.126 -9.412 -14.526 1.00 23.22 H new ATOM 0 HG3 PRO A 21 13.609 -8.523 -14.239 1.00 23.22 H new ATOM 0 HD2 PRO A 21 11.878 -8.947 -12.215 1.00 25.14 H new ATOM 0 HD3 PRO A 21 12.741 -7.426 -12.322 1.00 25.14 H new ATOM 354 N SER A 22 9.051 -8.748 -14.909 1.00 71.03 N ATOM 355 CA SER A 22 7.866 -9.409 -15.504 1.00 23.34 C ATOM 356 C SER A 22 6.590 -8.935 -14.771 1.00 45.11 C ATOM 357 O SER A 22 5.763 -9.745 -14.318 1.00 4.12 O ATOM 358 CB SER A 22 8.030 -10.945 -15.421 1.00 55.22 C ATOM 359 OG SER A 22 9.277 -11.369 -15.963 1.00 25.54 O ATOM 0 H SER A 22 9.501 -9.294 -14.174 1.00 71.03 H new ATOM 0 HA SER A 22 7.775 -9.137 -16.556 1.00 23.34 H new ATOM 0 HB2 SER A 22 7.957 -11.264 -14.381 1.00 55.22 H new ATOM 0 HB3 SER A 22 7.215 -11.428 -15.960 1.00 55.22 H new ATOM 0 HG SER A 22 9.349 -12.344 -15.893 1.00 25.54 H new ATOM 365 N ALA A 23 6.450 -7.602 -14.659 1.00 43.42 N ATOM 366 CA ALA A 23 5.360 -6.948 -13.947 1.00 24.40 C ATOM 367 C ALA A 23 4.037 -7.123 -14.696 1.00 14.54 C ATOM 368 O ALA A 23 3.924 -6.702 -15.849 1.00 53.30 O ATOM 369 CB ALA A 23 5.693 -5.474 -13.751 1.00 73.03 C ATOM 0 H ALA A 23 7.110 -6.944 -15.073 1.00 43.42 H new ATOM 0 HA ALA A 23 5.242 -7.413 -12.968 1.00 24.40 H new ATOM 0 HB1 ALA A 23 4.878 -4.984 -13.218 1.00 73.03 H new ATOM 0 HB2 ALA A 23 6.612 -5.382 -13.172 1.00 73.03 H new ATOM 0 HB3 ALA A 23 5.828 -4.999 -14.723 1.00 73.03 H new ATOM 375 N LYS A 24 3.058 -7.766 -14.037 1.00 74.52 N ATOM 376 CA LYS A 24 1.715 -8.002 -14.596 1.00 51.43 C ATOM 377 C LYS A 24 0.899 -6.693 -14.588 1.00 45.21 C ATOM 378 O LYS A 24 0.015 -6.494 -13.742 1.00 13.20 O ATOM 379 CB LYS A 24 0.996 -9.132 -13.818 1.00 23.04 C ATOM 380 CG LYS A 24 1.749 -10.488 -13.811 1.00 40.21 C ATOM 381 CD LYS A 24 0.967 -11.589 -13.065 1.00 22.42 C ATOM 382 CE LYS A 24 0.669 -11.236 -11.591 1.00 14.42 C ATOM 383 NZ LYS A 24 -0.240 -12.224 -10.952 1.00 52.21 N ATOM 0 H LYS A 24 3.177 -8.139 -13.095 1.00 74.52 H new ATOM 0 HA LYS A 24 1.811 -8.328 -15.632 1.00 51.43 H new ATOM 0 HB2 LYS A 24 0.847 -8.808 -12.788 1.00 23.04 H new ATOM 0 HB3 LYS A 24 0.007 -9.282 -14.252 1.00 23.04 H new ATOM 0 HG2 LYS A 24 1.929 -10.806 -14.838 1.00 40.21 H new ATOM 0 HG3 LYS A 24 2.724 -10.357 -13.342 1.00 40.21 H new ATOM 0 HD2 LYS A 24 0.026 -11.772 -13.585 1.00 22.42 H new ATOM 0 HD3 LYS A 24 1.537 -12.517 -13.101 1.00 22.42 H new ATOM 0 HE2 LYS A 24 1.604 -11.191 -11.033 1.00 14.42 H new ATOM 0 HE3 LYS A 24 0.219 -10.244 -11.540 1.00 14.42 H new ATOM 0 HZ1 LYS A 24 -0.176 -12.137 -9.918 1.00 52.21 H new ATOM 0 HZ2 LYS A 24 -1.218 -12.042 -11.254 1.00 52.21 H new ATOM 0 HZ3 LYS A 24 0.037 -13.185 -11.236 1.00 52.21 H new ATOM 397 N GLU A 25 1.247 -5.805 -15.538 1.00 62.03 N ATOM 398 CA GLU A 25 0.709 -4.427 -15.659 1.00 43.20 C ATOM 399 C GLU A 25 -0.816 -4.409 -15.846 1.00 70.44 C ATOM 400 O GLU A 25 -1.476 -3.401 -15.570 1.00 23.43 O ATOM 401 CB GLU A 25 1.384 -3.707 -16.859 1.00 54.13 C ATOM 402 CG GLU A 25 1.197 -4.443 -18.208 1.00 44.34 C ATOM 403 CD GLU A 25 1.837 -3.726 -19.415 1.00 3.41 C ATOM 404 OE1 GLU A 25 3.055 -3.893 -19.648 1.00 14.41 O ATOM 405 OE2 GLU A 25 1.129 -2.965 -20.116 1.00 74.55 O ATOM 0 H GLU A 25 1.928 -6.027 -16.264 1.00 62.03 H new ATOM 0 HA GLU A 25 0.933 -3.907 -14.727 1.00 43.20 H new ATOM 0 HB2 GLU A 25 0.975 -2.700 -16.944 1.00 54.13 H new ATOM 0 HB3 GLU A 25 2.450 -3.602 -16.656 1.00 54.13 H new ATOM 0 HG2 GLU A 25 1.624 -5.443 -18.126 1.00 44.34 H new ATOM 0 HG3 GLU A 25 0.131 -4.566 -18.397 1.00 44.34 H new ATOM 412 N ASP A 26 -1.344 -5.530 -16.345 1.00 61.33 N ATOM 413 CA ASP A 26 -2.775 -5.733 -16.560 1.00 15.41 C ATOM 414 C ASP A 26 -3.557 -5.598 -15.233 1.00 4.33 C ATOM 415 O ASP A 26 -4.646 -5.033 -15.192 1.00 4.54 O ATOM 416 CB ASP A 26 -2.997 -7.132 -17.198 1.00 3.14 C ATOM 417 CG ASP A 26 -4.476 -7.447 -17.477 1.00 43.33 C ATOM 418 OD1 ASP A 26 -5.135 -6.644 -18.177 1.00 71.04 O ATOM 419 OD2 ASP A 26 -4.996 -8.475 -16.988 1.00 4.33 O ATOM 0 H ASP A 26 -0.777 -6.334 -16.615 1.00 61.33 H new ATOM 0 HA ASP A 26 -3.151 -4.966 -17.237 1.00 15.41 H new ATOM 0 HB2 ASP A 26 -2.438 -7.190 -18.132 1.00 3.14 H new ATOM 0 HB3 ASP A 26 -2.589 -7.895 -16.535 1.00 3.14 H new ATOM 424 N GLU A 27 -2.936 -6.079 -14.152 1.00 72.24 N ATOM 425 CA GLU A 27 -3.535 -6.109 -12.798 1.00 62.11 C ATOM 426 C GLU A 27 -3.216 -4.838 -11.978 1.00 52.54 C ATOM 427 O GLU A 27 -3.412 -4.807 -10.753 1.00 14.31 O ATOM 428 CB GLU A 27 -3.078 -7.397 -12.062 1.00 51.52 C ATOM 429 CG GLU A 27 -3.509 -8.688 -12.788 1.00 35.22 C ATOM 430 CD GLU A 27 -3.287 -9.960 -11.960 1.00 14.14 C ATOM 431 OE1 GLU A 27 -3.917 -10.093 -10.892 1.00 75.25 O ATOM 432 OE2 GLU A 27 -2.487 -10.826 -12.363 1.00 32.40 O ATOM 0 H GLU A 27 -1.992 -6.465 -14.184 1.00 72.24 H new ATOM 0 HA GLU A 27 -4.620 -6.124 -12.906 1.00 62.11 H new ATOM 0 HB2 GLU A 27 -1.993 -7.387 -11.963 1.00 51.52 H new ATOM 0 HB3 GLU A 27 -3.490 -7.399 -11.053 1.00 51.52 H new ATOM 0 HG2 GLU A 27 -4.565 -8.613 -13.049 1.00 35.22 H new ATOM 0 HG3 GLU A 27 -2.955 -8.772 -13.723 1.00 35.22 H new ATOM 439 N LEU A 28 -2.734 -3.782 -12.655 1.00 24.05 N ATOM 440 CA LEU A 28 -2.454 -2.485 -12.035 1.00 24.12 C ATOM 441 C LEU A 28 -3.673 -1.556 -12.169 1.00 62.24 C ATOM 442 O LEU A 28 -4.090 -1.217 -13.282 1.00 73.53 O ATOM 443 CB LEU A 28 -1.181 -1.861 -12.679 1.00 64.41 C ATOM 444 CG LEU A 28 -0.388 -0.809 -11.823 1.00 3.00 C ATOM 445 CD1 LEU A 28 -1.081 0.573 -11.712 1.00 73.24 C ATOM 446 CD2 LEU A 28 -0.108 -1.377 -10.420 1.00 72.12 C ATOM 0 H LEU A 28 -2.528 -3.809 -13.654 1.00 24.05 H new ATOM 0 HA LEU A 28 -2.263 -2.622 -10.971 1.00 24.12 H new ATOM 0 HB2 LEU A 28 -0.499 -2.672 -12.935 1.00 64.41 H new ATOM 0 HB3 LEU A 28 -1.474 -1.384 -13.614 1.00 64.41 H new ATOM 0 HG LEU A 28 0.547 -0.631 -12.355 1.00 3.00 H new ATOM 0 HD11 LEU A 28 -0.468 1.240 -11.105 1.00 73.24 H new ATOM 0 HD12 LEU A 28 -1.204 0.999 -12.708 1.00 73.24 H new ATOM 0 HD13 LEU A 28 -2.059 0.453 -11.245 1.00 73.24 H new ATOM 0 HD21 LEU A 28 0.442 -0.642 -9.833 1.00 72.12 H new ATOM 0 HD22 LEU A 28 -1.052 -1.604 -9.925 1.00 72.12 H new ATOM 0 HD23 LEU A 28 0.484 -2.288 -10.508 1.00 72.12 H new ATOM 458 N ASP A 29 -4.226 -1.178 -11.013 1.00 73.40 N ATOM 459 CA ASP A 29 -5.304 -0.187 -10.892 1.00 22.11 C ATOM 460 C ASP A 29 -5.397 0.221 -9.426 1.00 33.41 C ATOM 461 O ASP A 29 -4.894 -0.499 -8.545 1.00 75.04 O ATOM 462 CB ASP A 29 -6.657 -0.776 -11.362 1.00 43.35 C ATOM 463 CG ASP A 29 -7.782 0.256 -11.519 1.00 13.11 C ATOM 464 OD1 ASP A 29 -7.864 0.902 -12.586 1.00 73.12 O ATOM 465 OD2 ASP A 29 -8.594 0.410 -10.577 1.00 45.42 O ATOM 0 H ASP A 29 -3.932 -1.560 -10.114 1.00 73.40 H new ATOM 0 HA ASP A 29 -5.084 0.675 -11.522 1.00 22.11 H new ATOM 0 HB2 ASP A 29 -6.507 -1.279 -12.317 1.00 43.35 H new ATOM 0 HB3 ASP A 29 -6.975 -1.536 -10.648 1.00 43.35 H new ATOM 470 N ASP A 30 -6.057 1.351 -9.165 1.00 12.41 N ATOM 471 CA ASP A 30 -6.171 1.903 -7.811 1.00 51.13 C ATOM 472 C ASP A 30 -7.263 1.180 -7.007 1.00 11.41 C ATOM 473 O ASP A 30 -7.073 0.883 -5.830 1.00 75.03 O ATOM 474 CB ASP A 30 -6.428 3.429 -7.873 1.00 64.23 C ATOM 475 CG ASP A 30 -7.749 3.807 -8.566 1.00 73.12 C ATOM 476 OD1 ASP A 30 -7.869 3.609 -9.793 1.00 60.33 O ATOM 477 OD2 ASP A 30 -8.670 4.306 -7.894 1.00 11.43 O ATOM 0 H ASP A 30 -6.525 1.907 -9.880 1.00 12.41 H new ATOM 0 HA ASP A 30 -5.227 1.739 -7.291 1.00 51.13 H new ATOM 0 HB2 ASP A 30 -6.433 3.829 -6.859 1.00 64.23 H new ATOM 0 HB3 ASP A 30 -5.602 3.906 -8.400 1.00 64.23 H new ATOM 482 N GLN A 31 -8.399 0.884 -7.652 1.00 35.34 N ATOM 483 CA GLN A 31 -9.518 0.169 -7.002 1.00 41.35 C ATOM 484 C GLN A 31 -9.384 -1.358 -7.130 1.00 65.43 C ATOM 485 O GLN A 31 -10.281 -2.091 -6.666 1.00 50.25 O ATOM 486 CB GLN A 31 -10.880 0.642 -7.568 1.00 33.23 C ATOM 487 CG GLN A 31 -11.167 2.143 -7.357 1.00 54.30 C ATOM 488 CD GLN A 31 -12.637 2.551 -7.581 1.00 0.34 C ATOM 489 OE1 GLN A 31 -13.581 1.703 -7.181 1.00 53.32 O flip ATOM 490 NE2 GLN A 31 -12.923 3.647 -8.054 1.00 61.43 N flip ATOM 0 H GLN A 31 -8.573 1.127 -8.627 1.00 35.34 H new ATOM 0 HA GLN A 31 -9.476 0.412 -5.940 1.00 41.35 H new ATOM 0 HB2 GLN A 31 -10.912 0.424 -8.636 1.00 33.23 H new ATOM 0 HB3 GLN A 31 -11.676 0.062 -7.100 1.00 33.23 H new ATOM 0 HG2 GLN A 31 -10.878 2.416 -6.342 1.00 54.30 H new ATOM 0 HG3 GLN A 31 -10.536 2.719 -8.034 1.00 54.30 H new ATOM 0 HE21 GLN A 31 -12.183 4.282 -8.354 1.00 61.43 H new ATOM 0 HE22 GLN A 31 -13.901 3.923 -8.147 1.00 61.43 H new ATOM 499 N THR A 32 -8.287 -1.841 -7.764 1.00 13.41 N ATOM 500 CA THR A 32 -7.952 -3.278 -7.804 1.00 61.45 C ATOM 501 C THR A 32 -7.823 -3.846 -6.363 1.00 42.25 C ATOM 502 O THR A 32 -6.992 -3.347 -5.589 1.00 32.55 O ATOM 503 CB THR A 32 -6.635 -3.562 -8.615 1.00 40.43 C ATOM 504 OG1 THR A 32 -6.905 -3.492 -10.015 1.00 24.25 O ATOM 505 CG2 THR A 32 -6.018 -4.931 -8.297 1.00 43.05 C ATOM 0 H THR A 32 -7.618 -1.248 -8.256 1.00 13.41 H new ATOM 0 HA THR A 32 -8.769 -3.782 -8.321 1.00 61.45 H new ATOM 0 HB THR A 32 -5.915 -2.799 -8.318 1.00 40.43 H new ATOM 0 HG1 THR A 32 -6.081 -3.668 -10.516 1.00 24.25 H new ATOM 0 HG21 THR A 32 -5.112 -5.068 -8.888 1.00 43.05 H new ATOM 0 HG22 THR A 32 -5.771 -4.981 -7.237 1.00 43.05 H new ATOM 0 HG23 THR A 32 -6.732 -5.717 -8.541 1.00 43.05 H new ATOM 513 N PRO A 33 -8.648 -4.886 -5.996 1.00 15.22 N ATOM 514 CA PRO A 33 -8.585 -5.531 -4.673 1.00 25.33 C ATOM 515 C PRO A 33 -7.279 -6.347 -4.520 1.00 23.44 C ATOM 516 O PRO A 33 -7.101 -7.410 -5.124 1.00 52.41 O ATOM 517 CB PRO A 33 -9.858 -6.410 -4.632 1.00 2.10 C ATOM 518 CG PRO A 33 -10.214 -6.660 -6.063 1.00 40.30 C ATOM 519 CD PRO A 33 -9.705 -5.485 -6.855 1.00 45.32 C ATOM 0 HA PRO A 33 -8.562 -4.825 -3.843 1.00 25.33 H new ATOM 0 HB2 PRO A 33 -9.673 -7.345 -4.104 1.00 2.10 H new ATOM 0 HB3 PRO A 33 -10.669 -5.903 -4.108 1.00 2.10 H new ATOM 0 HG2 PRO A 33 -9.763 -7.587 -6.416 1.00 40.30 H new ATOM 0 HG3 PRO A 33 -11.293 -6.765 -6.179 1.00 40.30 H new ATOM 0 HD2 PRO A 33 -9.303 -5.800 -7.818 1.00 45.32 H new ATOM 0 HD3 PRO A 33 -10.502 -4.770 -7.061 1.00 45.32 H new ATOM 527 N LEU A 34 -6.375 -5.811 -3.704 1.00 61.14 N ATOM 528 CA LEU A 34 -4.990 -6.251 -3.610 1.00 50.05 C ATOM 529 C LEU A 34 -4.839 -7.611 -2.896 1.00 54.33 C ATOM 530 O LEU A 34 -4.055 -8.452 -3.355 1.00 12.55 O ATOM 531 CB LEU A 34 -4.176 -5.157 -2.890 1.00 63.31 C ATOM 532 CG LEU A 34 -4.219 -3.727 -3.517 1.00 1.04 C ATOM 533 CD1 LEU A 34 -3.418 -2.710 -2.677 1.00 25.11 C ATOM 534 CD2 LEU A 34 -3.730 -3.733 -4.978 1.00 64.52 C ATOM 0 H LEU A 34 -6.593 -5.039 -3.074 1.00 61.14 H new ATOM 0 HA LEU A 34 -4.610 -6.403 -4.620 1.00 50.05 H new ATOM 0 HB2 LEU A 34 -4.531 -5.089 -1.862 1.00 63.31 H new ATOM 0 HB3 LEU A 34 -3.136 -5.479 -2.847 1.00 63.31 H new ATOM 0 HG LEU A 34 -5.263 -3.412 -3.514 1.00 1.04 H new ATOM 0 HD11 LEU A 34 -3.472 -1.728 -3.146 1.00 25.11 H new ATOM 0 HD12 LEU A 34 -3.838 -2.656 -1.673 1.00 25.11 H new ATOM 0 HD13 LEU A 34 -2.377 -3.027 -2.618 1.00 25.11 H new ATOM 0 HD21 LEU A 34 -3.774 -2.721 -5.381 1.00 64.52 H new ATOM 0 HD22 LEU A 34 -2.702 -4.094 -5.016 1.00 64.52 H new ATOM 0 HD23 LEU A 34 -4.367 -4.388 -5.572 1.00 64.52 H new ATOM 546 N LEU A 35 -5.564 -7.830 -1.772 1.00 53.42 N ATOM 547 CA LEU A 35 -5.518 -9.140 -1.046 1.00 22.42 C ATOM 548 C LEU A 35 -6.182 -10.245 -1.883 1.00 64.33 C ATOM 549 O LEU A 35 -5.698 -11.389 -1.916 1.00 64.44 O ATOM 550 CB LEU A 35 -6.191 -9.084 0.363 1.00 23.24 C ATOM 551 CG LEU A 35 -5.378 -8.397 1.512 1.00 42.25 C ATOM 552 CD1 LEU A 35 -3.997 -9.079 1.739 1.00 32.31 C ATOM 553 CD2 LEU A 35 -5.226 -6.886 1.278 1.00 2.10 C ATOM 0 H LEU A 35 -6.179 -7.136 -1.348 1.00 53.42 H new ATOM 0 HA LEU A 35 -4.462 -9.366 -0.896 1.00 22.42 H new ATOM 0 HB2 LEU A 35 -7.143 -8.563 0.263 1.00 23.24 H new ATOM 0 HB3 LEU A 35 -6.417 -10.105 0.671 1.00 23.24 H new ATOM 0 HG LEU A 35 -5.955 -8.529 2.427 1.00 42.25 H new ATOM 0 HD11 LEU A 35 -3.468 -8.570 2.545 1.00 32.31 H new ATOM 0 HD12 LEU A 35 -4.147 -10.125 2.008 1.00 32.31 H new ATOM 0 HD13 LEU A 35 -3.408 -9.021 0.824 1.00 32.31 H new ATOM 0 HD21 LEU A 35 -4.656 -6.447 2.097 1.00 2.10 H new ATOM 0 HD22 LEU A 35 -4.702 -6.714 0.338 1.00 2.10 H new ATOM 0 HD23 LEU A 35 -6.212 -6.424 1.233 1.00 2.10 H new ATOM 565 N GLU A 36 -7.288 -9.866 -2.553 1.00 23.53 N ATOM 566 CA GLU A 36 -8.085 -10.772 -3.400 1.00 75.43 C ATOM 567 C GLU A 36 -7.257 -11.251 -4.609 1.00 24.02 C ATOM 568 O GLU A 36 -7.361 -12.405 -5.019 1.00 52.35 O ATOM 569 CB GLU A 36 -9.399 -10.073 -3.879 1.00 61.23 C ATOM 570 CG GLU A 36 -10.314 -10.963 -4.754 1.00 21.34 C ATOM 571 CD GLU A 36 -11.548 -10.217 -5.300 1.00 2.30 C ATOM 572 OE1 GLU A 36 -12.552 -10.082 -4.564 1.00 43.11 O ATOM 573 OE2 GLU A 36 -11.508 -9.728 -6.451 1.00 64.33 O ATOM 0 H GLU A 36 -7.655 -8.915 -2.521 1.00 23.53 H new ATOM 0 HA GLU A 36 -8.360 -11.641 -2.803 1.00 75.43 H new ATOM 0 HB2 GLU A 36 -9.961 -9.744 -3.005 1.00 61.23 H new ATOM 0 HB3 GLU A 36 -9.135 -9.178 -4.443 1.00 61.23 H new ATOM 0 HG2 GLU A 36 -9.736 -11.355 -5.590 1.00 21.34 H new ATOM 0 HG3 GLU A 36 -10.646 -11.819 -4.167 1.00 21.34 H new ATOM 580 N TRP A 37 -6.411 -10.366 -5.162 1.00 11.03 N ATOM 581 CA TRP A 37 -5.625 -10.691 -6.387 1.00 65.32 C ATOM 582 C TRP A 37 -4.224 -11.220 -6.020 1.00 2.30 C ATOM 583 O TRP A 37 -3.417 -11.521 -6.902 1.00 41.24 O ATOM 584 CB TRP A 37 -5.560 -9.452 -7.324 1.00 12.02 C ATOM 585 CG TRP A 37 -6.891 -9.085 -7.978 1.00 73.03 C ATOM 586 CD1 TRP A 37 -8.150 -9.348 -7.512 1.00 52.02 C ATOM 587 CD2 TRP A 37 -7.084 -8.383 -9.214 1.00 41.53 C ATOM 588 NE1 TRP A 37 -9.092 -8.851 -8.355 1.00 2.01 N ATOM 589 CE2 TRP A 37 -8.470 -8.256 -9.415 1.00 4.20 C ATOM 590 CE3 TRP A 37 -6.225 -7.855 -10.168 1.00 30.40 C ATOM 591 CZ2 TRP A 37 -9.007 -7.610 -10.520 1.00 70.12 C ATOM 592 CZ3 TRP A 37 -6.763 -7.215 -11.269 1.00 12.22 C ATOM 593 CH2 TRP A 37 -8.143 -7.103 -11.437 1.00 21.20 C ATOM 0 H TRP A 37 -6.248 -9.429 -4.794 1.00 11.03 H new ATOM 0 HA TRP A 37 -6.129 -11.490 -6.931 1.00 65.32 H new ATOM 0 HB2 TRP A 37 -5.203 -8.597 -6.751 1.00 12.02 H new ATOM 0 HB3 TRP A 37 -4.825 -9.641 -8.106 1.00 12.02 H new ATOM 0 HD1 TRP A 37 -8.366 -9.879 -6.597 1.00 52.02 H new ATOM 0 HE1 TRP A 37 -10.101 -8.912 -8.218 1.00 2.01 H new ATOM 0 HE3 TRP A 37 -5.155 -7.943 -10.052 1.00 30.40 H new ATOM 0 HZ2 TRP A 37 -10.075 -7.514 -10.646 1.00 70.12 H new ATOM 0 HZ3 TRP A 37 -6.103 -6.794 -12.013 1.00 12.22 H new ATOM 0 HH2 TRP A 37 -8.532 -6.604 -12.312 1.00 21.20 H new ATOM 604 N GLY A 38 -3.950 -11.341 -4.702 1.00 73.11 N ATOM 605 CA GLY A 38 -2.692 -11.920 -4.208 1.00 43.44 C ATOM 606 C GLY A 38 -1.486 -10.995 -4.386 1.00 1.35 C ATOM 607 O GLY A 38 -0.337 -11.433 -4.288 1.00 33.21 O ATOM 0 H GLY A 38 -4.588 -11.043 -3.964 1.00 73.11 H new ATOM 0 HA2 GLY A 38 -2.802 -12.162 -3.151 1.00 43.44 H new ATOM 0 HA3 GLY A 38 -2.502 -12.857 -4.731 1.00 43.44 H new ATOM 611 N ILE A 39 -1.772 -9.706 -4.621 1.00 20.42 N ATOM 612 CA ILE A 39 -0.774 -8.656 -4.894 1.00 44.24 C ATOM 613 C ILE A 39 0.059 -8.363 -3.634 1.00 24.14 C ATOM 614 O ILE A 39 1.247 -8.034 -3.721 1.00 2.11 O ATOM 615 CB ILE A 39 -1.526 -7.362 -5.414 1.00 11.25 C ATOM 616 CG1 ILE A 39 -2.229 -7.671 -6.779 1.00 71.52 C ATOM 617 CG2 ILE A 39 -0.601 -6.129 -5.525 1.00 41.04 C ATOM 618 CD1 ILE A 39 -2.984 -6.508 -7.397 1.00 51.53 C ATOM 0 H ILE A 39 -2.729 -9.353 -4.627 1.00 20.42 H new ATOM 0 HA ILE A 39 -0.079 -8.992 -5.664 1.00 44.24 H new ATOM 0 HB ILE A 39 -2.280 -7.101 -4.671 1.00 11.25 H new ATOM 0 HG12 ILE A 39 -1.475 -8.011 -7.489 1.00 71.52 H new ATOM 0 HG13 ILE A 39 -2.924 -8.497 -6.632 1.00 71.52 H new ATOM 0 HG21 ILE A 39 -1.174 -5.275 -5.886 1.00 41.04 H new ATOM 0 HG22 ILE A 39 -0.184 -5.898 -4.545 1.00 41.04 H new ATOM 0 HG23 ILE A 39 0.209 -6.343 -6.222 1.00 41.04 H new ATOM 0 HD11 ILE A 39 -3.434 -6.825 -8.338 1.00 51.53 H new ATOM 0 HD12 ILE A 39 -3.767 -6.178 -6.714 1.00 51.53 H new ATOM 0 HD13 ILE A 39 -2.295 -5.685 -7.584 1.00 51.53 H new ATOM 630 N LEU A 40 -0.577 -8.535 -2.461 1.00 32.21 N ATOM 631 CA LEU A 40 0.034 -8.239 -1.157 1.00 2.12 C ATOM 632 C LEU A 40 0.297 -9.526 -0.358 1.00 41.32 C ATOM 633 O LEU A 40 1.432 -10.004 -0.327 1.00 34.03 O ATOM 634 CB LEU A 40 -0.873 -7.279 -0.374 1.00 13.42 C ATOM 635 CG LEU A 40 -1.236 -5.937 -1.052 1.00 24.44 C ATOM 636 CD1 LEU A 40 -2.087 -5.074 -0.109 1.00 41.44 C ATOM 637 CD2 LEU A 40 0.012 -5.179 -1.551 1.00 1.43 C ATOM 0 H LEU A 40 -1.533 -8.885 -2.393 1.00 32.21 H new ATOM 0 HA LEU A 40 1.000 -7.761 -1.322 1.00 2.12 H new ATOM 0 HB2 LEU A 40 -1.801 -7.803 -0.144 1.00 13.42 H new ATOM 0 HB3 LEU A 40 -0.389 -7.057 0.577 1.00 13.42 H new ATOM 0 HG LEU A 40 -1.830 -6.162 -1.937 1.00 24.44 H new ATOM 0 HD11 LEU A 40 -2.334 -4.133 -0.601 1.00 41.44 H new ATOM 0 HD12 LEU A 40 -3.005 -5.605 0.141 1.00 41.44 H new ATOM 0 HD13 LEU A 40 -1.526 -4.870 0.803 1.00 41.44 H new ATOM 0 HD21 LEU A 40 -0.294 -4.243 -2.019 1.00 1.43 H new ATOM 0 HD22 LEU A 40 0.669 -4.965 -0.708 1.00 1.43 H new ATOM 0 HD23 LEU A 40 0.544 -5.792 -2.279 1.00 1.43 H new ATOM 649 N ASN A 41 -0.775 -10.047 0.294 1.00 62.30 N ATOM 650 CA ASN A 41 -0.795 -11.308 1.079 1.00 74.13 C ATOM 651 C ASN A 41 0.506 -11.560 1.868 1.00 2.32 C ATOM 652 O ASN A 41 1.289 -12.442 1.506 1.00 63.50 O ATOM 653 CB ASN A 41 -1.157 -12.522 0.161 1.00 11.04 C ATOM 654 CG ASN A 41 -2.537 -12.402 -0.489 1.00 4.35 C ATOM 655 OD1 ASN A 41 -3.029 -11.299 -0.721 1.00 13.42 O ATOM 656 ND2 ASN A 41 -3.169 -13.524 -0.802 1.00 23.31 N ATOM 0 H ASN A 41 -1.683 -9.582 0.287 1.00 62.30 H new ATOM 0 HA ASN A 41 -1.575 -11.195 1.832 1.00 74.13 H new ATOM 0 HB2 ASN A 41 -0.402 -12.615 -0.620 1.00 11.04 H new ATOM 0 HB3 ASN A 41 -1.120 -13.438 0.751 1.00 11.04 H new ATOM 0 HD21 ASN A 41 -4.086 -13.486 -1.246 1.00 23.31 H new ATOM 0 HD22 ASN A 41 -2.738 -14.426 -0.598 1.00 23.31 H new ATOM 663 N SER A 42 0.741 -10.704 2.891 1.00 3.23 N ATOM 664 CA SER A 42 1.855 -10.819 3.872 1.00 31.42 C ATOM 665 C SER A 42 3.235 -10.461 3.276 1.00 75.23 C ATOM 666 O SER A 42 3.801 -9.416 3.619 1.00 51.54 O ATOM 667 CB SER A 42 1.906 -12.213 4.553 1.00 43.21 C ATOM 668 OG SER A 42 0.674 -12.512 5.164 1.00 42.23 O ATOM 0 H SER A 42 0.148 -9.892 3.064 1.00 3.23 H new ATOM 0 HA SER A 42 1.631 -10.075 4.637 1.00 31.42 H new ATOM 0 HB2 SER A 42 2.146 -12.977 3.813 1.00 43.21 H new ATOM 0 HB3 SER A 42 2.701 -12.231 5.298 1.00 43.21 H new ATOM 0 HG SER A 42 0.724 -13.395 5.587 1.00 42.23 H new ATOM 673 N MET A 43 3.750 -11.336 2.379 1.00 31.41 N ATOM 674 CA MET A 43 5.144 -11.295 1.870 1.00 60.55 C ATOM 675 C MET A 43 5.489 -9.953 1.229 1.00 51.41 C ATOM 676 O MET A 43 6.585 -9.432 1.407 1.00 15.12 O ATOM 677 CB MET A 43 5.373 -12.457 0.868 1.00 51.52 C ATOM 678 CG MET A 43 5.031 -13.862 1.422 1.00 51.22 C ATOM 679 SD MET A 43 6.027 -14.357 2.862 1.00 44.54 S ATOM 680 CE MET A 43 5.071 -13.795 4.277 1.00 53.24 C ATOM 0 H MET A 43 3.203 -12.100 1.983 1.00 31.41 H new ATOM 0 HA MET A 43 5.811 -11.416 2.723 1.00 60.55 H new ATOM 0 HB2 MET A 43 4.771 -12.275 -0.022 1.00 51.52 H new ATOM 0 HB3 MET A 43 6.417 -12.449 0.554 1.00 51.52 H new ATOM 0 HG2 MET A 43 3.977 -13.885 1.698 1.00 51.22 H new ATOM 0 HG3 MET A 43 5.169 -14.597 0.629 1.00 51.22 H new ATOM 0 HE1 MET A 43 5.512 -14.188 5.193 1.00 53.24 H new ATOM 0 HE2 MET A 43 5.076 -12.706 4.310 1.00 53.24 H new ATOM 0 HE3 MET A 43 4.044 -14.150 4.187 1.00 53.24 H new ATOM 690 N ASN A 44 4.522 -9.412 0.486 1.00 3.32 N ATOM 691 CA ASN A 44 4.651 -8.110 -0.195 1.00 32.21 C ATOM 692 C ASN A 44 4.267 -6.973 0.775 1.00 32.04 C ATOM 693 O ASN A 44 4.897 -5.924 0.767 1.00 30.53 O ATOM 694 CB ASN A 44 3.801 -8.079 -1.486 1.00 44.11 C ATOM 695 CG ASN A 44 4.143 -9.213 -2.467 1.00 72.44 C ATOM 696 OD1 ASN A 44 5.051 -9.093 -3.280 1.00 21.53 O ATOM 697 ND2 ASN A 44 3.413 -10.319 -2.413 1.00 54.10 N ATOM 0 H ASN A 44 3.620 -9.863 0.335 1.00 3.32 H new ATOM 0 HA ASN A 44 5.689 -7.963 -0.494 1.00 32.21 H new ATOM 0 HB2 ASN A 44 2.746 -8.144 -1.220 1.00 44.11 H new ATOM 0 HB3 ASN A 44 3.945 -7.121 -1.985 1.00 44.11 H new ATOM 0 HD21 ASN A 44 3.604 -11.088 -3.055 1.00 54.10 H new ATOM 0 HD22 ASN A 44 2.661 -10.401 -1.729 1.00 54.10 H new ATOM 704 N ILE A 45 3.282 -7.243 1.665 1.00 31.15 N ATOM 705 CA ILE A 45 2.748 -6.272 2.672 1.00 72.25 C ATOM 706 C ILE A 45 3.849 -5.677 3.573 1.00 14.02 C ATOM 707 O ILE A 45 3.799 -4.490 3.912 1.00 71.13 O ATOM 708 CB ILE A 45 1.595 -6.961 3.545 1.00 42.33 C ATOM 709 CG1 ILE A 45 0.198 -6.686 2.924 1.00 12.41 C ATOM 710 CG2 ILE A 45 1.622 -6.577 5.046 1.00 34.12 C ATOM 711 CD1 ILE A 45 -0.934 -7.516 3.488 1.00 50.34 C ATOM 0 H ILE A 45 2.824 -8.153 1.711 1.00 31.15 H new ATOM 0 HA ILE A 45 2.323 -5.434 2.119 1.00 72.25 H new ATOM 0 HB ILE A 45 1.798 -8.031 3.515 1.00 42.33 H new ATOM 0 HG12 ILE A 45 -0.042 -5.632 3.063 1.00 12.41 H new ATOM 0 HG13 ILE A 45 0.255 -6.861 1.850 1.00 12.41 H new ATOM 0 HG21 ILE A 45 0.810 -7.085 5.566 1.00 34.12 H new ATOM 0 HG22 ILE A 45 2.575 -6.877 5.481 1.00 34.12 H new ATOM 0 HG23 ILE A 45 1.500 -5.499 5.148 1.00 34.12 H new ATOM 0 HD11 ILE A 45 -1.865 -7.248 2.989 1.00 50.34 H new ATOM 0 HD12 ILE A 45 -0.726 -8.574 3.325 1.00 50.34 H new ATOM 0 HD13 ILE A 45 -1.028 -7.325 4.557 1.00 50.34 H new ATOM 723 N VAL A 46 4.831 -6.512 3.942 1.00 11.13 N ATOM 724 CA VAL A 46 5.924 -6.119 4.860 1.00 22.54 C ATOM 725 C VAL A 46 6.807 -5.017 4.225 1.00 51.21 C ATOM 726 O VAL A 46 7.314 -4.126 4.921 1.00 51.41 O ATOM 727 CB VAL A 46 6.785 -7.363 5.285 1.00 43.34 C ATOM 728 CG1 VAL A 46 7.891 -6.960 6.283 1.00 44.45 C ATOM 729 CG2 VAL A 46 5.901 -8.483 5.894 1.00 63.13 C ATOM 0 H VAL A 46 4.895 -7.477 3.617 1.00 11.13 H new ATOM 0 HA VAL A 46 5.472 -5.708 5.763 1.00 22.54 H new ATOM 0 HB VAL A 46 7.256 -7.752 4.382 1.00 43.34 H new ATOM 0 HG11 VAL A 46 8.470 -7.841 6.559 1.00 44.45 H new ATOM 0 HG12 VAL A 46 8.548 -6.224 5.820 1.00 44.45 H new ATOM 0 HG13 VAL A 46 7.437 -6.530 7.176 1.00 44.45 H new ATOM 0 HG21 VAL A 46 6.528 -9.328 6.177 1.00 63.13 H new ATOM 0 HG22 VAL A 46 5.387 -8.101 6.776 1.00 63.13 H new ATOM 0 HG23 VAL A 46 5.166 -8.807 5.157 1.00 63.13 H new ATOM 739 N LYS A 47 6.928 -5.063 2.885 1.00 25.42 N ATOM 740 CA LYS A 47 7.677 -4.050 2.113 1.00 61.31 C ATOM 741 C LYS A 47 6.918 -2.717 2.111 1.00 51.30 C ATOM 742 O LYS A 47 7.539 -1.660 2.056 1.00 14.12 O ATOM 743 CB LYS A 47 7.962 -4.506 0.657 1.00 65.12 C ATOM 744 CG LYS A 47 9.033 -5.610 0.521 1.00 24.24 C ATOM 745 CD LYS A 47 8.613 -6.960 1.142 1.00 53.25 C ATOM 746 CE LYS A 47 9.634 -8.080 0.880 1.00 70.01 C ATOM 747 NZ LYS A 47 10.966 -7.776 1.459 1.00 70.42 N ATOM 0 H LYS A 47 6.514 -5.796 2.310 1.00 25.42 H new ATOM 0 HA LYS A 47 8.641 -3.920 2.604 1.00 61.31 H new ATOM 0 HB2 LYS A 47 7.032 -4.865 0.215 1.00 65.12 H new ATOM 0 HB3 LYS A 47 8.278 -3.640 0.075 1.00 65.12 H new ATOM 0 HG2 LYS A 47 9.256 -5.760 -0.535 1.00 24.24 H new ATOM 0 HG3 LYS A 47 9.954 -5.272 0.997 1.00 24.24 H new ATOM 0 HD2 LYS A 47 8.485 -6.836 2.217 1.00 53.25 H new ATOM 0 HD3 LYS A 47 7.645 -7.255 0.737 1.00 53.25 H new ATOM 0 HE2 LYS A 47 9.262 -9.014 1.302 1.00 70.01 H new ATOM 0 HE3 LYS A 47 9.734 -8.233 -0.195 1.00 70.01 H new ATOM 0 HZ1 LYS A 47 11.605 -8.581 1.301 1.00 70.42 H new ATOM 0 HZ2 LYS A 47 11.358 -6.928 1.002 1.00 70.42 H new ATOM 0 HZ3 LYS A 47 10.870 -7.606 2.480 1.00 70.42 H new ATOM 761 N LEU A 48 5.570 -2.786 2.164 1.00 60.35 N ATOM 762 CA LEU A 48 4.703 -1.589 2.272 1.00 75.34 C ATOM 763 C LEU A 48 4.814 -0.945 3.668 1.00 31.31 C ATOM 764 O LEU A 48 4.793 0.282 3.770 1.00 73.23 O ATOM 765 CB LEU A 48 3.209 -1.905 1.927 1.00 34.21 C ATOM 766 CG LEU A 48 2.859 -2.080 0.398 1.00 2.03 C ATOM 767 CD1 LEU A 48 3.331 -0.856 -0.439 1.00 34.32 C ATOM 768 CD2 LEU A 48 3.408 -3.399 -0.198 1.00 63.44 C ATOM 0 H LEU A 48 5.054 -3.665 2.134 1.00 60.35 H new ATOM 0 HA LEU A 48 5.062 -0.874 1.532 1.00 75.34 H new ATOM 0 HB2 LEU A 48 2.925 -2.819 2.448 1.00 34.21 H new ATOM 0 HB3 LEU A 48 2.590 -1.103 2.329 1.00 34.21 H new ATOM 0 HG LEU A 48 1.772 -2.136 0.341 1.00 2.03 H new ATOM 0 HD11 LEU A 48 3.074 -1.011 -1.487 1.00 34.32 H new ATOM 0 HD12 LEU A 48 2.839 0.046 -0.074 1.00 34.32 H new ATOM 0 HD13 LEU A 48 4.411 -0.744 -0.343 1.00 34.32 H new ATOM 0 HD21 LEU A 48 3.136 -3.463 -1.252 1.00 63.44 H new ATOM 0 HD22 LEU A 48 4.494 -3.418 -0.102 1.00 63.44 H new ATOM 0 HD23 LEU A 48 2.982 -4.246 0.339 1.00 63.44 H new ATOM 780 N MET A 49 4.961 -1.785 4.727 1.00 64.14 N ATOM 781 CA MET A 49 5.113 -1.299 6.133 1.00 22.24 C ATOM 782 C MET A 49 6.304 -0.335 6.231 1.00 71.32 C ATOM 783 O MET A 49 6.185 0.781 6.752 1.00 54.34 O ATOM 784 CB MET A 49 5.354 -2.462 7.150 1.00 11.41 C ATOM 785 CG MET A 49 4.293 -3.568 7.191 1.00 31.13 C ATOM 786 SD MET A 49 4.743 -4.831 8.409 1.00 21.31 S ATOM 787 CE MET A 49 3.637 -6.182 8.026 1.00 51.31 C ATOM 0 H MET A 49 4.978 -2.801 4.638 1.00 64.14 H new ATOM 0 HA MET A 49 4.178 -0.801 6.388 1.00 22.24 H new ATOM 0 HB2 MET A 49 6.316 -2.921 6.921 1.00 11.41 H new ATOM 0 HB3 MET A 49 5.436 -2.031 8.148 1.00 11.41 H new ATOM 0 HG2 MET A 49 3.323 -3.140 7.443 1.00 31.13 H new ATOM 0 HG3 MET A 49 4.195 -4.023 6.205 1.00 31.13 H new ATOM 0 HE1 MET A 49 3.226 -6.589 8.950 1.00 51.31 H new ATOM 0 HE2 MET A 49 2.825 -5.820 7.396 1.00 51.31 H new ATOM 0 HE3 MET A 49 4.185 -6.962 7.498 1.00 51.31 H new ATOM 797 N VAL A 50 7.448 -0.799 5.700 1.00 61.12 N ATOM 798 CA VAL A 50 8.717 -0.055 5.739 1.00 23.20 C ATOM 799 C VAL A 50 8.780 1.035 4.644 1.00 1.42 C ATOM 800 O VAL A 50 9.479 2.040 4.817 1.00 41.03 O ATOM 801 CB VAL A 50 9.954 -1.026 5.624 1.00 14.31 C ATOM 802 CG1 VAL A 50 10.009 -1.747 4.254 1.00 73.52 C ATOM 803 CG2 VAL A 50 11.280 -0.290 5.924 1.00 1.22 C ATOM 0 H VAL A 50 7.518 -1.702 5.231 1.00 61.12 H new ATOM 0 HA VAL A 50 8.761 0.444 6.707 1.00 23.20 H new ATOM 0 HB VAL A 50 9.820 -1.796 6.383 1.00 14.31 H new ATOM 0 HG11 VAL A 50 10.878 -2.404 4.223 1.00 73.52 H new ATOM 0 HG12 VAL A 50 9.103 -2.337 4.117 1.00 73.52 H new ATOM 0 HG13 VAL A 50 10.085 -1.008 3.457 1.00 73.52 H new ATOM 0 HG21 VAL A 50 12.112 -0.989 5.836 1.00 1.22 H new ATOM 0 HG22 VAL A 50 11.413 0.525 5.212 1.00 1.22 H new ATOM 0 HG23 VAL A 50 11.251 0.114 6.936 1.00 1.22 H new ATOM 813 N TYR A 51 8.036 0.842 3.528 1.00 64.13 N ATOM 814 CA TYR A 51 8.008 1.817 2.407 1.00 2.13 C ATOM 815 C TYR A 51 7.470 3.154 2.904 1.00 11.13 C ATOM 816 O TYR A 51 8.150 4.159 2.849 1.00 54.14 O ATOM 817 CB TYR A 51 7.126 1.326 1.225 1.00 3.11 C ATOM 818 CG TYR A 51 7.264 2.201 -0.039 1.00 23.03 C ATOM 819 CD1 TYR A 51 8.364 2.056 -0.880 1.00 25.12 C ATOM 820 CD2 TYR A 51 6.310 3.169 -0.381 1.00 3.42 C ATOM 821 CE1 TYR A 51 8.508 2.835 -2.014 1.00 42.42 C ATOM 822 CE2 TYR A 51 6.451 3.948 -1.512 1.00 24.25 C ATOM 823 CZ TYR A 51 7.548 3.781 -2.329 1.00 30.13 C ATOM 824 OH TYR A 51 7.684 4.569 -3.457 1.00 51.42 O ATOM 0 H TYR A 51 7.448 0.022 3.379 1.00 64.13 H new ATOM 0 HA TYR A 51 9.030 1.925 2.044 1.00 2.13 H new ATOM 0 HB2 TYR A 51 7.397 0.299 0.980 1.00 3.11 H new ATOM 0 HB3 TYR A 51 6.082 1.314 1.539 1.00 3.11 H new ATOM 0 HD1 TYR A 51 9.119 1.321 -0.643 1.00 25.12 H new ATOM 0 HD2 TYR A 51 5.447 3.308 0.253 1.00 3.42 H new ATOM 0 HE1 TYR A 51 9.369 2.705 -2.653 1.00 42.42 H new ATOM 0 HE2 TYR A 51 5.703 4.687 -1.756 1.00 24.25 H new ATOM 0 HH TYR A 51 6.919 5.178 -3.525 1.00 51.42 H new ATOM 834 N ILE A 52 6.248 3.089 3.431 1.00 41.11 N ATOM 835 CA ILE A 52 5.459 4.246 3.902 1.00 55.23 C ATOM 836 C ILE A 52 6.170 4.939 5.087 1.00 31.40 C ATOM 837 O ILE A 52 6.121 6.168 5.229 1.00 62.55 O ATOM 838 CB ILE A 52 4.018 3.717 4.276 1.00 21.31 C ATOM 839 CG1 ILE A 52 3.379 3.014 3.024 1.00 10.44 C ATOM 840 CG2 ILE A 52 3.101 4.834 4.810 1.00 33.30 C ATOM 841 CD1 ILE A 52 2.176 2.145 3.324 1.00 24.53 C ATOM 0 H ILE A 52 5.756 2.203 3.549 1.00 41.11 H new ATOM 0 HA ILE A 52 5.366 5.005 3.126 1.00 55.23 H new ATOM 0 HB ILE A 52 4.124 2.995 5.086 1.00 21.31 H new ATOM 0 HG12 ILE A 52 3.085 3.780 2.306 1.00 10.44 H new ATOM 0 HG13 ILE A 52 4.140 2.401 2.542 1.00 10.44 H new ATOM 0 HG21 ILE A 52 2.123 4.417 5.052 1.00 33.30 H new ATOM 0 HG22 ILE A 52 3.542 5.269 5.707 1.00 33.30 H new ATOM 0 HG23 ILE A 52 2.988 5.607 4.050 1.00 33.30 H new ATOM 0 HD11 ILE A 52 1.806 1.704 2.399 1.00 24.53 H new ATOM 0 HD12 ILE A 52 2.463 1.352 4.015 1.00 24.53 H new ATOM 0 HD13 ILE A 52 1.392 2.753 3.775 1.00 24.53 H new ATOM 853 N ARG A 53 6.866 4.123 5.903 1.00 65.52 N ATOM 854 CA ARG A 53 7.743 4.585 7.015 1.00 73.33 C ATOM 855 C ARG A 53 8.869 5.500 6.484 1.00 44.12 C ATOM 856 O ARG A 53 9.087 6.601 7.001 1.00 22.44 O ATOM 857 CB ARG A 53 8.332 3.333 7.734 1.00 1.12 C ATOM 858 CG ARG A 53 9.473 3.582 8.757 1.00 53.22 C ATOM 859 CD ARG A 53 9.028 4.247 10.080 1.00 64.42 C ATOM 860 NE ARG A 53 8.916 5.717 10.017 1.00 72.25 N ATOM 861 CZ ARG A 53 8.033 6.448 10.719 1.00 43.15 C ATOM 862 NH1 ARG A 53 7.138 5.869 11.508 1.00 32.53 N ATOM 863 NH2 ARG A 53 8.102 7.772 10.692 1.00 22.34 N ATOM 0 H ARG A 53 6.839 3.107 5.813 1.00 65.52 H new ATOM 0 HA ARG A 53 7.159 5.172 7.724 1.00 73.33 H new ATOM 0 HB2 ARG A 53 7.518 2.825 8.251 1.00 1.12 H new ATOM 0 HB3 ARG A 53 8.703 2.648 6.972 1.00 1.12 H new ATOM 0 HG2 ARG A 53 9.948 2.629 8.988 1.00 53.22 H new ATOM 0 HG3 ARG A 53 10.231 4.210 8.288 1.00 53.22 H new ATOM 0 HD2 ARG A 53 8.063 3.834 10.373 1.00 64.42 H new ATOM 0 HD3 ARG A 53 9.739 3.982 10.862 1.00 64.42 H new ATOM 0 HE ARG A 53 9.555 6.214 9.396 1.00 72.25 H new ATOM 0 HH11 ARG A 53 7.112 4.853 11.590 1.00 32.53 H new ATOM 0 HH12 ARG A 53 6.476 6.440 12.033 1.00 32.53 H new ATOM 0 HH21 ARG A 53 8.824 8.234 10.139 1.00 22.34 H new ATOM 0 HH22 ARG A 53 7.433 8.329 11.224 1.00 22.34 H new ATOM 877 N ASP A 54 9.548 5.015 5.441 1.00 55.42 N ATOM 878 CA ASP A 54 10.678 5.699 4.780 1.00 12.11 C ATOM 879 C ASP A 54 10.192 6.916 3.959 1.00 53.43 C ATOM 880 O ASP A 54 10.794 7.993 3.987 1.00 55.11 O ATOM 881 CB ASP A 54 11.401 4.658 3.870 1.00 73.22 C ATOM 882 CG ASP A 54 12.553 5.240 3.036 1.00 52.02 C ATOM 883 OD1 ASP A 54 13.677 5.379 3.565 1.00 74.44 O ATOM 884 OD2 ASP A 54 12.341 5.580 1.854 1.00 53.25 O ATOM 0 H ASP A 54 9.327 4.114 5.017 1.00 55.42 H new ATOM 0 HA ASP A 54 11.370 6.085 5.529 1.00 12.11 H new ATOM 0 HB2 ASP A 54 11.790 3.855 4.495 1.00 73.22 H new ATOM 0 HB3 ASP A 54 10.670 4.212 3.196 1.00 73.22 H new ATOM 889 N GLU A 55 9.047 6.729 3.299 1.00 31.44 N ATOM 890 CA GLU A 55 8.559 7.594 2.216 1.00 13.15 C ATOM 891 C GLU A 55 7.837 8.834 2.757 1.00 71.21 C ATOM 892 O GLU A 55 8.149 9.957 2.366 1.00 2.44 O ATOM 893 CB GLU A 55 7.627 6.751 1.304 1.00 72.04 C ATOM 894 CG GLU A 55 7.057 7.465 0.070 1.00 74.34 C ATOM 895 CD GLU A 55 8.103 7.996 -0.934 1.00 24.11 C ATOM 896 OE1 GLU A 55 9.006 7.232 -1.339 1.00 32.24 O ATOM 897 OE2 GLU A 55 8.001 9.174 -1.343 1.00 21.50 O ATOM 0 H GLU A 55 8.416 5.954 3.506 1.00 31.44 H new ATOM 0 HA GLU A 55 9.407 7.964 1.640 1.00 13.15 H new ATOM 0 HB2 GLU A 55 8.180 5.874 0.967 1.00 72.04 H new ATOM 0 HB3 GLU A 55 6.793 6.390 1.906 1.00 72.04 H new ATOM 0 HG2 GLU A 55 6.394 6.775 -0.453 1.00 74.34 H new ATOM 0 HG3 GLU A 55 6.445 8.302 0.407 1.00 74.34 H new ATOM 904 N MET A 56 6.876 8.632 3.656 1.00 42.44 N ATOM 905 CA MET A 56 6.011 9.737 4.155 1.00 50.31 C ATOM 906 C MET A 56 6.060 9.851 5.686 1.00 5.30 C ATOM 907 O MET A 56 5.358 10.689 6.273 1.00 13.44 O ATOM 908 CB MET A 56 4.573 9.517 3.637 1.00 11.43 C ATOM 909 CG MET A 56 3.823 8.365 4.285 1.00 75.03 C ATOM 910 SD MET A 56 2.333 7.946 3.373 1.00 5.55 S ATOM 911 CE MET A 56 3.030 7.079 1.965 1.00 24.02 C ATOM 0 H MET A 56 6.665 7.721 4.063 1.00 42.44 H new ATOM 0 HA MET A 56 6.384 10.687 3.772 1.00 50.31 H new ATOM 0 HB2 MET A 56 4.004 10.433 3.792 1.00 11.43 H new ATOM 0 HB3 MET A 56 4.613 9.345 2.561 1.00 11.43 H new ATOM 0 HG2 MET A 56 4.474 7.492 4.340 1.00 75.03 H new ATOM 0 HG3 MET A 56 3.560 8.632 5.309 1.00 75.03 H new ATOM 0 HE1 MET A 56 2.236 6.833 1.260 1.00 24.02 H new ATOM 0 HE2 MET A 56 3.767 7.715 1.474 1.00 24.02 H new ATOM 0 HE3 MET A 56 3.511 6.162 2.304 1.00 24.02 H new ATOM 921 N GLY A 57 6.897 9.010 6.324 1.00 2.54 N ATOM 922 CA GLY A 57 7.084 9.040 7.769 1.00 40.12 C ATOM 923 C GLY A 57 5.935 8.401 8.544 1.00 32.22 C ATOM 924 O GLY A 57 5.585 8.865 9.636 1.00 70.00 O ATOM 0 H GLY A 57 7.454 8.300 5.848 1.00 2.54 H new ATOM 0 HA2 GLY A 57 8.011 8.524 8.018 1.00 40.12 H new ATOM 0 HA3 GLY A 57 7.198 10.075 8.091 1.00 40.12 H new ATOM 928 N VAL A 58 5.359 7.317 7.996 1.00 3.10 N ATOM 929 CA VAL A 58 4.263 6.562 8.649 1.00 51.50 C ATOM 930 C VAL A 58 4.579 5.061 8.632 1.00 32.40 C ATOM 931 O VAL A 58 4.595 4.446 7.574 1.00 1.14 O ATOM 932 CB VAL A 58 2.899 6.818 7.892 1.00 2.20 C ATOM 933 CG1 VAL A 58 1.763 5.916 8.415 1.00 31.35 C ATOM 934 CG2 VAL A 58 2.487 8.298 7.954 1.00 71.11 C ATOM 0 H VAL A 58 5.635 6.936 7.091 1.00 3.10 H new ATOM 0 HA VAL A 58 4.172 6.903 9.680 1.00 51.50 H new ATOM 0 HB VAL A 58 3.072 6.556 6.848 1.00 2.20 H new ATOM 0 HG11 VAL A 58 0.847 6.129 7.864 1.00 31.35 H new ATOM 0 HG12 VAL A 58 2.036 4.870 8.276 1.00 31.35 H new ATOM 0 HG13 VAL A 58 1.603 6.111 9.475 1.00 31.35 H new ATOM 0 HG21 VAL A 58 1.545 8.436 7.423 1.00 71.11 H new ATOM 0 HG22 VAL A 58 2.364 8.598 8.995 1.00 71.11 H new ATOM 0 HG23 VAL A 58 3.259 8.910 7.488 1.00 71.11 H new ATOM 944 N SER A 59 4.795 4.465 9.800 1.00 73.54 N ATOM 945 CA SER A 59 4.899 3.014 9.934 1.00 33.53 C ATOM 946 C SER A 59 3.497 2.451 10.126 1.00 2.44 C ATOM 947 O SER A 59 2.772 2.934 11.008 1.00 64.54 O ATOM 948 CB SER A 59 5.804 2.663 11.133 1.00 64.41 C ATOM 949 OG SER A 59 5.476 3.438 12.277 1.00 34.51 O ATOM 0 H SER A 59 4.903 4.971 10.679 1.00 73.54 H new ATOM 0 HA SER A 59 5.345 2.578 9.040 1.00 33.53 H new ATOM 0 HB2 SER A 59 5.703 1.604 11.369 1.00 64.41 H new ATOM 0 HB3 SER A 59 6.847 2.832 10.865 1.00 64.41 H new ATOM 0 HG SER A 59 4.508 3.589 12.304 1.00 34.51 H new ATOM 955 N ILE A 60 3.091 1.478 9.282 1.00 61.24 N ATOM 956 CA ILE A 60 1.870 0.694 9.518 1.00 3.43 C ATOM 957 C ILE A 60 2.146 -0.242 10.719 1.00 22.15 C ATOM 958 O ILE A 60 2.964 -1.169 10.596 1.00 23.51 O ATOM 959 CB ILE A 60 1.434 -0.183 8.281 1.00 55.22 C ATOM 960 CG1 ILE A 60 1.290 0.659 6.968 1.00 1.41 C ATOM 961 CG2 ILE A 60 0.105 -0.928 8.593 1.00 14.23 C ATOM 962 CD1 ILE A 60 0.047 1.540 6.919 1.00 72.11 C ATOM 0 H ILE A 60 3.594 1.220 8.433 1.00 61.24 H new ATOM 0 HA ILE A 60 1.054 1.392 9.706 1.00 3.43 H new ATOM 0 HB ILE A 60 2.227 -0.910 8.108 1.00 55.22 H new ATOM 0 HG12 ILE A 60 2.172 1.289 6.856 1.00 1.41 H new ATOM 0 HG13 ILE A 60 1.273 -0.020 6.115 1.00 1.41 H new ATOM 0 HG21 ILE A 60 -0.186 -1.530 7.732 1.00 14.23 H new ATOM 0 HG22 ILE A 60 0.246 -1.576 9.458 1.00 14.23 H new ATOM 0 HG23 ILE A 60 -0.678 -0.201 8.808 1.00 14.23 H new ATOM 0 HD11 ILE A 60 0.026 2.088 5.977 1.00 72.11 H new ATOM 0 HD12 ILE A 60 -0.844 0.917 6.996 1.00 72.11 H new ATOM 0 HD13 ILE A 60 0.069 2.246 7.749 1.00 72.11 H new ATOM 974 N PRO A 61 1.506 0.005 11.903 1.00 1.53 N ATOM 975 CA PRO A 61 1.718 -0.835 13.093 1.00 22.00 C ATOM 976 C PRO A 61 1.042 -2.203 12.943 1.00 14.02 C ATOM 977 O PRO A 61 0.157 -2.388 12.093 1.00 2.02 O ATOM 978 CB PRO A 61 1.085 -0.005 14.231 1.00 41.11 C ATOM 979 CG PRO A 61 0.012 0.789 13.557 1.00 23.13 C ATOM 980 CD PRO A 61 0.531 1.105 12.175 1.00 10.00 C ATOM 0 HA PRO A 61 2.769 -1.063 13.272 1.00 22.00 H new ATOM 0 HB2 PRO A 61 0.675 -0.647 15.011 1.00 41.11 H new ATOM 0 HB3 PRO A 61 1.821 0.644 14.707 1.00 41.11 H new ATOM 0 HG2 PRO A 61 -0.917 0.222 13.504 1.00 23.13 H new ATOM 0 HG3 PRO A 61 -0.203 1.703 14.111 1.00 23.13 H new ATOM 0 HD2 PRO A 61 -0.273 1.119 11.439 1.00 10.00 H new ATOM 0 HD3 PRO A 61 1.011 2.083 12.141 1.00 10.00 H new ATOM 988 N SER A 62 1.464 -3.129 13.801 1.00 32.33 N ATOM 989 CA SER A 62 1.030 -4.528 13.789 1.00 2.32 C ATOM 990 C SER A 62 -0.493 -4.686 14.052 1.00 11.23 C ATOM 991 O SER A 62 -1.104 -5.672 13.629 1.00 71.02 O ATOM 992 CB SER A 62 1.881 -5.293 14.818 1.00 33.11 C ATOM 993 OG SER A 62 1.905 -4.624 16.072 1.00 73.11 O ATOM 0 H SER A 62 2.134 -2.924 14.543 1.00 32.33 H new ATOM 0 HA SER A 62 1.184 -4.947 12.794 1.00 2.32 H new ATOM 0 HB2 SER A 62 1.480 -6.298 14.948 1.00 33.11 H new ATOM 0 HB3 SER A 62 2.898 -5.401 14.442 1.00 33.11 H new ATOM 0 HG SER A 62 2.452 -5.135 16.705 1.00 73.11 H new ATOM 999 N THR A 63 -1.089 -3.698 14.740 1.00 34.03 N ATOM 1000 CA THR A 63 -2.548 -3.634 14.963 1.00 33.35 C ATOM 1001 C THR A 63 -3.307 -3.210 13.686 1.00 11.23 C ATOM 1002 O THR A 63 -4.458 -3.580 13.506 1.00 73.51 O ATOM 1003 CB THR A 63 -2.887 -2.674 16.154 1.00 4.23 C ATOM 1004 OG1 THR A 63 -4.306 -2.638 16.399 1.00 62.34 O ATOM 1005 CG2 THR A 63 -2.353 -1.248 15.926 1.00 41.43 C ATOM 0 H THR A 63 -0.576 -2.921 15.158 1.00 34.03 H new ATOM 0 HA THR A 63 -2.881 -4.639 15.222 1.00 33.35 H new ATOM 0 HB THR A 63 -2.384 -3.077 17.033 1.00 4.23 H new ATOM 0 HG1 THR A 63 -4.494 -2.034 17.147 1.00 62.34 H new ATOM 0 HG21 THR A 63 -2.613 -0.621 16.779 1.00 41.43 H new ATOM 0 HG22 THR A 63 -1.269 -1.279 15.816 1.00 41.43 H new ATOM 0 HG23 THR A 63 -2.798 -0.833 15.022 1.00 41.43 H new ATOM 1013 N HIS A 64 -2.655 -2.428 12.803 1.00 63.23 N ATOM 1014 CA HIS A 64 -3.241 -1.997 11.502 1.00 30.33 C ATOM 1015 C HIS A 64 -2.907 -2.992 10.372 1.00 21.12 C ATOM 1016 O HIS A 64 -3.190 -2.713 9.200 1.00 71.25 O ATOM 1017 CB HIS A 64 -2.784 -0.544 11.150 1.00 20.12 C ATOM 1018 CG HIS A 64 -3.670 0.553 11.717 1.00 25.12 C ATOM 1019 ND1 HIS A 64 -3.559 1.041 13.001 1.00 73.21 N ATOM 1020 CD2 HIS A 64 -4.692 1.249 11.153 1.00 0.13 C ATOM 1021 CE1 HIS A 64 -4.470 1.981 13.200 1.00 4.30 C ATOM 1022 NE2 HIS A 64 -5.166 2.125 12.093 1.00 71.24 N ATOM 0 H HIS A 64 -1.712 -2.075 12.963 1.00 63.23 H new ATOM 0 HA HIS A 64 -4.326 -1.991 11.604 1.00 30.33 H new ATOM 0 HB2 HIS A 64 -1.768 -0.398 11.517 1.00 20.12 H new ATOM 0 HB3 HIS A 64 -2.750 -0.441 10.065 1.00 20.12 H new ATOM 0 HD2 HIS A 64 -5.063 1.132 10.146 1.00 0.13 H new ATOM 0 HE1 HIS A 64 -4.617 2.535 14.115 1.00 4.30 H new ATOM 0 HE2 HIS A 64 -5.934 2.782 11.957 1.00 71.24 H new ATOM 1031 N ILE A 65 -2.332 -4.167 10.715 1.00 2.00 N ATOM 1032 CA ILE A 65 -2.050 -5.223 9.725 1.00 13.12 C ATOM 1033 C ILE A 65 -3.278 -6.126 9.595 1.00 34.33 C ATOM 1034 O ILE A 65 -3.450 -7.096 10.342 1.00 54.41 O ATOM 1035 CB ILE A 65 -0.771 -6.052 10.111 1.00 22.11 C ATOM 1036 CG1 ILE A 65 0.451 -5.107 10.265 1.00 22.41 C ATOM 1037 CG2 ILE A 65 -0.466 -7.163 9.079 1.00 23.34 C ATOM 1038 CD1 ILE A 65 0.787 -4.308 9.025 1.00 74.55 C ATOM 0 H ILE A 65 -2.056 -4.404 11.668 1.00 2.00 H new ATOM 0 HA ILE A 65 -1.841 -4.758 8.762 1.00 13.12 H new ATOM 0 HB ILE A 65 -0.971 -6.541 11.064 1.00 22.11 H new ATOM 0 HG12 ILE A 65 0.259 -4.416 11.086 1.00 22.41 H new ATOM 0 HG13 ILE A 65 1.321 -5.701 10.546 1.00 22.41 H new ATOM 0 HG21 ILE A 65 0.425 -7.710 9.386 1.00 23.34 H new ATOM 0 HG22 ILE A 65 -1.311 -7.849 9.022 1.00 23.34 H new ATOM 0 HG23 ILE A 65 -0.297 -6.714 8.100 1.00 23.34 H new ATOM 0 HD11 ILE A 65 1.653 -3.676 9.223 1.00 74.55 H new ATOM 0 HD12 ILE A 65 1.015 -4.988 8.204 1.00 74.55 H new ATOM 0 HD13 ILE A 65 -0.064 -3.683 8.753 1.00 74.55 H new ATOM 1050 N THR A 66 -4.160 -5.728 8.673 1.00 20.12 N ATOM 1051 CA THR A 66 -5.359 -6.473 8.310 1.00 75.10 C ATOM 1052 C THR A 66 -5.789 -6.071 6.888 1.00 64.24 C ATOM 1053 O THR A 66 -5.512 -4.951 6.438 1.00 51.41 O ATOM 1054 CB THR A 66 -6.517 -6.274 9.352 1.00 32.30 C ATOM 1055 OG1 THR A 66 -7.762 -6.786 8.850 1.00 33.21 O ATOM 1056 CG2 THR A 66 -6.687 -4.807 9.740 1.00 30.15 C ATOM 0 H THR A 66 -4.054 -4.859 8.149 1.00 20.12 H new ATOM 0 HA THR A 66 -5.129 -7.538 8.324 1.00 75.10 H new ATOM 0 HB THR A 66 -6.235 -6.835 10.243 1.00 32.30 H new ATOM 0 HG1 THR A 66 -8.465 -6.651 9.519 1.00 33.21 H new ATOM 0 HG21 THR A 66 -7.498 -4.713 10.462 1.00 30.15 H new ATOM 0 HG22 THR A 66 -5.762 -4.438 10.183 1.00 30.15 H new ATOM 0 HG23 THR A 66 -6.923 -4.221 8.852 1.00 30.15 H new ATOM 1064 N GLY A 67 -6.479 -6.994 6.201 1.00 14.43 N ATOM 1065 CA GLY A 67 -6.904 -6.796 4.818 1.00 21.21 C ATOM 1066 C GLY A 67 -7.895 -5.639 4.624 1.00 64.24 C ATOM 1067 O GLY A 67 -8.007 -5.131 3.514 1.00 44.24 O ATOM 0 H GLY A 67 -6.755 -7.895 6.593 1.00 14.43 H new ATOM 0 HA2 GLY A 67 -6.024 -6.613 4.202 1.00 21.21 H new ATOM 0 HA3 GLY A 67 -7.361 -7.716 4.455 1.00 21.21 H new ATOM 1071 N LYS A 68 -8.604 -5.217 5.710 1.00 22.10 N ATOM 1072 CA LYS A 68 -9.614 -4.122 5.643 1.00 40.11 C ATOM 1073 C LYS A 68 -8.965 -2.744 5.365 1.00 54.54 C ATOM 1074 O LYS A 68 -9.622 -1.813 4.891 1.00 24.24 O ATOM 1075 CB LYS A 68 -10.454 -4.044 6.942 1.00 32.51 C ATOM 1076 CG LYS A 68 -9.689 -3.519 8.184 1.00 3.13 C ATOM 1077 CD LYS A 68 -10.573 -3.292 9.449 1.00 62.34 C ATOM 1078 CE LYS A 68 -10.998 -4.586 10.169 1.00 2.51 C ATOM 1079 NZ LYS A 68 -11.945 -5.406 9.370 1.00 52.12 N ATOM 0 H LYS A 68 -8.494 -5.619 6.641 1.00 22.10 H new ATOM 0 HA LYS A 68 -10.271 -4.366 4.808 1.00 40.11 H new ATOM 0 HB2 LYS A 68 -11.314 -3.398 6.763 1.00 32.51 H new ATOM 0 HB3 LYS A 68 -10.843 -5.037 7.166 1.00 32.51 H new ATOM 0 HG2 LYS A 68 -8.899 -4.227 8.433 1.00 3.13 H new ATOM 0 HG3 LYS A 68 -9.204 -2.578 7.924 1.00 3.13 H new ATOM 0 HD2 LYS A 68 -10.026 -2.663 10.151 1.00 62.34 H new ATOM 0 HD3 LYS A 68 -11.468 -2.742 9.158 1.00 62.34 H new ATOM 0 HE2 LYS A 68 -10.112 -5.179 10.394 1.00 2.51 H new ATOM 0 HE3 LYS A 68 -11.461 -4.331 11.122 1.00 2.51 H new ATOM 0 HZ1 LYS A 68 -12.675 -5.802 9.996 1.00 52.12 H new ATOM 0 HZ2 LYS A 68 -12.396 -4.810 8.647 1.00 52.12 H new ATOM 0 HZ3 LYS A 68 -11.428 -6.181 8.907 1.00 52.12 H new ATOM 1093 N TYR A 69 -7.689 -2.611 5.729 1.00 54.42 N ATOM 1094 CA TYR A 69 -6.910 -1.370 5.518 1.00 50.30 C ATOM 1095 C TYR A 69 -6.101 -1.416 4.228 1.00 52.21 C ATOM 1096 O TYR A 69 -5.671 -0.381 3.719 1.00 53.44 O ATOM 1097 CB TYR A 69 -6.007 -1.125 6.740 1.00 51.33 C ATOM 1098 CG TYR A 69 -6.810 -0.830 8.023 1.00 44.43 C ATOM 1099 CD1 TYR A 69 -7.914 0.047 8.002 1.00 13.25 C ATOM 1100 CD2 TYR A 69 -6.489 -1.421 9.240 1.00 33.33 C ATOM 1101 CE1 TYR A 69 -8.649 0.298 9.129 1.00 71.30 C ATOM 1102 CE2 TYR A 69 -7.238 -1.171 10.373 1.00 3.24 C ATOM 1103 CZ TYR A 69 -8.308 -0.307 10.313 1.00 72.51 C ATOM 1104 OH TYR A 69 -9.049 -0.066 11.437 1.00 22.12 O ATOM 0 H TYR A 69 -7.158 -3.356 6.180 1.00 54.42 H new ATOM 0 HA TYR A 69 -7.605 -0.537 5.413 1.00 50.30 H new ATOM 0 HB2 TYR A 69 -5.378 -2.000 6.903 1.00 51.33 H new ATOM 0 HB3 TYR A 69 -5.341 -0.288 6.532 1.00 51.33 H new ATOM 0 HD1 TYR A 69 -8.186 0.532 7.076 1.00 13.25 H new ATOM 0 HD2 TYR A 69 -5.640 -2.086 9.300 1.00 33.33 H new ATOM 0 HE1 TYR A 69 -9.494 0.969 9.087 1.00 71.30 H new ATOM 0 HE2 TYR A 69 -6.984 -1.653 11.306 1.00 3.24 H new ATOM 0 HH TYR A 69 -8.676 -0.572 12.189 1.00 22.12 H new ATOM 1114 N PHE A 70 -5.912 -2.625 3.703 1.00 72.10 N ATOM 1115 CA PHE A 70 -5.085 -2.888 2.512 1.00 35.30 C ATOM 1116 C PHE A 70 -5.941 -3.377 1.320 1.00 13.34 C ATOM 1117 O PHE A 70 -5.371 -3.851 0.326 1.00 32.12 O ATOM 1118 CB PHE A 70 -3.978 -3.928 2.880 1.00 34.32 C ATOM 1119 CG PHE A 70 -2.807 -3.393 3.733 1.00 33.43 C ATOM 1120 CD1 PHE A 70 -2.863 -3.394 5.130 1.00 24.23 C ATOM 1121 CD2 PHE A 70 -1.637 -2.919 3.124 1.00 21.44 C ATOM 1122 CE1 PHE A 70 -1.796 -2.938 5.883 1.00 53.32 C ATOM 1123 CE2 PHE A 70 -0.570 -2.470 3.878 1.00 54.53 C ATOM 1124 CZ PHE A 70 -0.648 -2.478 5.255 1.00 30.01 C ATOM 0 H PHE A 70 -6.333 -3.467 4.095 1.00 72.10 H new ATOM 0 HA PHE A 70 -4.614 -1.957 2.196 1.00 35.30 H new ATOM 0 HB2 PHE A 70 -4.446 -4.753 3.417 1.00 34.32 H new ATOM 0 HB3 PHE A 70 -3.571 -4.339 1.956 1.00 34.32 H new ATOM 0 HD1 PHE A 70 -3.751 -3.755 5.628 1.00 24.23 H new ATOM 0 HD2 PHE A 70 -1.568 -2.905 2.046 1.00 21.44 H new ATOM 0 HE1 PHE A 70 -1.857 -2.940 6.961 1.00 53.32 H new ATOM 0 HE2 PHE A 70 0.325 -2.113 3.390 1.00 54.53 H new ATOM 0 HZ PHE A 70 0.185 -2.126 5.845 1.00 30.01 H new ATOM 1134 N LYS A 71 -7.300 -3.231 1.421 1.00 33.02 N ATOM 1135 CA LYS A 71 -8.287 -3.773 0.423 1.00 44.22 C ATOM 1136 C LYS A 71 -7.897 -3.439 -1.016 1.00 24.53 C ATOM 1137 O LYS A 71 -7.930 -4.292 -1.889 1.00 1.10 O ATOM 1138 CB LYS A 71 -9.707 -3.210 0.678 1.00 34.24 C ATOM 1139 CG LYS A 71 -10.275 -3.536 2.064 1.00 43.00 C ATOM 1140 CD LYS A 71 -11.470 -2.640 2.450 1.00 52.11 C ATOM 1141 CE LYS A 71 -12.668 -2.790 1.516 1.00 44.40 C ATOM 1142 NZ LYS A 71 -13.146 -4.199 1.439 1.00 2.55 N ATOM 0 H LYS A 71 -7.743 -2.735 2.195 1.00 33.02 H new ATOM 0 HA LYS A 71 -8.280 -4.855 0.554 1.00 44.22 H new ATOM 0 HB2 LYS A 71 -9.684 -2.127 0.553 1.00 34.24 H new ATOM 0 HB3 LYS A 71 -10.383 -3.604 -0.081 1.00 34.24 H new ATOM 0 HG2 LYS A 71 -10.588 -4.580 2.086 1.00 43.00 H new ATOM 0 HG3 LYS A 71 -9.488 -3.423 2.809 1.00 43.00 H new ATOM 0 HD2 LYS A 71 -11.780 -2.879 3.467 1.00 52.11 H new ATOM 0 HD3 LYS A 71 -11.148 -1.599 2.451 1.00 52.11 H new ATOM 0 HE2 LYS A 71 -13.480 -2.151 1.863 1.00 44.40 H new ATOM 0 HE3 LYS A 71 -12.395 -2.445 0.519 1.00 44.40 H new ATOM 0 HZ1 LYS A 71 -14.038 -4.234 0.905 1.00 2.55 H new ATOM 0 HZ2 LYS A 71 -12.431 -4.782 0.959 1.00 2.55 H new ATOM 0 HZ3 LYS A 71 -13.303 -4.565 2.400 1.00 2.55 H new ATOM 1156 N ASP A 72 -7.538 -2.170 -1.208 1.00 24.13 N ATOM 1157 CA ASP A 72 -7.101 -1.604 -2.487 1.00 65.15 C ATOM 1158 C ASP A 72 -6.329 -0.317 -2.184 1.00 41.12 C ATOM 1159 O ASP A 72 -6.135 0.022 -1.010 1.00 64.12 O ATOM 1160 CB ASP A 72 -8.306 -1.357 -3.431 1.00 50.33 C ATOM 1161 CG ASP A 72 -9.243 -0.236 -2.953 1.00 41.23 C ATOM 1162 OD1 ASP A 72 -10.004 -0.445 -1.984 1.00 33.43 O ATOM 1163 OD2 ASP A 72 -9.224 0.859 -3.545 1.00 34.01 O ATOM 0 H ASP A 72 -7.543 -1.484 -0.453 1.00 24.13 H new ATOM 0 HA ASP A 72 -6.451 -2.303 -3.013 1.00 65.15 H new ATOM 0 HB2 ASP A 72 -7.933 -1.108 -4.425 1.00 50.33 H new ATOM 0 HB3 ASP A 72 -8.877 -2.280 -3.527 1.00 50.33 H new ATOM 1168 N LEU A 73 -5.882 0.395 -3.225 1.00 31.43 N ATOM 1169 CA LEU A 73 -5.070 1.621 -3.060 1.00 71.42 C ATOM 1170 C LEU A 73 -5.869 2.743 -2.362 1.00 31.52 C ATOM 1171 O LEU A 73 -5.305 3.516 -1.582 1.00 12.20 O ATOM 1172 CB LEU A 73 -4.530 2.127 -4.420 1.00 51.34 C ATOM 1173 CG LEU A 73 -3.595 3.373 -4.345 1.00 21.40 C ATOM 1174 CD1 LEU A 73 -2.283 3.026 -3.599 1.00 2.13 C ATOM 1175 CD2 LEU A 73 -3.325 3.964 -5.750 1.00 41.34 C ATOM 0 H LEU A 73 -6.066 0.147 -4.197 1.00 31.43 H new ATOM 0 HA LEU A 73 -4.224 1.356 -2.426 1.00 71.42 H new ATOM 0 HB2 LEU A 73 -3.986 1.314 -4.901 1.00 51.34 H new ATOM 0 HB3 LEU A 73 -5.378 2.368 -5.062 1.00 51.34 H new ATOM 0 HG LEU A 73 -4.105 4.148 -3.772 1.00 21.40 H new ATOM 0 HD11 LEU A 73 -1.644 3.908 -3.557 1.00 2.13 H new ATOM 0 HD12 LEU A 73 -2.516 2.698 -2.586 1.00 2.13 H new ATOM 0 HD13 LEU A 73 -1.764 2.227 -4.128 1.00 2.13 H new ATOM 0 HD21 LEU A 73 -2.670 4.831 -5.660 1.00 41.34 H new ATOM 0 HD22 LEU A 73 -2.846 3.211 -6.376 1.00 41.34 H new ATOM 0 HD23 LEU A 73 -4.268 4.267 -6.205 1.00 41.34 H new ATOM 1187 N ASN A 74 -7.181 2.819 -2.641 1.00 11.23 N ATOM 1188 CA ASN A 74 -8.063 3.848 -2.051 1.00 32.23 C ATOM 1189 C ASN A 74 -8.446 3.482 -0.611 1.00 4.02 C ATOM 1190 O ASN A 74 -8.777 4.371 0.174 1.00 23.02 O ATOM 1191 CB ASN A 74 -9.336 4.075 -2.905 1.00 13.14 C ATOM 1192 CG ASN A 74 -9.040 4.427 -4.356 1.00 62.31 C ATOM 1193 OD1 ASN A 74 -7.966 4.943 -4.692 1.00 62.22 O ATOM 1194 ND2 ASN A 74 -10.013 4.211 -5.215 1.00 13.12 N ATOM 0 H ASN A 74 -7.659 2.178 -3.274 1.00 11.23 H new ATOM 0 HA ASN A 74 -7.501 4.782 -2.037 1.00 32.23 H new ATOM 0 HB2 ASN A 74 -9.949 3.174 -2.876 1.00 13.14 H new ATOM 0 HB3 ASN A 74 -9.925 4.876 -2.458 1.00 13.14 H new ATOM 0 HD21 ASN A 74 -9.896 4.471 -6.194 1.00 13.12 H new ATOM 0 HD22 ASN A 74 -10.884 3.783 -4.902 1.00 13.12 H new ATOM 1201 N ALA A 75 -8.411 2.182 -0.267 1.00 3.41 N ATOM 1202 CA ALA A 75 -8.572 1.724 1.138 1.00 1.20 C ATOM 1203 C ALA A 75 -7.318 2.061 1.966 1.00 12.51 C ATOM 1204 O ALA A 75 -7.411 2.466 3.137 1.00 74.44 O ATOM 1205 CB ALA A 75 -8.872 0.225 1.174 1.00 15.40 C ATOM 0 H ALA A 75 -8.273 1.425 -0.937 1.00 3.41 H new ATOM 0 HA ALA A 75 -9.416 2.251 1.584 1.00 1.20 H new ATOM 0 HB1 ALA A 75 -8.988 -0.098 2.209 1.00 15.40 H new ATOM 0 HB2 ALA A 75 -9.793 0.025 0.626 1.00 15.40 H new ATOM 0 HB3 ALA A 75 -8.050 -0.322 0.713 1.00 15.40 H new ATOM 1211 N ILE A 76 -6.148 1.885 1.327 1.00 44.32 N ATOM 1212 CA ILE A 76 -4.846 2.310 1.870 1.00 45.34 C ATOM 1213 C ILE A 76 -4.809 3.831 1.976 1.00 30.22 C ATOM 1214 O ILE A 76 -4.243 4.346 2.920 1.00 13.12 O ATOM 1215 CB ILE A 76 -3.635 1.764 1.004 1.00 2.34 C ATOM 1216 CG1 ILE A 76 -3.618 0.199 1.034 1.00 21.11 C ATOM 1217 CG2 ILE A 76 -2.268 2.340 1.487 1.00 65.51 C ATOM 1218 CD1 ILE A 76 -2.547 -0.465 0.187 1.00 75.33 C ATOM 0 H ILE A 76 -6.079 1.440 0.412 1.00 44.32 H new ATOM 0 HA ILE A 76 -4.733 1.881 2.866 1.00 45.34 H new ATOM 0 HB ILE A 76 -3.780 2.100 -0.023 1.00 2.34 H new ATOM 0 HG12 ILE A 76 -3.491 -0.125 2.067 1.00 21.11 H new ATOM 0 HG13 ILE A 76 -4.592 -0.163 0.704 1.00 21.11 H new ATOM 0 HG21 ILE A 76 -1.465 1.941 0.867 1.00 65.51 H new ATOM 0 HG22 ILE A 76 -2.282 3.427 1.406 1.00 65.51 H new ATOM 0 HG23 ILE A 76 -2.100 2.056 2.526 1.00 65.51 H new ATOM 0 HD11 ILE A 76 -2.627 -1.548 0.282 1.00 75.33 H new ATOM 0 HD12 ILE A 76 -2.681 -0.182 -0.857 1.00 75.33 H new ATOM 0 HD13 ILE A 76 -1.563 -0.143 0.527 1.00 75.33 H new ATOM 1230 N SER A 77 -5.486 4.532 1.038 1.00 4.32 N ATOM 1231 CA SER A 77 -5.582 6.009 1.044 1.00 74.24 C ATOM 1232 C SER A 77 -6.244 6.507 2.340 1.00 20.42 C ATOM 1233 O SER A 77 -5.837 7.519 2.894 1.00 1.42 O ATOM 1234 CB SER A 77 -6.374 6.510 -0.189 1.00 51.41 C ATOM 1235 OG SER A 77 -6.359 7.931 -0.305 1.00 0.44 O ATOM 0 H SER A 77 -5.978 4.093 0.260 1.00 4.32 H new ATOM 0 HA SER A 77 -4.571 6.413 0.995 1.00 74.24 H new ATOM 0 HB2 SER A 77 -5.951 6.070 -1.092 1.00 51.41 H new ATOM 0 HB3 SER A 77 -7.406 6.165 -0.119 1.00 51.41 H new ATOM 0 HG SER A 77 -6.048 8.325 0.537 1.00 0.44 H new ATOM 1241 N ARG A 78 -7.251 5.774 2.825 1.00 11.42 N ATOM 1242 CA ARG A 78 -7.977 6.151 4.058 1.00 20.10 C ATOM 1243 C ARG A 78 -7.107 5.881 5.289 1.00 53.33 C ATOM 1244 O ARG A 78 -7.029 6.710 6.205 1.00 72.35 O ATOM 1245 CB ARG A 78 -9.316 5.380 4.163 1.00 24.53 C ATOM 1246 CG ARG A 78 -10.163 5.397 2.870 1.00 51.41 C ATOM 1247 CD ARG A 78 -10.384 6.812 2.286 1.00 55.42 C ATOM 1248 NE ARG A 78 -11.002 6.773 0.951 1.00 53.23 N ATOM 1249 CZ ARG A 78 -10.736 7.628 -0.053 1.00 61.02 C ATOM 1250 NH1 ARG A 78 -9.850 8.602 0.095 1.00 32.35 N ATOM 1251 NH2 ARG A 78 -11.357 7.481 -1.210 1.00 52.11 N ATOM 0 H ARG A 78 -7.587 4.916 2.388 1.00 11.42 H new ATOM 0 HA ARG A 78 -8.200 7.217 4.014 1.00 20.10 H new ATOM 0 HB2 ARG A 78 -9.106 4.345 4.432 1.00 24.53 H new ATOM 0 HB3 ARG A 78 -9.905 5.807 4.975 1.00 24.53 H new ATOM 0 HG2 ARG A 78 -9.674 4.776 2.119 1.00 51.41 H new ATOM 0 HG3 ARG A 78 -11.133 4.944 3.076 1.00 51.41 H new ATOM 0 HD2 ARG A 78 -11.018 7.387 2.961 1.00 55.42 H new ATOM 0 HD3 ARG A 78 -9.428 7.332 2.227 1.00 55.42 H new ATOM 0 HE ARG A 78 -11.687 6.039 0.773 1.00 53.23 H new ATOM 0 HH11 ARG A 78 -9.357 8.713 0.981 1.00 32.35 H new ATOM 0 HH12 ARG A 78 -9.661 9.241 -0.677 1.00 32.35 H new ATOM 0 HH21 ARG A 78 -12.030 6.725 -1.335 1.00 52.11 H new ATOM 0 HH22 ARG A 78 -11.163 8.123 -1.978 1.00 52.11 H new ATOM 1265 N THR A 79 -6.427 4.727 5.256 1.00 15.34 N ATOM 1266 CA THR A 79 -5.617 4.229 6.373 1.00 45.34 C ATOM 1267 C THR A 79 -4.319 5.021 6.548 1.00 11.41 C ATOM 1268 O THR A 79 -3.877 5.270 7.669 1.00 62.54 O ATOM 1269 CB THR A 79 -5.272 2.726 6.180 1.00 62.21 C ATOM 1270 OG1 THR A 79 -6.482 2.012 5.890 1.00 5.41 O ATOM 1271 CG2 THR A 79 -4.594 2.124 7.435 1.00 30.24 C ATOM 0 H THR A 79 -6.425 4.108 4.445 1.00 15.34 H new ATOM 0 HA THR A 79 -6.220 4.357 7.272 1.00 45.34 H new ATOM 0 HB THR A 79 -4.565 2.635 5.355 1.00 62.21 H new ATOM 0 HG1 THR A 79 -6.740 1.475 6.668 1.00 5.41 H new ATOM 0 HG21 THR A 79 -4.370 1.072 7.258 1.00 30.24 H new ATOM 0 HG22 THR A 79 -3.669 2.662 7.643 1.00 30.24 H new ATOM 0 HG23 THR A 79 -5.265 2.213 8.289 1.00 30.24 H new ATOM 1279 N VAL A 80 -3.724 5.431 5.441 1.00 25.34 N ATOM 1280 CA VAL A 80 -2.409 6.065 5.458 1.00 50.44 C ATOM 1281 C VAL A 80 -2.547 7.510 5.945 1.00 71.22 C ATOM 1282 O VAL A 80 -1.714 7.976 6.717 1.00 64.44 O ATOM 1283 CB VAL A 80 -1.700 5.973 4.054 1.00 42.43 C ATOM 1284 CG1 VAL A 80 -2.353 6.874 2.973 1.00 53.11 C ATOM 1285 CG2 VAL A 80 -0.198 6.253 4.177 1.00 60.34 C ATOM 0 H VAL A 80 -4.131 5.337 4.511 1.00 25.34 H new ATOM 0 HA VAL A 80 -1.765 5.528 6.154 1.00 50.44 H new ATOM 0 HB VAL A 80 -1.836 4.947 3.711 1.00 42.43 H new ATOM 0 HG11 VAL A 80 -1.815 6.761 2.032 1.00 53.11 H new ATOM 0 HG12 VAL A 80 -3.393 6.579 2.834 1.00 53.11 H new ATOM 0 HG13 VAL A 80 -2.310 7.915 3.293 1.00 53.11 H new ATOM 0 HG21 VAL A 80 0.267 6.183 3.194 1.00 60.34 H new ATOM 0 HG22 VAL A 80 -0.046 7.254 4.580 1.00 60.34 H new ATOM 0 HG23 VAL A 80 0.255 5.521 4.845 1.00 60.34 H new ATOM 1295 N GLU A 81 -3.655 8.186 5.548 1.00 14.20 N ATOM 1296 CA GLU A 81 -3.910 9.589 5.931 1.00 22.43 C ATOM 1297 C GLU A 81 -4.346 9.677 7.398 1.00 73.11 C ATOM 1298 O GLU A 81 -4.016 10.657 8.081 1.00 54.13 O ATOM 1299 CB GLU A 81 -4.981 10.259 5.024 1.00 44.34 C ATOM 1300 CG GLU A 81 -4.676 10.256 3.506 1.00 31.30 C ATOM 1301 CD GLU A 81 -3.319 10.862 3.086 1.00 44.20 C ATOM 1302 OE1 GLU A 81 -2.944 11.944 3.581 1.00 13.14 O ATOM 1303 OE2 GLU A 81 -2.629 10.264 2.224 1.00 1.54 O ATOM 0 H GLU A 81 -4.384 7.777 4.963 1.00 14.20 H new ATOM 0 HA GLU A 81 -2.973 10.130 5.797 1.00 22.43 H new ATOM 0 HB2 GLU A 81 -5.933 9.754 5.185 1.00 44.34 H new ATOM 0 HB3 GLU A 81 -5.109 11.292 5.348 1.00 44.34 H new ATOM 0 HG2 GLU A 81 -4.718 9.227 3.149 1.00 31.30 H new ATOM 0 HG3 GLU A 81 -5.469 10.802 2.995 1.00 31.30 H new ATOM 1310 N GLN A 82 -5.081 8.652 7.884 1.00 33.45 N ATOM 1311 CA GLN A 82 -5.549 8.610 9.288 1.00 24.42 C ATOM 1312 C GLN A 82 -4.359 8.431 10.237 1.00 43.22 C ATOM 1313 O GLN A 82 -4.306 9.058 11.293 1.00 71.42 O ATOM 1314 CB GLN A 82 -6.638 7.505 9.512 1.00 23.21 C ATOM 1315 CG GLN A 82 -6.118 6.059 9.622 1.00 52.42 C ATOM 1316 CD GLN A 82 -7.193 5.031 9.959 1.00 24.11 C ATOM 1317 OE1 GLN A 82 -7.799 4.432 9.068 1.00 12.34 O ATOM 1318 NE2 GLN A 82 -7.446 4.824 11.244 1.00 23.02 N ATOM 0 H GLN A 82 -5.362 7.845 7.327 1.00 33.45 H new ATOM 0 HA GLN A 82 -6.027 9.564 9.512 1.00 24.42 H new ATOM 0 HB2 GLN A 82 -7.187 7.743 10.423 1.00 23.21 H new ATOM 0 HB3 GLN A 82 -7.351 7.552 8.689 1.00 23.21 H new ATOM 0 HG2 GLN A 82 -5.649 5.781 8.678 1.00 52.42 H new ATOM 0 HG3 GLN A 82 -5.343 6.021 10.387 1.00 52.42 H new ATOM 0 HE21 GLN A 82 -6.925 5.337 11.955 1.00 23.02 H new ATOM 0 HE22 GLN A 82 -8.161 4.152 11.521 1.00 23.02 H new ATOM 1327 N LEU A 83 -3.387 7.601 9.816 1.00 23.10 N ATOM 1328 CA LEU A 83 -2.165 7.316 10.596 1.00 45.23 C ATOM 1329 C LEU A 83 -1.230 8.520 10.617 1.00 43.23 C ATOM 1330 O LEU A 83 -0.470 8.685 11.568 1.00 2.12 O ATOM 1331 CB LEU A 83 -1.442 6.073 10.034 1.00 22.14 C ATOM 1332 CG LEU A 83 -2.170 4.715 10.246 1.00 30.52 C ATOM 1333 CD1 LEU A 83 -1.463 3.586 9.482 1.00 72.14 C ATOM 1334 CD2 LEU A 83 -2.292 4.377 11.748 1.00 22.51 C ATOM 0 H LEU A 83 -3.425 7.108 8.924 1.00 23.10 H new ATOM 0 HA LEU A 83 -2.463 7.108 11.624 1.00 45.23 H new ATOM 0 HB2 LEU A 83 -1.287 6.218 8.965 1.00 22.14 H new ATOM 0 HB3 LEU A 83 -0.455 6.011 10.493 1.00 22.14 H new ATOM 0 HG LEU A 83 -3.179 4.811 9.844 1.00 30.52 H new ATOM 0 HD11 LEU A 83 -1.992 2.648 9.647 1.00 72.14 H new ATOM 0 HD12 LEU A 83 -1.457 3.816 8.417 1.00 72.14 H new ATOM 0 HD13 LEU A 83 -0.437 3.492 9.839 1.00 72.14 H new ATOM 0 HD21 LEU A 83 -2.805 3.422 11.866 1.00 22.51 H new ATOM 0 HD22 LEU A 83 -1.297 4.311 12.188 1.00 22.51 H new ATOM 0 HD23 LEU A 83 -2.860 5.159 12.252 1.00 22.51 H new ATOM 1346 N LYS A 84 -1.273 9.333 9.545 1.00 23.34 N ATOM 1347 CA LYS A 84 -0.600 10.651 9.537 1.00 20.11 C ATOM 1348 C LYS A 84 -1.206 11.535 10.626 1.00 64.05 C ATOM 1349 O LYS A 84 -0.485 12.064 11.453 1.00 43.35 O ATOM 1350 CB LYS A 84 -0.706 11.352 8.162 1.00 64.21 C ATOM 1351 CG LYS A 84 -0.039 10.579 7.026 1.00 1.12 C ATOM 1352 CD LYS A 84 -0.230 11.240 5.645 1.00 5.21 C ATOM 1353 CE LYS A 84 0.155 10.290 4.505 1.00 12.24 C ATOM 1354 NZ LYS A 84 0.010 10.919 3.158 1.00 70.41 N ATOM 0 H LYS A 84 -1.762 9.106 8.679 1.00 23.34 H new ATOM 0 HA LYS A 84 0.460 10.488 9.734 1.00 20.11 H new ATOM 0 HB2 LYS A 84 -1.758 11.500 7.920 1.00 64.21 H new ATOM 0 HB3 LYS A 84 -0.253 12.341 8.232 1.00 64.21 H new ATOM 0 HG2 LYS A 84 1.027 10.489 7.234 1.00 1.12 H new ATOM 0 HG3 LYS A 84 -0.445 9.568 6.996 1.00 1.12 H new ATOM 0 HD2 LYS A 84 -1.270 11.546 5.528 1.00 5.21 H new ATOM 0 HD3 LYS A 84 0.377 12.144 5.587 1.00 5.21 H new ATOM 0 HE2 LYS A 84 1.187 9.965 4.641 1.00 12.24 H new ATOM 0 HE3 LYS A 84 -0.469 9.398 4.554 1.00 12.24 H new ATOM 0 HZ1 LYS A 84 0.848 10.702 2.582 1.00 70.41 H new ATOM 0 HZ2 LYS A 84 -0.839 10.544 2.689 1.00 70.41 H new ATOM 0 HZ3 LYS A 84 -0.080 11.950 3.264 1.00 70.41 H new ATOM 1368 N ALA A 85 -2.543 11.640 10.632 1.00 73.11 N ATOM 1369 CA ALA A 85 -3.290 12.429 11.649 1.00 33.40 C ATOM 1370 C ALA A 85 -3.014 11.927 13.096 1.00 41.43 C ATOM 1371 O ALA A 85 -3.005 12.723 14.047 1.00 75.52 O ATOM 1372 CB ALA A 85 -4.798 12.400 11.335 1.00 44.34 C ATOM 0 H ALA A 85 -3.142 11.188 9.942 1.00 73.11 H new ATOM 0 HA ALA A 85 -2.936 13.459 11.599 1.00 33.40 H new ATOM 0 HB1 ALA A 85 -5.337 12.980 12.084 1.00 44.34 H new ATOM 0 HB2 ALA A 85 -4.973 12.830 10.349 1.00 44.34 H new ATOM 0 HB3 ALA A 85 -5.153 11.370 11.349 1.00 44.34 H new ATOM 1378 N GLU A 86 -2.795 10.604 13.243 1.00 22.23 N ATOM 1379 CA GLU A 86 -2.528 9.952 14.549 1.00 24.32 C ATOM 1380 C GLU A 86 -1.086 10.199 15.030 1.00 73.43 C ATOM 1381 O GLU A 86 -0.859 10.544 16.193 1.00 62.23 O ATOM 1382 CB GLU A 86 -2.805 8.422 14.450 1.00 1.02 C ATOM 1383 CG GLU A 86 -4.295 8.063 14.270 1.00 30.02 C ATOM 1384 CD GLU A 86 -4.530 6.573 13.947 1.00 42.45 C ATOM 1385 OE1 GLU A 86 -4.205 5.716 14.797 1.00 64.31 O ATOM 1386 OE2 GLU A 86 -5.049 6.252 12.846 1.00 65.30 O ATOM 0 H GLU A 86 -2.798 9.952 12.458 1.00 22.23 H new ATOM 0 HA GLU A 86 -3.201 10.396 15.283 1.00 24.32 H new ATOM 0 HB2 GLU A 86 -2.240 8.015 13.611 1.00 1.02 H new ATOM 0 HB3 GLU A 86 -2.432 7.937 15.352 1.00 1.02 H new ATOM 0 HG2 GLU A 86 -4.836 8.320 15.181 1.00 30.02 H new ATOM 0 HG3 GLU A 86 -4.714 8.672 13.469 1.00 30.02 H new