USER MOD reduce.3.24.130724 H: found=0, std=0, add=890, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 890 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 109 THR OG1 : rot 16:sc= 1.25 USER MOD Set 1.2: A 110 SER OG : rot 180:sc= -0.213 USER MOD Single : A 21 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.156 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 157:sc= -0.105 (180deg=-0.567) USER MOD Single : A 40 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0412) USER MOD Single : A 41 MET CE :methyl -159:sc= 0 (180deg=-0.775) USER MOD Single : A 44 LYS NZ :NH3+ 170:sc= -0.0143 (180deg=-0.187) USER MOD Single : A 46 ASN :FLIP amide:sc= 0 F(o=-1.2,f=0) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 162:sc= 1.24 (180deg=1.03) USER MOD Single : A 60 LYS NZ :NH3+ 154:sc= 1.28 (180deg=1.23) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ -162:sc= -0.0395 (180deg=-0.394) USER MOD Single : A 70 LYS NZ :NH3+ 170:sc= 3.15 (180deg=2.52) USER MOD Single : A 71 LYS NZ :NH3+ 179:sc= 1.28 (180deg=1.22) USER MOD Single : A 72 GLN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : A 73 ASN : amide:sc= 0 K(o=0,f=-0.69) USER MOD Single : A 74 SER OG : rot -26:sc= 1 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ -151:sc= 1.28 (180deg=1.17) USER MOD Single : A 85 LYS NZ :NH3+ -170:sc= -0.0157 (180deg=-0.121) USER MOD Single : A 88 SER OG : rot 180:sc= 0.0134 USER MOD Single : A 91 TYR OH : rot -120:sc= 1.3 USER MOD Single : A 93 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0777) USER MOD Single : A 94 LYS NZ :NH3+ -170:sc=-0.00715 (180deg=-0.12) USER MOD Single : A 96 GLN : amide:sc= 0.165 X(o=0.16,f=-0.033) USER MOD Single : A 97 LYS NZ :NH3+ -102:sc= -0.616 (180deg=-2.45!) USER MOD Single : A 98 TYR OH : rot 180:sc= -0.323 USER MOD Single : A 107 THR OG1 : rot 122:sc= 1.17 USER MOD Single : A 115 LYS NZ :NH3+ -151:sc= -0.779 (180deg=-1.01!) USER MOD Single : A 119 LYS NZ :NH3+ 149:sc= 1.29 (180deg=1.16) USER MOD Single : A 122 SER OG : rot -140:sc= -0.379 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 21 -7.482 -13.129 4.681 1.00 0.86 N ATOM 2 CA MET A 21 -7.458 -11.868 3.908 1.00 0.65 C ATOM 3 C MET A 21 -6.263 -11.847 2.965 1.00 0.55 C ATOM 4 O MET A 21 -5.199 -12.382 3.281 1.00 0.75 O ATOM 5 CB MET A 21 -7.386 -10.656 4.851 1.00 0.73 C ATOM 6 CG MET A 21 -6.042 -10.473 5.553 1.00 1.04 C ATOM 7 SD MET A 21 -5.601 -11.858 6.620 1.00 1.93 S ATOM 8 CE MET A 21 -4.032 -11.296 7.278 1.00 2.17 C ATOM 0 HA MET A 21 -8.378 -11.811 3.326 1.00 0.65 H new ATOM 0 HB2 MET A 21 -7.608 -9.755 4.280 1.00 0.73 H new ATOM 0 HB3 MET A 21 -8.165 -10.754 5.607 1.00 0.73 H new ATOM 0 HG2 MET A 21 -5.263 -10.339 4.802 1.00 1.04 H new ATOM 0 HG3 MET A 21 -6.072 -9.560 6.148 1.00 1.04 H new ATOM 0 HE1 MET A 21 -3.632 -12.048 7.958 1.00 2.17 H new ATOM 0 HE2 MET A 21 -3.330 -11.137 6.459 1.00 2.17 H new ATOM 0 HE3 MET A 21 -4.178 -10.360 7.818 1.00 2.17 H new ATOM 17 N THR A 22 -6.446 -11.241 1.806 1.00 0.43 N ATOM 18 CA THR A 22 -5.356 -11.027 0.877 1.00 0.41 C ATOM 19 C THR A 22 -4.740 -9.658 1.142 1.00 0.35 C ATOM 20 O THR A 22 -5.458 -8.681 1.363 1.00 0.38 O ATOM 21 CB THR A 22 -5.848 -11.124 -0.583 1.00 0.52 C ATOM 22 OG1 THR A 22 -6.430 -12.418 -0.810 1.00 0.82 O ATOM 23 CG2 THR A 22 -4.709 -10.900 -1.567 1.00 0.63 C ATOM 0 H THR A 22 -7.347 -10.887 1.486 1.00 0.43 H new ATOM 0 HA THR A 22 -4.604 -11.802 1.024 1.00 0.41 H new ATOM 0 HB THR A 22 -6.594 -10.346 -0.742 1.00 0.52 H new ATOM 0 HG1 THR A 22 -6.743 -12.478 -1.737 1.00 0.82 H new ATOM 0 HG21 THR A 22 -5.089 -10.975 -2.586 1.00 0.63 H new ATOM 0 HG22 THR A 22 -4.283 -9.909 -1.410 1.00 0.63 H new ATOM 0 HG23 THR A 22 -3.939 -11.655 -1.410 1.00 0.63 H new ATOM 31 N LEU A 23 -3.419 -9.592 1.154 1.00 0.32 N ATOM 32 CA LEU A 23 -2.735 -8.363 1.515 1.00 0.29 C ATOM 33 C LEU A 23 -2.194 -7.651 0.281 1.00 0.26 C ATOM 34 O LEU A 23 -1.373 -8.194 -0.464 1.00 0.30 O ATOM 35 CB LEU A 23 -1.613 -8.663 2.506 1.00 0.30 C ATOM 36 CG LEU A 23 -2.065 -9.310 3.819 1.00 0.36 C ATOM 37 CD1 LEU A 23 -0.871 -9.622 4.703 1.00 0.39 C ATOM 38 CD2 LEU A 23 -3.046 -8.405 4.548 1.00 0.39 C ATOM 0 H LEU A 23 -2.803 -10.370 0.919 1.00 0.32 H new ATOM 0 HA LEU A 23 -3.453 -7.695 1.990 1.00 0.29 H new ATOM 0 HB2 LEU A 23 -0.890 -9.321 2.024 1.00 0.30 H new ATOM 0 HB3 LEU A 23 -1.094 -7.733 2.737 1.00 0.30 H new ATOM 0 HG LEU A 23 -2.569 -10.247 3.583 1.00 0.36 H new ATOM 0 HD11 LEU A 23 -1.215 -10.081 5.630 1.00 0.39 H new ATOM 0 HD12 LEU A 23 -0.203 -10.310 4.184 1.00 0.39 H new ATOM 0 HD13 LEU A 23 -0.336 -8.700 4.931 1.00 0.39 H new ATOM 0 HD21 LEU A 23 -3.357 -8.880 5.478 1.00 0.39 H new ATOM 0 HD22 LEU A 23 -2.566 -7.452 4.770 1.00 0.39 H new ATOM 0 HD23 LEU A 23 -3.919 -8.234 3.919 1.00 0.39 H new ATOM 50 N PHE A 24 -2.672 -6.436 0.073 1.00 0.25 N ATOM 51 CA PHE A 24 -2.263 -5.630 -1.068 1.00 0.25 C ATOM 52 C PHE A 24 -1.388 -4.479 -0.601 1.00 0.26 C ATOM 53 O PHE A 24 -1.640 -3.883 0.448 1.00 0.30 O ATOM 54 CB PHE A 24 -3.486 -5.072 -1.803 1.00 0.28 C ATOM 55 CG PHE A 24 -4.437 -6.122 -2.304 1.00 0.34 C ATOM 56 CD1 PHE A 24 -5.408 -6.651 -1.469 1.00 1.24 C ATOM 57 CD2 PHE A 24 -4.363 -6.576 -3.610 1.00 1.25 C ATOM 58 CE1 PHE A 24 -6.287 -7.611 -1.925 1.00 1.25 C ATOM 59 CE2 PHE A 24 -5.240 -7.538 -4.073 1.00 1.30 C ATOM 60 CZ PHE A 24 -6.202 -8.057 -3.230 1.00 0.51 C ATOM 0 H PHE A 24 -3.350 -5.982 0.685 1.00 0.25 H new ATOM 0 HA PHE A 24 -1.700 -6.265 -1.752 1.00 0.25 H new ATOM 0 HB2 PHE A 24 -4.024 -4.401 -1.133 1.00 0.28 H new ATOM 0 HB3 PHE A 24 -3.146 -4.473 -2.648 1.00 0.28 H new ATOM 0 HD1 PHE A 24 -5.477 -6.307 -0.448 1.00 1.24 H new ATOM 0 HD2 PHE A 24 -3.612 -6.174 -4.274 1.00 1.25 H new ATOM 0 HE1 PHE A 24 -7.040 -8.013 -1.264 1.00 1.25 H new ATOM 0 HE2 PHE A 24 -5.173 -7.884 -5.094 1.00 1.30 H new ATOM 0 HZ PHE A 24 -6.887 -8.810 -3.590 1.00 0.51 H new ATOM 70 N VAL A 25 -0.366 -4.164 -1.373 1.00 0.29 N ATOM 71 CA VAL A 25 0.509 -3.057 -1.043 1.00 0.31 C ATOM 72 C VAL A 25 0.658 -2.119 -2.237 1.00 0.30 C ATOM 73 O VAL A 25 0.988 -2.536 -3.348 1.00 0.35 O ATOM 74 CB VAL A 25 1.890 -3.540 -0.530 1.00 0.38 C ATOM 75 CG1 VAL A 25 2.536 -4.513 -1.500 1.00 1.08 C ATOM 76 CG2 VAL A 25 2.815 -2.360 -0.261 1.00 0.98 C ATOM 0 H VAL A 25 -0.122 -4.658 -2.231 1.00 0.29 H new ATOM 0 HA VAL A 25 0.047 -2.503 -0.226 1.00 0.31 H new ATOM 0 HB VAL A 25 1.722 -4.067 0.409 1.00 0.38 H new ATOM 0 HG11 VAL A 25 3.502 -4.830 -1.108 1.00 1.08 H new ATOM 0 HG12 VAL A 25 1.892 -5.383 -1.626 1.00 1.08 H new ATOM 0 HG13 VAL A 25 2.678 -4.025 -2.464 1.00 1.08 H new ATOM 0 HG21 VAL A 25 3.777 -2.726 0.098 1.00 0.98 H new ATOM 0 HG22 VAL A 25 2.962 -1.796 -1.182 1.00 0.98 H new ATOM 0 HG23 VAL A 25 2.369 -1.713 0.494 1.00 0.98 H new ATOM 86 N LEU A 26 0.363 -0.856 -1.998 1.00 0.34 N ATOM 87 CA LEU A 26 0.428 0.174 -3.018 1.00 0.35 C ATOM 88 C LEU A 26 1.576 1.116 -2.696 1.00 0.34 C ATOM 89 O LEU A 26 1.996 1.199 -1.542 1.00 0.36 O ATOM 90 CB LEU A 26 -0.896 0.936 -3.053 1.00 0.40 C ATOM 91 CG LEU A 26 -2.142 0.048 -3.119 1.00 0.44 C ATOM 92 CD1 LEU A 26 -3.404 0.876 -2.963 1.00 1.18 C ATOM 93 CD2 LEU A 26 -2.180 -0.724 -4.424 1.00 1.09 C ATOM 0 H LEU A 26 0.069 -0.513 -1.084 1.00 0.34 H new ATOM 0 HA LEU A 26 0.599 -0.275 -3.997 1.00 0.35 H new ATOM 0 HB2 LEU A 26 -0.961 1.565 -2.165 1.00 0.40 H new ATOM 0 HB3 LEU A 26 -0.894 1.601 -3.916 1.00 0.40 H new ATOM 0 HG LEU A 26 -2.092 -0.663 -2.295 1.00 0.44 H new ATOM 0 HD11 LEU A 26 -4.276 0.224 -3.013 1.00 1.18 H new ATOM 0 HD12 LEU A 26 -3.388 1.386 -2.000 1.00 1.18 H new ATOM 0 HD13 LEU A 26 -3.456 1.614 -3.764 1.00 1.18 H new ATOM 0 HD21 LEU A 26 -3.073 -1.349 -4.451 1.00 1.09 H new ATOM 0 HD22 LEU A 26 -2.201 -0.025 -5.260 1.00 1.09 H new ATOM 0 HD23 LEU A 26 -1.294 -1.354 -4.500 1.00 1.09 H new ATOM 105 N ILE A 27 2.092 1.818 -3.691 1.00 0.34 N ATOM 106 CA ILE A 27 3.275 2.638 -3.476 1.00 0.32 C ATOM 107 C ILE A 27 3.322 3.855 -4.402 1.00 0.30 C ATOM 108 O ILE A 27 3.147 3.730 -5.615 1.00 0.36 O ATOM 109 CB ILE A 27 4.556 1.789 -3.669 1.00 0.33 C ATOM 110 CG1 ILE A 27 5.816 2.654 -3.539 1.00 0.33 C ATOM 111 CG2 ILE A 27 4.527 1.079 -5.016 1.00 0.35 C ATOM 112 CD1 ILE A 27 7.106 1.877 -3.694 1.00 0.55 C ATOM 0 H ILE A 27 1.719 1.838 -4.640 1.00 0.34 H new ATOM 0 HA ILE A 27 3.223 3.007 -2.452 1.00 0.32 H new ATOM 0 HB ILE A 27 4.585 1.036 -2.882 1.00 0.33 H new ATOM 0 HG12 ILE A 27 5.784 3.442 -4.291 1.00 0.33 H new ATOM 0 HG13 ILE A 27 5.811 3.143 -2.565 1.00 0.33 H new ATOM 0 HG21 ILE A 27 5.435 0.487 -5.135 1.00 0.35 H new ATOM 0 HG22 ILE A 27 3.657 0.423 -5.063 1.00 0.35 H new ATOM 0 HG23 ILE A 27 4.468 1.818 -5.815 1.00 0.35 H new ATOM 0 HD11 ILE A 27 7.954 2.554 -3.590 1.00 0.55 H new ATOM 0 HD12 ILE A 27 7.161 1.106 -2.925 1.00 0.55 H new ATOM 0 HD13 ILE A 27 7.133 1.410 -4.679 1.00 0.55 H new ATOM 124 N LEU A 28 3.539 5.039 -3.824 1.00 0.30 N ATOM 125 CA LEU A 28 3.885 6.208 -4.622 1.00 0.36 C ATOM 126 C LEU A 28 5.246 6.710 -4.176 1.00 0.38 C ATOM 127 O LEU A 28 5.350 7.678 -3.417 1.00 0.41 O ATOM 128 CB LEU A 28 2.878 7.355 -4.440 1.00 0.46 C ATOM 129 CG LEU A 28 1.435 7.104 -4.885 1.00 0.62 C ATOM 130 CD1 LEU A 28 0.738 6.127 -3.961 1.00 1.24 C ATOM 131 CD2 LEU A 28 0.672 8.415 -4.920 1.00 1.18 C ATOM 0 H LEU A 28 3.481 5.209 -2.820 1.00 0.30 H new ATOM 0 HA LEU A 28 3.880 5.908 -5.670 1.00 0.36 H new ATOM 0 HB2 LEU A 28 2.863 7.625 -3.384 1.00 0.46 H new ATOM 0 HB3 LEU A 28 3.253 8.221 -4.985 1.00 0.46 H new ATOM 0 HG LEU A 28 1.458 6.668 -5.884 1.00 0.62 H new ATOM 0 HD11 LEU A 28 -0.285 5.969 -4.303 1.00 1.24 H new ATOM 0 HD12 LEU A 28 1.273 5.177 -3.965 1.00 1.24 H new ATOM 0 HD13 LEU A 28 0.724 6.531 -2.949 1.00 1.24 H new ATOM 0 HD21 LEU A 28 -0.354 8.230 -5.237 1.00 1.18 H new ATOM 0 HD22 LEU A 28 0.670 8.861 -3.926 1.00 1.18 H new ATOM 0 HD23 LEU A 28 1.152 9.097 -5.622 1.00 1.18 H new ATOM 143 N SER A 29 6.281 6.047 -4.641 1.00 0.44 N ATOM 144 CA SER A 29 7.640 6.474 -4.385 1.00 0.56 C ATOM 145 C SER A 29 8.525 6.068 -5.550 1.00 0.68 C ATOM 146 O SER A 29 9.077 4.966 -5.541 1.00 1.05 O ATOM 147 CB SER A 29 8.144 5.864 -3.072 1.00 0.61 C ATOM 148 OG SER A 29 9.411 6.389 -2.709 1.00 1.27 O ATOM 0 H SER A 29 6.206 5.200 -5.205 1.00 0.44 H new ATOM 0 HA SER A 29 7.671 7.559 -4.286 1.00 0.56 H new ATOM 0 HB2 SER A 29 7.425 6.063 -2.277 1.00 0.61 H new ATOM 0 HB3 SER A 29 8.213 4.781 -3.175 1.00 0.61 H new ATOM 0 HG SER A 29 9.705 5.982 -1.867 1.00 1.27 H new ATOM 154 N ASN A 30 8.671 6.909 -6.560 1.00 0.60 N ATOM 155 CA ASN A 30 9.462 6.487 -7.700 1.00 0.67 C ATOM 156 C ASN A 30 10.939 6.755 -7.455 1.00 0.64 C ATOM 157 O ASN A 30 11.478 7.798 -7.828 1.00 0.68 O ATOM 158 CB ASN A 30 8.999 7.210 -8.969 1.00 0.79 C ATOM 159 CG ASN A 30 7.612 6.789 -9.413 1.00 1.85 C ATOM 160 OD1 ASN A 30 7.201 5.647 -9.216 1.00 2.75 O ATOM 161 ND2 ASN A 30 6.877 7.713 -10.017 1.00 2.45 N ATOM 0 H ASN A 30 8.272 7.846 -6.615 1.00 0.60 H new ATOM 0 HA ASN A 30 9.321 5.415 -7.836 1.00 0.67 H new ATOM 0 HB2 ASN A 30 9.008 8.286 -8.792 1.00 0.79 H new ATOM 0 HB3 ASN A 30 9.708 7.013 -9.773 1.00 0.79 H new ATOM 0 HD21 ASN A 30 5.935 7.487 -10.336 1.00 2.45 H new ATOM 0 HD22 ASN A 30 7.254 8.650 -10.162 1.00 2.45 H new ATOM 168 N ASP A 31 11.575 5.788 -6.816 1.00 0.63 N ATOM 169 CA ASP A 31 13.021 5.683 -6.761 1.00 0.67 C ATOM 170 C ASP A 31 13.426 4.363 -7.385 1.00 0.72 C ATOM 171 O ASP A 31 12.711 3.372 -7.238 1.00 0.81 O ATOM 172 CB ASP A 31 13.537 5.782 -5.324 1.00 0.72 C ATOM 173 CG ASP A 31 13.548 7.205 -4.802 1.00 0.92 C ATOM 174 OD1 ASP A 31 14.467 7.966 -5.172 1.00 1.45 O ATOM 175 OD2 ASP A 31 12.651 7.565 -4.011 1.00 1.57 O ATOM 0 H ASP A 31 11.093 5.043 -6.313 1.00 0.63 H new ATOM 0 HA ASP A 31 13.464 6.512 -7.314 1.00 0.67 H new ATOM 0 HB2 ASP A 31 12.914 5.166 -4.675 1.00 0.72 H new ATOM 0 HB3 ASP A 31 14.547 5.374 -5.276 1.00 0.72 H new ATOM 180 N LYS A 32 14.564 4.320 -8.050 1.00 0.78 N ATOM 181 CA LYS A 32 14.997 3.088 -8.692 1.00 0.82 C ATOM 182 C LYS A 32 15.418 2.062 -7.649 1.00 0.79 C ATOM 183 O LYS A 32 15.178 0.867 -7.810 1.00 0.81 O ATOM 184 CB LYS A 32 16.145 3.353 -9.669 1.00 0.99 C ATOM 185 CG LYS A 32 15.807 4.369 -10.751 1.00 1.10 C ATOM 186 CD LYS A 32 14.524 4.013 -11.494 1.00 1.61 C ATOM 187 CE LYS A 32 14.608 2.649 -12.163 1.00 2.22 C ATOM 188 NZ LYS A 32 13.355 2.308 -12.886 1.00 2.93 N ATOM 0 H LYS A 32 15.200 5.110 -8.161 1.00 0.78 H new ATOM 0 HA LYS A 32 14.154 2.688 -9.256 1.00 0.82 H new ATOM 0 HB2 LYS A 32 17.012 3.706 -9.110 1.00 0.99 H new ATOM 0 HB3 LYS A 32 16.432 2.414 -10.142 1.00 0.99 H new ATOM 0 HG2 LYS A 32 15.702 5.356 -10.300 1.00 1.10 H new ATOM 0 HG3 LYS A 32 16.632 4.429 -11.461 1.00 1.10 H new ATOM 0 HD2 LYS A 32 13.687 4.023 -10.796 1.00 1.61 H new ATOM 0 HD3 LYS A 32 14.319 4.774 -12.247 1.00 1.61 H new ATOM 0 HE2 LYS A 32 15.445 2.638 -12.862 1.00 2.22 H new ATOM 0 HE3 LYS A 32 14.812 1.887 -11.410 1.00 2.22 H new ATOM 0 HZ1 LYS A 32 13.453 1.372 -13.328 1.00 2.93 H new ATOM 0 HZ2 LYS A 32 12.560 2.293 -12.215 1.00 2.93 H new ATOM 0 HZ3 LYS A 32 13.174 3.020 -13.622 1.00 2.93 H new ATOM 202 N LYS A 33 16.034 2.539 -6.575 1.00 0.84 N ATOM 203 CA LYS A 33 16.457 1.672 -5.485 1.00 0.86 C ATOM 204 C LYS A 33 15.268 1.260 -4.622 1.00 0.74 C ATOM 205 O LYS A 33 15.096 0.081 -4.307 1.00 0.70 O ATOM 206 CB LYS A 33 17.504 2.380 -4.617 1.00 1.02 C ATOM 207 CG LYS A 33 17.906 1.590 -3.379 1.00 1.56 C ATOM 208 CD LYS A 33 18.687 0.334 -3.734 1.00 2.24 C ATOM 209 CE LYS A 33 20.134 0.652 -4.074 1.00 2.94 C ATOM 210 NZ LYS A 33 20.855 1.232 -2.910 1.00 3.44 N ATOM 0 H LYS A 33 16.252 3.526 -6.436 1.00 0.84 H new ATOM 0 HA LYS A 33 16.898 0.775 -5.921 1.00 0.86 H new ATOM 0 HB2 LYS A 33 18.392 2.573 -5.219 1.00 1.02 H new ATOM 0 HB3 LYS A 33 17.112 3.349 -4.308 1.00 1.02 H new ATOM 0 HG2 LYS A 33 18.510 2.221 -2.727 1.00 1.56 H new ATOM 0 HG3 LYS A 33 17.013 1.315 -2.818 1.00 1.56 H new ATOM 0 HD2 LYS A 33 18.654 -0.364 -2.898 1.00 2.24 H new ATOM 0 HD3 LYS A 33 18.214 -0.162 -4.582 1.00 2.24 H new ATOM 0 HE2 LYS A 33 20.640 -0.257 -4.400 1.00 2.94 H new ATOM 0 HE3 LYS A 33 20.167 1.352 -4.909 1.00 2.94 H new ATOM 0 HZ1 LYS A 33 21.877 1.079 -3.024 1.00 3.44 H new ATOM 0 HZ2 LYS A 33 20.661 2.252 -2.855 1.00 3.44 H new ATOM 0 HZ3 LYS A 33 20.531 0.770 -2.036 1.00 3.44 H new ATOM 224 N LEU A 34 14.453 2.243 -4.251 1.00 0.72 N ATOM 225 CA LEU A 34 13.328 2.018 -3.350 1.00 0.64 C ATOM 226 C LEU A 34 12.360 0.994 -3.932 1.00 0.58 C ATOM 227 O LEU A 34 11.965 0.056 -3.249 1.00 0.62 O ATOM 228 CB LEU A 34 12.613 3.349 -3.063 1.00 0.63 C ATOM 229 CG LEU A 34 11.638 3.365 -1.875 1.00 0.69 C ATOM 230 CD1 LEU A 34 10.243 2.955 -2.296 1.00 1.37 C ATOM 231 CD2 LEU A 34 12.125 2.459 -0.768 1.00 1.46 C ATOM 0 H LEU A 34 14.552 3.209 -4.563 1.00 0.72 H new ATOM 0 HA LEU A 34 13.708 1.616 -2.411 1.00 0.64 H new ATOM 0 HB2 LEU A 34 13.371 4.113 -2.891 1.00 0.63 H new ATOM 0 HB3 LEU A 34 12.064 3.641 -3.958 1.00 0.63 H new ATOM 0 HG LEU A 34 11.597 4.389 -1.505 1.00 0.69 H new ATOM 0 HD11 LEU A 34 9.580 2.978 -1.431 1.00 1.37 H new ATOM 0 HD12 LEU A 34 9.874 3.646 -3.054 1.00 1.37 H new ATOM 0 HD13 LEU A 34 10.269 1.946 -2.707 1.00 1.37 H new ATOM 0 HD21 LEU A 34 11.419 2.487 0.062 1.00 1.46 H new ATOM 0 HD22 LEU A 34 12.206 1.438 -1.142 1.00 1.46 H new ATOM 0 HD23 LEU A 34 13.102 2.798 -0.424 1.00 1.46 H new ATOM 243 N ILE A 35 12.001 1.168 -5.200 1.00 0.54 N ATOM 244 CA ILE A 35 11.070 0.260 -5.864 1.00 0.52 C ATOM 245 C ILE A 35 11.602 -1.175 -5.866 1.00 0.55 C ATOM 246 O ILE A 35 10.844 -2.123 -5.651 1.00 0.58 O ATOM 247 CB ILE A 35 10.770 0.725 -7.309 1.00 0.56 C ATOM 248 CG1 ILE A 35 9.912 1.996 -7.280 1.00 0.57 C ATOM 249 CG2 ILE A 35 10.078 -0.370 -8.108 1.00 0.61 C ATOM 250 CD1 ILE A 35 9.571 2.537 -8.654 1.00 0.69 C ATOM 0 H ILE A 35 12.340 1.929 -5.789 1.00 0.54 H new ATOM 0 HA ILE A 35 10.138 0.278 -5.298 1.00 0.52 H new ATOM 0 HB ILE A 35 11.716 0.946 -7.803 1.00 0.56 H new ATOM 0 HG12 ILE A 35 8.987 1.786 -6.743 1.00 0.57 H new ATOM 0 HG13 ILE A 35 10.440 2.766 -6.717 1.00 0.57 H new ATOM 0 HG21 ILE A 35 9.880 -0.013 -9.119 1.00 0.61 H new ATOM 0 HG22 ILE A 35 10.721 -1.249 -8.153 1.00 0.61 H new ATOM 0 HG23 ILE A 35 9.137 -0.633 -7.626 1.00 0.61 H new ATOM 0 HD11 ILE A 35 8.963 3.436 -8.551 1.00 0.69 H new ATOM 0 HD12 ILE A 35 10.490 2.780 -9.188 1.00 0.69 H new ATOM 0 HD13 ILE A 35 9.015 1.785 -9.213 1.00 0.69 H new ATOM 262 N GLU A 36 12.907 -1.327 -6.081 1.00 0.59 N ATOM 263 CA GLU A 36 13.528 -2.645 -6.057 1.00 0.66 C ATOM 264 C GLU A 36 13.357 -3.298 -4.690 1.00 0.62 C ATOM 265 O GLU A 36 12.671 -4.310 -4.566 1.00 0.62 O ATOM 266 CB GLU A 36 15.017 -2.559 -6.397 1.00 0.79 C ATOM 267 CG GLU A 36 15.302 -2.183 -7.840 1.00 0.76 C ATOM 268 CD GLU A 36 14.738 -3.177 -8.832 1.00 1.34 C ATOM 269 OE1 GLU A 36 13.850 -2.793 -9.623 1.00 2.15 O ATOM 270 OE2 GLU A 36 15.181 -4.342 -8.832 1.00 1.87 O ATOM 0 H GLU A 36 13.549 -0.558 -6.272 1.00 0.59 H new ATOM 0 HA GLU A 36 13.030 -3.255 -6.811 1.00 0.66 H new ATOM 0 HB2 GLU A 36 15.487 -1.825 -5.742 1.00 0.79 H new ATOM 0 HB3 GLU A 36 15.484 -3.521 -6.184 1.00 0.79 H new ATOM 0 HG2 GLU A 36 14.882 -1.198 -8.043 1.00 0.76 H new ATOM 0 HG3 GLU A 36 16.380 -2.106 -7.984 1.00 0.76 H new ATOM 277 N GLU A 37 13.958 -2.696 -3.666 1.00 0.62 N ATOM 278 CA GLU A 37 13.949 -3.276 -2.325 1.00 0.65 C ATOM 279 C GLU A 37 12.528 -3.428 -1.791 1.00 0.56 C ATOM 280 O GLU A 37 12.227 -4.387 -1.076 1.00 0.57 O ATOM 281 CB GLU A 37 14.795 -2.439 -1.359 1.00 0.73 C ATOM 282 CG GLU A 37 16.265 -2.373 -1.748 1.00 0.85 C ATOM 283 CD GLU A 37 17.150 -1.846 -0.635 1.00 1.30 C ATOM 284 OE1 GLU A 37 17.497 -0.650 -0.651 1.00 2.05 O ATOM 285 OE2 GLU A 37 17.524 -2.638 0.254 1.00 1.84 O ATOM 0 H GLU A 37 14.456 -1.809 -3.739 1.00 0.62 H new ATOM 0 HA GLU A 37 14.389 -4.270 -2.399 1.00 0.65 H new ATOM 0 HB2 GLU A 37 14.392 -1.427 -1.317 1.00 0.73 H new ATOM 0 HB3 GLU A 37 14.710 -2.858 -0.356 1.00 0.73 H new ATOM 0 HG2 GLU A 37 16.604 -3.369 -2.034 1.00 0.85 H new ATOM 0 HG3 GLU A 37 16.375 -1.735 -2.625 1.00 0.85 H new ATOM 292 N ALA A 38 11.653 -2.494 -2.151 1.00 0.51 N ATOM 293 CA ALA A 38 10.260 -2.558 -1.729 1.00 0.46 C ATOM 294 C ALA A 38 9.576 -3.795 -2.298 1.00 0.42 C ATOM 295 O ALA A 38 9.002 -4.591 -1.553 1.00 0.43 O ATOM 296 CB ALA A 38 9.507 -1.302 -2.144 1.00 0.50 C ATOM 0 H ALA A 38 11.884 -1.688 -2.731 1.00 0.51 H new ATOM 0 HA ALA A 38 10.245 -2.625 -0.641 1.00 0.46 H new ATOM 0 HB1 ALA A 38 8.470 -1.375 -1.817 1.00 0.50 H new ATOM 0 HB2 ALA A 38 9.972 -0.430 -1.684 1.00 0.50 H new ATOM 0 HB3 ALA A 38 9.539 -1.200 -3.229 1.00 0.50 H new ATOM 302 N ARG A 39 9.652 -3.973 -3.614 1.00 0.43 N ATOM 303 CA ARG A 39 8.997 -5.109 -4.245 1.00 0.45 C ATOM 304 C ARG A 39 9.679 -6.405 -3.861 1.00 0.45 C ATOM 305 O ARG A 39 9.021 -7.408 -3.691 1.00 0.49 O ATOM 306 CB ARG A 39 8.982 -5.009 -5.764 1.00 0.53 C ATOM 307 CG ARG A 39 8.102 -6.076 -6.414 1.00 0.60 C ATOM 308 CD ARG A 39 8.606 -6.443 -7.798 1.00 0.77 C ATOM 309 NE ARG A 39 8.801 -5.265 -8.641 1.00 1.46 N ATOM 310 CZ ARG A 39 9.706 -5.191 -9.613 1.00 1.90 C ATOM 311 NH1 ARG A 39 10.457 -6.247 -9.906 1.00 1.82 N ATOM 312 NH2 ARG A 39 9.851 -4.066 -10.301 1.00 2.96 N ATOM 0 H ARG A 39 10.152 -3.355 -4.253 1.00 0.43 H new ATOM 0 HA ARG A 39 7.968 -5.098 -3.886 1.00 0.45 H new ATOM 0 HB2 ARG A 39 8.625 -4.021 -6.056 1.00 0.53 H new ATOM 0 HB3 ARG A 39 10.000 -5.104 -6.141 1.00 0.53 H new ATOM 0 HG2 ARG A 39 8.082 -6.966 -5.785 1.00 0.60 H new ATOM 0 HG3 ARG A 39 7.077 -5.712 -6.483 1.00 0.60 H new ATOM 0 HD2 ARG A 39 9.548 -6.985 -7.709 1.00 0.77 H new ATOM 0 HD3 ARG A 39 7.895 -7.117 -8.276 1.00 0.77 H new ATOM 0 HE ARG A 39 8.208 -4.452 -8.474 1.00 1.46 H new ATOM 0 HH11 ARG A 39 10.340 -7.116 -9.385 1.00 1.82 H new ATOM 0 HH12 ARG A 39 11.150 -6.189 -10.652 1.00 1.82 H new ATOM 0 HH21 ARG A 39 9.268 -3.257 -10.085 1.00 2.96 H new ATOM 0 HH22 ARG A 39 10.545 -4.010 -11.046 1.00 2.96 H new ATOM 326 N LYS A 40 10.995 -6.387 -3.735 1.00 0.49 N ATOM 327 CA LYS A 40 11.731 -7.600 -3.405 1.00 0.55 C ATOM 328 C LYS A 40 11.322 -8.128 -2.034 1.00 0.49 C ATOM 329 O LYS A 40 11.236 -9.339 -1.828 1.00 0.54 O ATOM 330 CB LYS A 40 13.238 -7.350 -3.483 1.00 0.70 C ATOM 331 CG LYS A 40 13.709 -7.114 -4.909 1.00 0.85 C ATOM 332 CD LYS A 40 15.158 -6.665 -4.981 1.00 1.27 C ATOM 333 CE LYS A 40 15.553 -6.380 -6.420 1.00 1.34 C ATOM 334 NZ LYS A 40 16.933 -5.846 -6.538 1.00 1.88 N ATOM 0 H LYS A 40 11.573 -5.555 -3.854 1.00 0.49 H new ATOM 0 HA LYS A 40 11.481 -8.367 -4.138 1.00 0.55 H new ATOM 0 HB2 LYS A 40 13.493 -6.485 -2.870 1.00 0.70 H new ATOM 0 HB3 LYS A 40 13.768 -8.205 -3.064 1.00 0.70 H new ATOM 0 HG2 LYS A 40 13.589 -8.032 -5.484 1.00 0.85 H new ATOM 0 HG3 LYS A 40 13.076 -6.360 -5.376 1.00 0.85 H new ATOM 0 HD2 LYS A 40 15.299 -5.770 -4.375 1.00 1.27 H new ATOM 0 HD3 LYS A 40 15.806 -7.437 -4.565 1.00 1.27 H new ATOM 0 HE2 LYS A 40 15.471 -7.297 -7.004 1.00 1.34 H new ATOM 0 HE3 LYS A 40 14.852 -5.664 -6.850 1.00 1.34 H new ATOM 0 HZ1 LYS A 40 17.122 -5.589 -7.528 1.00 1.88 H new ATOM 0 HZ2 LYS A 40 17.032 -5.003 -5.937 1.00 1.88 H new ATOM 0 HZ3 LYS A 40 17.613 -6.571 -6.232 1.00 1.88 H new ATOM 348 N MET A 41 11.041 -7.221 -1.108 1.00 0.45 N ATOM 349 CA MET A 41 10.543 -7.612 0.204 1.00 0.46 C ATOM 350 C MET A 41 9.075 -7.998 0.134 1.00 0.41 C ATOM 351 O MET A 41 8.675 -9.022 0.674 1.00 0.46 O ATOM 352 CB MET A 41 10.730 -6.492 1.222 1.00 0.57 C ATOM 353 CG MET A 41 12.162 -6.325 1.684 1.00 0.89 C ATOM 354 SD MET A 41 12.831 -7.831 2.420 1.00 1.10 S ATOM 355 CE MET A 41 14.472 -7.284 2.876 1.00 1.68 C ATOM 0 H MET A 41 11.149 -6.215 -1.240 1.00 0.45 H new ATOM 0 HA MET A 41 11.123 -8.477 0.526 1.00 0.46 H new ATOM 0 HB2 MET A 41 10.386 -5.554 0.785 1.00 0.57 H new ATOM 0 HB3 MET A 41 10.099 -6.690 2.088 1.00 0.57 H new ATOM 0 HG2 MET A 41 12.782 -6.032 0.837 1.00 0.89 H new ATOM 0 HG3 MET A 41 12.214 -5.515 2.412 1.00 0.89 H new ATOM 0 HE1 MET A 41 15.125 -8.149 2.990 1.00 1.68 H new ATOM 0 HE2 MET A 41 14.867 -6.631 2.098 1.00 1.68 H new ATOM 0 HE3 MET A 41 14.425 -6.738 3.818 1.00 1.68 H new ATOM 365 N ALA A 42 8.274 -7.181 -0.536 1.00 0.37 N ATOM 366 CA ALA A 42 6.843 -7.449 -0.656 1.00 0.39 C ATOM 367 C ALA A 42 6.582 -8.723 -1.453 1.00 0.42 C ATOM 368 O ALA A 42 5.634 -9.453 -1.176 1.00 0.49 O ATOM 369 CB ALA A 42 6.129 -6.274 -1.294 1.00 0.43 C ATOM 0 H ALA A 42 8.587 -6.330 -1.004 1.00 0.37 H new ATOM 0 HA ALA A 42 6.449 -7.593 0.350 1.00 0.39 H new ATOM 0 HB1 ALA A 42 5.065 -6.495 -1.374 1.00 0.43 H new ATOM 0 HB2 ALA A 42 6.270 -5.385 -0.679 1.00 0.43 H new ATOM 0 HB3 ALA A 42 6.538 -6.096 -2.288 1.00 0.43 H new ATOM 375 N GLU A 43 7.427 -8.976 -2.441 1.00 0.45 N ATOM 376 CA GLU A 43 7.359 -10.194 -3.234 1.00 0.59 C ATOM 377 C GLU A 43 7.602 -11.390 -2.325 1.00 0.63 C ATOM 378 O GLU A 43 6.893 -12.397 -2.374 1.00 0.75 O ATOM 379 CB GLU A 43 8.411 -10.163 -4.346 1.00 0.71 C ATOM 380 CG GLU A 43 8.422 -11.402 -5.221 1.00 0.87 C ATOM 381 CD GLU A 43 9.493 -11.345 -6.288 1.00 1.66 C ATOM 382 OE1 GLU A 43 9.184 -10.927 -7.421 1.00 2.36 O ATOM 383 OE2 GLU A 43 10.649 -11.721 -6.000 1.00 2.41 O ATOM 0 H GLU A 43 8.179 -8.343 -2.715 1.00 0.45 H new ATOM 0 HA GLU A 43 6.373 -10.273 -3.693 1.00 0.59 H new ATOM 0 HB2 GLU A 43 8.235 -9.289 -4.974 1.00 0.71 H new ATOM 0 HB3 GLU A 43 9.396 -10.040 -3.896 1.00 0.71 H new ATOM 0 HG2 GLU A 43 8.580 -12.282 -4.598 1.00 0.87 H new ATOM 0 HG3 GLU A 43 7.447 -11.518 -5.694 1.00 0.87 H new ATOM 390 N LYS A 44 8.613 -11.240 -1.479 1.00 0.60 N ATOM 391 CA LYS A 44 8.976 -12.244 -0.493 1.00 0.70 C ATOM 392 C LYS A 44 7.862 -12.389 0.542 1.00 0.66 C ATOM 393 O LYS A 44 7.550 -13.492 0.991 1.00 0.75 O ATOM 394 CB LYS A 44 10.279 -11.824 0.195 1.00 0.81 C ATOM 395 CG LYS A 44 10.876 -12.879 1.107 1.00 1.39 C ATOM 396 CD LYS A 44 11.396 -14.065 0.316 1.00 2.35 C ATOM 397 CE LYS A 44 12.102 -15.064 1.215 1.00 3.19 C ATOM 398 NZ LYS A 44 11.211 -15.572 2.289 1.00 3.63 N ATOM 0 H LYS A 44 9.207 -10.411 -1.459 1.00 0.60 H new ATOM 0 HA LYS A 44 9.118 -13.205 -0.988 1.00 0.70 H new ATOM 0 HB2 LYS A 44 11.012 -11.565 -0.569 1.00 0.81 H new ATOM 0 HB3 LYS A 44 10.093 -10.921 0.777 1.00 0.81 H new ATOM 0 HG2 LYS A 44 11.689 -12.442 1.688 1.00 1.39 H new ATOM 0 HG3 LYS A 44 10.122 -13.216 1.818 1.00 1.39 H new ATOM 0 HD2 LYS A 44 10.567 -14.555 -0.195 1.00 2.35 H new ATOM 0 HD3 LYS A 44 12.084 -13.717 -0.454 1.00 2.35 H new ATOM 0 HE2 LYS A 44 12.461 -15.901 0.616 1.00 3.19 H new ATOM 0 HE3 LYS A 44 12.978 -14.594 1.662 1.00 3.19 H new ATOM 0 HZ1 LYS A 44 11.671 -16.370 2.773 1.00 3.63 H new ATOM 0 HZ2 LYS A 44 11.025 -14.812 2.974 1.00 3.63 H new ATOM 0 HZ3 LYS A 44 10.313 -15.891 1.873 1.00 3.63 H new ATOM 412 N ALA A 45 7.259 -11.264 0.898 1.00 0.57 N ATOM 413 CA ALA A 45 6.195 -11.225 1.891 1.00 0.59 C ATOM 414 C ALA A 45 4.852 -11.634 1.288 1.00 0.59 C ATOM 415 O ALA A 45 3.818 -11.603 1.962 1.00 0.66 O ATOM 416 CB ALA A 45 6.110 -9.835 2.502 1.00 0.56 C ATOM 0 H ALA A 45 7.494 -10.352 0.506 1.00 0.57 H new ATOM 0 HA ALA A 45 6.432 -11.944 2.675 1.00 0.59 H new ATOM 0 HB1 ALA A 45 5.312 -9.812 3.244 1.00 0.56 H new ATOM 0 HB2 ALA A 45 7.058 -9.589 2.981 1.00 0.56 H new ATOM 0 HB3 ALA A 45 5.899 -9.106 1.720 1.00 0.56 H new ATOM 422 N ASN A 46 4.893 -12.009 0.008 1.00 0.56 N ATOM 423 CA ASN A 46 3.720 -12.474 -0.732 1.00 0.60 C ATOM 424 C ASN A 46 2.619 -11.423 -0.746 1.00 0.54 C ATOM 425 O ASN A 46 1.433 -11.743 -0.676 1.00 0.63 O ATOM 426 CB ASN A 46 3.186 -13.796 -0.164 1.00 0.76 C ATOM 427 CG ASN A 46 4.176 -14.944 -0.276 1.00 1.41 C ATOM 428 OD1 ASN A 46 5.060 -14.889 -1.265 1.00 2.03 O flip ATOM 429 ND2 ASN A 46 4.144 -15.882 0.522 1.00 2.18 N flip ATOM 0 H ASN A 46 5.748 -11.998 -0.548 1.00 0.56 H new ATOM 0 HA ASN A 46 4.039 -12.648 -1.760 1.00 0.60 H new ATOM 0 HB2 ASN A 46 2.924 -13.653 0.884 1.00 0.76 H new ATOM 0 HB3 ASN A 46 2.269 -14.064 -0.688 1.00 0.76 H new ATOM 0 HD21 ASN A 46 3.451 -15.892 1.270 1.00 2.18 H new ATOM 0 HD22 ASN A 46 4.811 -16.649 0.435 1.00 2.18 H new ATOM 436 N LEU A 47 3.021 -10.170 -0.838 1.00 0.44 N ATOM 437 CA LEU A 47 2.076 -9.073 -0.923 1.00 0.42 C ATOM 438 C LEU A 47 1.890 -8.680 -2.380 1.00 0.41 C ATOM 439 O LEU A 47 2.850 -8.678 -3.152 1.00 0.58 O ATOM 440 CB LEU A 47 2.574 -7.866 -0.128 1.00 0.43 C ATOM 441 CG LEU A 47 2.957 -8.134 1.329 1.00 0.45 C ATOM 442 CD1 LEU A 47 3.419 -6.850 1.995 1.00 0.47 C ATOM 443 CD2 LEU A 47 1.791 -8.735 2.094 1.00 0.59 C ATOM 0 H LEU A 47 4.000 -9.885 -0.856 1.00 0.44 H new ATOM 0 HA LEU A 47 1.125 -9.397 -0.501 1.00 0.42 H new ATOM 0 HB2 LEU A 47 3.442 -7.451 -0.641 1.00 0.43 H new ATOM 0 HB3 LEU A 47 1.798 -7.100 -0.144 1.00 0.43 H new ATOM 0 HG LEU A 47 3.777 -8.852 1.340 1.00 0.45 H new ATOM 0 HD11 LEU A 47 3.689 -7.054 3.031 1.00 0.47 H new ATOM 0 HD12 LEU A 47 4.287 -6.457 1.465 1.00 0.47 H new ATOM 0 HD13 LEU A 47 2.614 -6.116 1.968 1.00 0.47 H new ATOM 0 HD21 LEU A 47 2.088 -8.916 3.127 1.00 0.59 H new ATOM 0 HD22 LEU A 47 0.948 -8.044 2.075 1.00 0.59 H new ATOM 0 HD23 LEU A 47 1.498 -9.677 1.630 1.00 0.59 H new ATOM 455 N ILE A 48 0.665 -8.362 -2.758 1.00 0.30 N ATOM 456 CA ILE A 48 0.389 -7.932 -4.118 1.00 0.32 C ATOM 457 C ILE A 48 0.708 -6.450 -4.265 1.00 0.32 C ATOM 458 O ILE A 48 -0.058 -5.593 -3.824 1.00 0.33 O ATOM 459 CB ILE A 48 -1.080 -8.194 -4.515 1.00 0.36 C ATOM 460 CG1 ILE A 48 -1.415 -9.682 -4.353 1.00 0.40 C ATOM 461 CG2 ILE A 48 -1.332 -7.743 -5.950 1.00 0.43 C ATOM 462 CD1 ILE A 48 -2.845 -10.027 -4.712 1.00 0.53 C ATOM 0 H ILE A 48 -0.151 -8.393 -2.147 1.00 0.30 H new ATOM 0 HA ILE A 48 1.023 -8.515 -4.787 1.00 0.32 H new ATOM 0 HB ILE A 48 -1.728 -7.618 -3.855 1.00 0.36 H new ATOM 0 HG12 ILE A 48 -0.741 -10.267 -4.979 1.00 0.40 H new ATOM 0 HG13 ILE A 48 -1.228 -9.977 -3.321 1.00 0.40 H new ATOM 0 HG21 ILE A 48 -2.372 -7.935 -6.214 1.00 0.43 H new ATOM 0 HG22 ILE A 48 -1.126 -6.676 -6.038 1.00 0.43 H new ATOM 0 HG23 ILE A 48 -0.678 -8.295 -6.625 1.00 0.43 H new ATOM 0 HD11 ILE A 48 -3.007 -11.096 -4.573 1.00 0.53 H new ATOM 0 HD12 ILE A 48 -3.526 -9.470 -4.069 1.00 0.53 H new ATOM 0 HD13 ILE A 48 -3.032 -9.764 -5.753 1.00 0.53 H new ATOM 474 N LEU A 49 1.860 -6.159 -4.855 1.00 0.34 N ATOM 475 CA LEU A 49 2.301 -4.783 -5.023 1.00 0.35 C ATOM 476 C LEU A 49 1.775 -4.195 -6.321 1.00 0.35 C ATOM 477 O LEU A 49 1.946 -4.775 -7.395 1.00 0.44 O ATOM 478 CB LEU A 49 3.832 -4.697 -5.012 1.00 0.44 C ATOM 479 CG LEU A 49 4.403 -3.285 -5.195 1.00 0.58 C ATOM 480 CD1 LEU A 49 4.136 -2.428 -3.969 1.00 0.90 C ATOM 481 CD2 LEU A 49 5.890 -3.342 -5.488 1.00 1.14 C ATOM 0 H LEU A 49 2.505 -6.858 -5.225 1.00 0.34 H new ATOM 0 HA LEU A 49 1.902 -4.209 -4.187 1.00 0.35 H new ATOM 0 HB2 LEU A 49 4.197 -5.101 -4.068 1.00 0.44 H new ATOM 0 HB3 LEU A 49 4.223 -5.336 -5.804 1.00 0.44 H new ATOM 0 HG LEU A 49 3.900 -2.827 -6.047 1.00 0.58 H new ATOM 0 HD11 LEU A 49 4.551 -1.432 -4.124 1.00 0.90 H new ATOM 0 HD12 LEU A 49 3.061 -2.352 -3.805 1.00 0.90 H new ATOM 0 HD13 LEU A 49 4.604 -2.884 -3.097 1.00 0.90 H new ATOM 0 HD21 LEU A 49 6.275 -2.330 -5.614 1.00 1.14 H new ATOM 0 HD22 LEU A 49 6.406 -3.826 -4.659 1.00 1.14 H new ATOM 0 HD23 LEU A 49 6.059 -3.911 -6.402 1.00 1.14 H new ATOM 493 N ILE A 50 1.130 -3.047 -6.216 1.00 0.33 N ATOM 494 CA ILE A 50 0.704 -2.301 -7.385 1.00 0.34 C ATOM 495 C ILE A 50 1.434 -0.962 -7.419 1.00 0.32 C ATOM 496 O ILE A 50 1.072 -0.023 -6.706 1.00 0.36 O ATOM 497 CB ILE A 50 -0.826 -2.070 -7.399 1.00 0.41 C ATOM 498 CG1 ILE A 50 -1.569 -3.405 -7.260 1.00 0.48 C ATOM 499 CG2 ILE A 50 -1.244 -1.359 -8.680 1.00 0.46 C ATOM 500 CD1 ILE A 50 -3.075 -3.262 -7.173 1.00 0.94 C ATOM 0 H ILE A 50 0.889 -2.609 -5.327 1.00 0.33 H new ATOM 0 HA ILE A 50 0.951 -2.887 -8.270 1.00 0.34 H new ATOM 0 HB ILE A 50 -1.089 -1.438 -6.551 1.00 0.41 H new ATOM 0 HG12 ILE A 50 -1.322 -4.038 -8.113 1.00 0.48 H new ATOM 0 HG13 ILE A 50 -1.210 -3.918 -6.368 1.00 0.48 H new ATOM 0 HG21 ILE A 50 -2.323 -1.204 -8.675 1.00 0.46 H new ATOM 0 HG22 ILE A 50 -0.739 -0.395 -8.742 1.00 0.46 H new ATOM 0 HG23 ILE A 50 -0.969 -1.969 -9.541 1.00 0.46 H new ATOM 0 HD11 ILE A 50 -3.529 -4.248 -7.076 1.00 0.94 H new ATOM 0 HD12 ILE A 50 -3.333 -2.657 -6.304 1.00 0.94 H new ATOM 0 HD13 ILE A 50 -3.447 -2.778 -8.076 1.00 0.94 H new ATOM 512 N THR A 51 2.483 -0.895 -8.227 1.00 0.32 N ATOM 513 CA THR A 51 3.311 0.298 -8.306 1.00 0.35 C ATOM 514 C THR A 51 2.617 1.371 -9.137 1.00 0.38 C ATOM 515 O THR A 51 2.231 1.127 -10.281 1.00 0.55 O ATOM 516 CB THR A 51 4.688 -0.023 -8.922 1.00 0.47 C ATOM 517 OG1 THR A 51 5.217 -1.221 -8.334 1.00 1.17 O ATOM 518 CG2 THR A 51 5.667 1.122 -8.697 1.00 0.89 C ATOM 0 H THR A 51 2.780 -1.656 -8.838 1.00 0.32 H new ATOM 0 HA THR A 51 3.461 0.668 -7.292 1.00 0.35 H new ATOM 0 HB THR A 51 4.555 -0.164 -9.995 1.00 0.47 H new ATOM 0 HG1 THR A 51 6.091 -1.421 -8.730 1.00 1.17 H new ATOM 0 HG21 THR A 51 6.630 0.870 -9.141 1.00 0.89 H new ATOM 0 HG22 THR A 51 5.279 2.029 -9.162 1.00 0.89 H new ATOM 0 HG23 THR A 51 5.793 1.288 -7.627 1.00 0.89 H new ATOM 526 N VAL A 52 2.449 2.548 -8.550 1.00 0.39 N ATOM 527 CA VAL A 52 1.760 3.645 -9.215 1.00 0.49 C ATOM 528 C VAL A 52 2.534 4.945 -9.064 1.00 0.58 C ATOM 529 O VAL A 52 3.642 4.961 -8.523 1.00 0.80 O ATOM 530 CB VAL A 52 0.337 3.846 -8.656 1.00 0.59 C ATOM 531 CG1 VAL A 52 -0.576 2.716 -9.090 1.00 1.38 C ATOM 532 CG2 VAL A 52 0.360 3.958 -7.140 1.00 1.04 C ATOM 0 H VAL A 52 2.782 2.768 -7.611 1.00 0.39 H new ATOM 0 HA VAL A 52 1.692 3.379 -10.270 1.00 0.49 H new ATOM 0 HB VAL A 52 -0.054 4.779 -9.061 1.00 0.59 H new ATOM 0 HG11 VAL A 52 -1.574 2.879 -8.684 1.00 1.38 H new ATOM 0 HG12 VAL A 52 -0.627 2.687 -10.178 1.00 1.38 H new ATOM 0 HG13 VAL A 52 -0.184 1.769 -8.720 1.00 1.38 H new ATOM 0 HG21 VAL A 52 -0.656 4.099 -6.770 1.00 1.04 H new ATOM 0 HG22 VAL A 52 0.778 3.046 -6.714 1.00 1.04 H new ATOM 0 HG23 VAL A 52 0.974 4.809 -6.847 1.00 1.04 H new ATOM 542 N GLY A 53 1.952 6.027 -9.558 1.00 0.66 N ATOM 543 CA GLY A 53 2.573 7.325 -9.437 1.00 0.75 C ATOM 544 C GLY A 53 1.554 8.443 -9.438 1.00 0.81 C ATOM 545 O GLY A 53 1.055 8.813 -10.498 1.00 1.24 O ATOM 0 H GLY A 53 1.055 6.027 -10.043 1.00 0.66 H new ATOM 0 HA2 GLY A 53 3.154 7.365 -8.515 1.00 0.75 H new ATOM 0 HA3 GLY A 53 3.272 7.471 -10.261 1.00 0.75 H new ATOM 549 N ASP A 54 1.238 8.927 -8.230 1.00 0.71 N ATOM 550 CA ASP A 54 0.358 10.088 -7.979 1.00 0.82 C ATOM 551 C ASP A 54 -1.030 9.642 -7.525 1.00 0.70 C ATOM 552 O ASP A 54 -1.436 8.517 -7.804 1.00 0.64 O ATOM 553 CB ASP A 54 0.261 11.042 -9.182 1.00 1.08 C ATOM 554 CG ASP A 54 -0.677 12.206 -8.941 1.00 1.34 C ATOM 555 OD1 ASP A 54 -1.855 12.122 -9.345 1.00 1.75 O ATOM 556 OD2 ASP A 54 -0.240 13.211 -8.343 1.00 1.98 O ATOM 0 H ASP A 54 1.596 8.512 -7.370 1.00 0.71 H new ATOM 0 HA ASP A 54 0.823 10.653 -7.171 1.00 0.82 H new ATOM 0 HB2 ASP A 54 1.254 11.425 -9.415 1.00 1.08 H new ATOM 0 HB3 ASP A 54 -0.078 10.484 -10.055 1.00 1.08 H new ATOM 561 N GLU A 55 -1.734 10.513 -6.799 1.00 0.80 N ATOM 562 CA GLU A 55 -3.006 10.160 -6.167 1.00 0.79 C ATOM 563 C GLU A 55 -3.987 9.544 -7.155 1.00 0.69 C ATOM 564 O GLU A 55 -4.583 8.504 -6.877 1.00 0.71 O ATOM 565 CB GLU A 55 -3.636 11.395 -5.527 1.00 0.95 C ATOM 566 CG GLU A 55 -2.787 12.010 -4.428 1.00 0.90 C ATOM 567 CD GLU A 55 -3.433 13.238 -3.826 1.00 1.53 C ATOM 568 OE1 GLU A 55 -3.174 14.352 -4.322 1.00 2.16 O ATOM 569 OE2 GLU A 55 -4.209 13.097 -2.858 1.00 2.21 O ATOM 0 H GLU A 55 -1.441 11.476 -6.634 1.00 0.80 H new ATOM 0 HA GLU A 55 -2.789 9.414 -5.402 1.00 0.79 H new ATOM 0 HB2 GLU A 55 -3.814 12.143 -6.299 1.00 0.95 H new ATOM 0 HB3 GLU A 55 -4.608 11.125 -5.115 1.00 0.95 H new ATOM 0 HG2 GLU A 55 -2.617 11.270 -3.646 1.00 0.90 H new ATOM 0 HG3 GLU A 55 -1.810 12.276 -4.832 1.00 0.90 H new ATOM 576 N GLU A 56 -4.135 10.175 -8.313 1.00 0.70 N ATOM 577 CA GLU A 56 -5.068 9.700 -9.326 1.00 0.70 C ATOM 578 C GLU A 56 -4.696 8.292 -9.781 1.00 0.66 C ATOM 579 O GLU A 56 -5.568 7.465 -10.062 1.00 0.67 O ATOM 580 CB GLU A 56 -5.086 10.654 -10.516 1.00 0.82 C ATOM 581 CG GLU A 56 -5.503 12.068 -10.147 1.00 0.93 C ATOM 582 CD GLU A 56 -6.923 12.140 -9.623 1.00 1.33 C ATOM 583 OE1 GLU A 56 -7.113 12.059 -8.393 1.00 2.04 O ATOM 584 OE2 GLU A 56 -7.857 12.281 -10.440 1.00 1.89 O ATOM 0 H GLU A 56 -3.621 11.017 -8.574 1.00 0.70 H new ATOM 0 HA GLU A 56 -6.066 9.667 -8.888 1.00 0.70 H new ATOM 0 HB2 GLU A 56 -4.094 10.681 -10.966 1.00 0.82 H new ATOM 0 HB3 GLU A 56 -5.769 10.267 -11.273 1.00 0.82 H new ATOM 0 HG2 GLU A 56 -4.821 12.458 -9.392 1.00 0.93 H new ATOM 0 HG3 GLU A 56 -5.410 12.710 -11.023 1.00 0.93 H new ATOM 591 N GLU A 57 -3.396 8.026 -9.824 1.00 0.65 N ATOM 592 CA GLU A 57 -2.891 6.710 -10.183 1.00 0.65 C ATOM 593 C GLU A 57 -3.052 5.732 -9.027 1.00 0.55 C ATOM 594 O GLU A 57 -3.179 4.529 -9.232 1.00 0.52 O ATOM 595 CB GLU A 57 -1.427 6.795 -10.608 1.00 0.73 C ATOM 596 CG GLU A 57 -1.225 6.950 -12.108 1.00 1.11 C ATOM 597 CD GLU A 57 -2.070 8.049 -12.715 1.00 1.52 C ATOM 598 OE1 GLU A 57 -1.673 9.230 -12.633 1.00 2.13 O ATOM 599 OE2 GLU A 57 -3.129 7.732 -13.299 1.00 2.16 O ATOM 0 H GLU A 57 -2.670 8.710 -9.613 1.00 0.65 H new ATOM 0 HA GLU A 57 -3.477 6.342 -11.025 1.00 0.65 H new ATOM 0 HB2 GLU A 57 -0.961 7.639 -10.100 1.00 0.73 H new ATOM 0 HB3 GLU A 57 -0.910 5.896 -10.273 1.00 0.73 H new ATOM 0 HG2 GLU A 57 -0.174 7.158 -12.307 1.00 1.11 H new ATOM 0 HG3 GLU A 57 -1.462 6.006 -12.599 1.00 1.11 H new ATOM 606 N LEU A 58 -3.055 6.252 -7.811 1.00 0.52 N ATOM 607 CA LEU A 58 -3.254 5.416 -6.642 1.00 0.48 C ATOM 608 C LEU A 58 -4.712 5.003 -6.523 1.00 0.46 C ATOM 609 O LEU A 58 -5.010 3.884 -6.129 1.00 0.44 O ATOM 610 CB LEU A 58 -2.819 6.132 -5.362 1.00 0.52 C ATOM 611 CG LEU A 58 -3.021 5.317 -4.079 1.00 0.55 C ATOM 612 CD1 LEU A 58 -2.193 4.043 -4.114 1.00 0.83 C ATOM 613 CD2 LEU A 58 -2.683 6.139 -2.846 1.00 0.74 C ATOM 0 H LEU A 58 -2.923 7.243 -7.609 1.00 0.52 H new ATOM 0 HA LEU A 58 -2.635 4.527 -6.768 1.00 0.48 H new ATOM 0 HB2 LEU A 58 -1.765 6.395 -5.448 1.00 0.52 H new ATOM 0 HB3 LEU A 58 -3.375 7.066 -5.276 1.00 0.52 H new ATOM 0 HG LEU A 58 -4.074 5.043 -4.022 1.00 0.55 H new ATOM 0 HD11 LEU A 58 -2.352 3.481 -3.194 1.00 0.83 H new ATOM 0 HD12 LEU A 58 -2.495 3.436 -4.967 1.00 0.83 H new ATOM 0 HD13 LEU A 58 -1.137 4.298 -4.206 1.00 0.83 H new ATOM 0 HD21 LEU A 58 -2.836 5.534 -1.952 1.00 0.74 H new ATOM 0 HD22 LEU A 58 -1.642 6.457 -2.895 1.00 0.74 H new ATOM 0 HD23 LEU A 58 -3.329 7.016 -2.805 1.00 0.74 H new ATOM 625 N LYS A 59 -5.615 5.906 -6.878 1.00 0.52 N ATOM 626 CA LYS A 59 -7.042 5.657 -6.728 1.00 0.57 C ATOM 627 C LYS A 59 -7.485 4.419 -7.483 1.00 0.51 C ATOM 628 O LYS A 59 -8.073 3.503 -6.907 1.00 0.58 O ATOM 629 CB LYS A 59 -7.846 6.879 -7.168 1.00 0.69 C ATOM 630 CG LYS A 59 -7.676 8.072 -6.245 1.00 0.76 C ATOM 631 CD LYS A 59 -8.376 9.302 -6.788 1.00 0.97 C ATOM 632 CE LYS A 59 -8.238 10.480 -5.839 1.00 1.64 C ATOM 633 NZ LYS A 59 -8.832 11.716 -6.405 1.00 2.26 N ATOM 0 H LYS A 59 -5.385 6.818 -7.272 1.00 0.52 H new ATOM 0 HA LYS A 59 -7.234 5.473 -5.671 1.00 0.57 H new ATOM 0 HB2 LYS A 59 -7.542 7.162 -8.176 1.00 0.69 H new ATOM 0 HB3 LYS A 59 -8.902 6.613 -7.216 1.00 0.69 H new ATOM 0 HG2 LYS A 59 -8.075 7.830 -5.260 1.00 0.76 H new ATOM 0 HG3 LYS A 59 -6.615 8.284 -6.115 1.00 0.76 H new ATOM 0 HD2 LYS A 59 -7.955 9.563 -7.759 1.00 0.97 H new ATOM 0 HD3 LYS A 59 -9.432 9.082 -6.947 1.00 0.97 H new ATOM 0 HE2 LYS A 59 -8.724 10.243 -4.893 1.00 1.64 H new ATOM 0 HE3 LYS A 59 -7.184 10.650 -5.622 1.00 1.64 H new ATOM 0 HZ1 LYS A 59 -8.997 12.403 -5.642 1.00 2.26 H new ATOM 0 HZ2 LYS A 59 -8.180 12.125 -7.105 1.00 2.26 H new ATOM 0 HZ3 LYS A 59 -9.736 11.487 -6.866 1.00 2.26 H new ATOM 647 N LYS A 60 -7.197 4.405 -8.763 1.00 0.49 N ATOM 648 CA LYS A 60 -7.448 3.245 -9.605 1.00 0.48 C ATOM 649 C LYS A 60 -6.768 1.985 -9.052 1.00 0.41 C ATOM 650 O LYS A 60 -7.265 0.874 -9.233 1.00 0.41 O ATOM 651 CB LYS A 60 -6.944 3.548 -11.009 1.00 0.58 C ATOM 652 CG LYS A 60 -5.529 4.086 -11.002 1.00 0.72 C ATOM 653 CD LYS A 60 -5.130 4.674 -12.353 1.00 1.19 C ATOM 654 CE LYS A 60 -5.982 5.878 -12.726 1.00 1.91 C ATOM 655 NZ LYS A 60 -5.496 6.542 -13.965 1.00 2.35 N ATOM 0 H LYS A 60 -6.782 5.195 -9.256 1.00 0.49 H new ATOM 0 HA LYS A 60 -8.520 3.047 -9.624 1.00 0.48 H new ATOM 0 HB2 LYS A 60 -6.983 2.641 -11.612 1.00 0.58 H new ATOM 0 HB3 LYS A 60 -7.605 4.274 -11.482 1.00 0.58 H new ATOM 0 HG2 LYS A 60 -5.437 4.852 -10.232 1.00 0.72 H new ATOM 0 HG3 LYS A 60 -4.839 3.285 -10.738 1.00 0.72 H new ATOM 0 HD2 LYS A 60 -4.081 4.968 -12.325 1.00 1.19 H new ATOM 0 HD3 LYS A 60 -5.226 3.909 -13.124 1.00 1.19 H new ATOM 0 HE2 LYS A 60 -7.016 5.561 -12.866 1.00 1.91 H new ATOM 0 HE3 LYS A 60 -5.977 6.595 -11.905 1.00 1.91 H new ATOM 0 HZ1 LYS A 60 -6.286 7.037 -14.426 1.00 2.35 H new ATOM 0 HZ2 LYS A 60 -4.752 7.227 -13.723 1.00 2.35 H new ATOM 0 HZ3 LYS A 60 -5.110 5.827 -14.613 1.00 2.35 H new ATOM 669 N ALA A 61 -5.635 2.160 -8.375 1.00 0.40 N ATOM 670 CA ALA A 61 -4.911 1.038 -7.787 1.00 0.39 C ATOM 671 C ALA A 61 -5.617 0.524 -6.539 1.00 0.32 C ATOM 672 O ALA A 61 -5.786 -0.683 -6.372 1.00 0.34 O ATOM 673 CB ALA A 61 -3.480 1.432 -7.465 1.00 0.47 C ATOM 0 H ALA A 61 -5.199 3.069 -8.221 1.00 0.40 H new ATOM 0 HA ALA A 61 -4.891 0.232 -8.520 1.00 0.39 H new ATOM 0 HB1 ALA A 61 -2.958 0.581 -7.027 1.00 0.47 H new ATOM 0 HB2 ALA A 61 -2.972 1.738 -8.380 1.00 0.47 H new ATOM 0 HB3 ALA A 61 -3.481 2.260 -6.756 1.00 0.47 H new ATOM 679 N ILE A 62 -6.030 1.440 -5.666 1.00 0.31 N ATOM 680 CA ILE A 62 -6.783 1.068 -4.470 1.00 0.37 C ATOM 681 C ILE A 62 -8.082 0.384 -4.883 1.00 0.36 C ATOM 682 O ILE A 62 -8.497 -0.617 -4.294 1.00 0.38 O ATOM 683 CB ILE A 62 -7.131 2.285 -3.579 1.00 0.49 C ATOM 684 CG1 ILE A 62 -5.919 3.191 -3.365 1.00 0.45 C ATOM 685 CG2 ILE A 62 -7.649 1.806 -2.233 1.00 0.83 C ATOM 686 CD1 ILE A 62 -6.236 4.452 -2.588 1.00 0.53 C ATOM 0 H ILE A 62 -5.857 2.441 -5.763 1.00 0.31 H new ATOM 0 HA ILE A 62 -6.148 0.398 -3.889 1.00 0.37 H new ATOM 0 HB ILE A 62 -7.901 2.863 -4.091 1.00 0.49 H new ATOM 0 HG12 ILE A 62 -5.147 2.632 -2.836 1.00 0.45 H new ATOM 0 HG13 ILE A 62 -5.505 3.466 -4.335 1.00 0.45 H new ATOM 0 HG21 ILE A 62 -7.892 2.666 -1.610 1.00 0.83 H new ATOM 0 HG22 ILE A 62 -8.543 1.201 -2.382 1.00 0.83 H new ATOM 0 HG23 ILE A 62 -6.883 1.207 -1.741 1.00 0.83 H new ATOM 0 HD11 ILE A 62 -5.330 5.047 -2.474 1.00 0.53 H new ATOM 0 HD12 ILE A 62 -6.985 5.032 -3.126 1.00 0.53 H new ATOM 0 HD13 ILE A 62 -6.621 4.186 -1.604 1.00 0.53 H new ATOM 698 N LYS A 63 -8.705 0.934 -5.920 1.00 0.37 N ATOM 699 CA LYS A 63 -9.924 0.375 -6.481 1.00 0.40 C ATOM 700 C LYS A 63 -9.674 -1.044 -6.983 1.00 0.35 C ATOM 701 O LYS A 63 -10.487 -1.939 -6.765 1.00 0.40 O ATOM 702 CB LYS A 63 -10.426 1.268 -7.620 1.00 0.49 C ATOM 703 CG LYS A 63 -11.733 0.808 -8.246 1.00 0.59 C ATOM 704 CD LYS A 63 -12.246 1.812 -9.271 1.00 1.21 C ATOM 705 CE LYS A 63 -11.299 1.943 -10.455 1.00 1.94 C ATOM 706 NZ LYS A 63 -11.746 2.985 -11.418 1.00 2.76 N ATOM 0 H LYS A 63 -8.378 1.777 -6.392 1.00 0.37 H new ATOM 0 HA LYS A 63 -10.687 0.333 -5.704 1.00 0.40 H new ATOM 0 HB2 LYS A 63 -10.555 2.282 -7.241 1.00 0.49 H new ATOM 0 HB3 LYS A 63 -9.661 1.312 -8.395 1.00 0.49 H new ATOM 0 HG2 LYS A 63 -11.587 -0.160 -8.725 1.00 0.59 H new ATOM 0 HG3 LYS A 63 -12.482 0.668 -7.466 1.00 0.59 H new ATOM 0 HD2 LYS A 63 -13.229 1.501 -9.624 1.00 1.21 H new ATOM 0 HD3 LYS A 63 -12.371 2.785 -8.796 1.00 1.21 H new ATOM 0 HE2 LYS A 63 -10.300 2.188 -10.094 1.00 1.94 H new ATOM 0 HE3 LYS A 63 -11.226 0.984 -10.968 1.00 1.94 H new ATOM 0 HZ1 LYS A 63 -11.072 3.040 -12.208 1.00 2.76 H new ATOM 0 HZ2 LYS A 63 -12.688 2.739 -11.783 1.00 2.76 H new ATOM 0 HZ3 LYS A 63 -11.791 3.906 -10.937 1.00 2.76 H new ATOM 720 N LYS A 64 -8.533 -1.243 -7.639 1.00 0.34 N ATOM 721 CA LYS A 64 -8.155 -2.557 -8.150 1.00 0.39 C ATOM 722 C LYS A 64 -7.822 -3.516 -7.009 1.00 0.35 C ATOM 723 O LYS A 64 -8.134 -4.704 -7.079 1.00 0.40 O ATOM 724 CB LYS A 64 -6.964 -2.439 -9.108 1.00 0.51 C ATOM 725 CG LYS A 64 -6.424 -3.784 -9.576 1.00 1.05 C ATOM 726 CD LYS A 64 -5.342 -3.626 -10.632 1.00 1.04 C ATOM 727 CE LYS A 64 -5.914 -3.149 -11.959 1.00 1.59 C ATOM 728 NZ LYS A 64 -6.864 -4.133 -12.542 1.00 2.11 N ATOM 0 H LYS A 64 -7.852 -0.508 -7.829 1.00 0.34 H new ATOM 0 HA LYS A 64 -9.007 -2.961 -8.697 1.00 0.39 H new ATOM 0 HB2 LYS A 64 -7.264 -1.855 -9.978 1.00 0.51 H new ATOM 0 HB3 LYS A 64 -6.164 -1.887 -8.614 1.00 0.51 H new ATOM 0 HG2 LYS A 64 -6.021 -4.330 -8.723 1.00 1.05 H new ATOM 0 HG3 LYS A 64 -7.241 -4.382 -9.980 1.00 1.05 H new ATOM 0 HD2 LYS A 64 -4.593 -2.915 -10.282 1.00 1.04 H new ATOM 0 HD3 LYS A 64 -4.833 -4.579 -10.777 1.00 1.04 H new ATOM 0 HE2 LYS A 64 -6.423 -2.196 -11.813 1.00 1.59 H new ATOM 0 HE3 LYS A 64 -5.100 -2.971 -12.662 1.00 1.59 H new ATOM 0 HZ1 LYS A 64 -6.994 -3.932 -13.554 1.00 2.11 H new ATOM 0 HZ2 LYS A 64 -6.483 -5.094 -12.426 1.00 2.11 H new ATOM 0 HZ3 LYS A 64 -7.780 -4.062 -12.054 1.00 2.11 H new ATOM 742 N ALA A 65 -7.189 -3.000 -5.964 1.00 0.30 N ATOM 743 CA ALA A 65 -6.858 -3.804 -4.796 1.00 0.30 C ATOM 744 C ALA A 65 -8.123 -4.391 -4.179 1.00 0.33 C ATOM 745 O ALA A 65 -8.215 -5.596 -3.951 1.00 0.38 O ATOM 746 CB ALA A 65 -6.098 -2.969 -3.776 1.00 0.31 C ATOM 0 H ALA A 65 -6.894 -2.026 -5.902 1.00 0.30 H new ATOM 0 HA ALA A 65 -6.217 -4.628 -5.110 1.00 0.30 H new ATOM 0 HB1 ALA A 65 -5.858 -3.584 -2.909 1.00 0.31 H new ATOM 0 HB2 ALA A 65 -5.176 -2.598 -4.224 1.00 0.31 H new ATOM 0 HB3 ALA A 65 -6.715 -2.126 -3.464 1.00 0.31 H new ATOM 752 N ASP A 66 -9.105 -3.531 -3.936 1.00 0.35 N ATOM 753 CA ASP A 66 -10.400 -3.965 -3.417 1.00 0.41 C ATOM 754 C ASP A 66 -11.134 -4.821 -4.447 1.00 0.40 C ATOM 755 O ASP A 66 -11.864 -5.751 -4.099 1.00 0.47 O ATOM 756 CB ASP A 66 -11.247 -2.748 -3.033 1.00 0.48 C ATOM 757 CG ASP A 66 -12.695 -3.100 -2.751 1.00 0.55 C ATOM 758 OD1 ASP A 66 -13.559 -2.777 -3.594 1.00 1.11 O ATOM 759 OD2 ASP A 66 -12.978 -3.692 -1.693 1.00 1.36 O ATOM 0 H ASP A 66 -9.030 -2.525 -4.090 1.00 0.35 H new ATOM 0 HA ASP A 66 -10.232 -4.572 -2.527 1.00 0.41 H new ATOM 0 HB2 ASP A 66 -10.815 -2.275 -2.151 1.00 0.48 H new ATOM 0 HB3 ASP A 66 -11.207 -2.015 -3.839 1.00 0.48 H new ATOM 764 N ASP A 67 -10.912 -4.507 -5.718 1.00 0.36 N ATOM 765 CA ASP A 67 -11.519 -5.242 -6.824 1.00 0.38 C ATOM 766 C ASP A 67 -11.099 -6.706 -6.792 1.00 0.40 C ATOM 767 O ASP A 67 -11.942 -7.601 -6.839 1.00 0.48 O ATOM 768 CB ASP A 67 -11.106 -4.617 -8.158 1.00 0.42 C ATOM 769 CG ASP A 67 -11.762 -5.277 -9.351 1.00 0.95 C ATOM 770 OD1 ASP A 67 -12.800 -4.769 -9.813 1.00 1.66 O ATOM 771 OD2 ASP A 67 -11.231 -6.292 -9.849 1.00 1.68 O ATOM 0 H ASP A 67 -10.309 -3.739 -6.011 1.00 0.36 H new ATOM 0 HA ASP A 67 -12.602 -5.187 -6.719 1.00 0.38 H new ATOM 0 HB2 ASP A 67 -11.361 -3.557 -8.151 1.00 0.42 H new ATOM 0 HB3 ASP A 67 -10.023 -4.683 -8.264 1.00 0.42 H new ATOM 776 N ILE A 68 -9.795 -6.936 -6.704 1.00 0.37 N ATOM 777 CA ILE A 68 -9.254 -8.289 -6.637 1.00 0.41 C ATOM 778 C ILE A 68 -9.631 -8.943 -5.312 1.00 0.41 C ATOM 779 O ILE A 68 -9.902 -10.145 -5.247 1.00 0.47 O ATOM 780 CB ILE A 68 -7.715 -8.293 -6.783 1.00 0.43 C ATOM 781 CG1 ILE A 68 -7.299 -7.609 -8.089 1.00 0.46 C ATOM 782 CG2 ILE A 68 -7.176 -9.720 -6.734 1.00 0.48 C ATOM 783 CD1 ILE A 68 -5.800 -7.457 -8.248 1.00 0.51 C ATOM 0 H ILE A 68 -9.089 -6.200 -6.677 1.00 0.37 H new ATOM 0 HA ILE A 68 -9.683 -8.853 -7.465 1.00 0.41 H new ATOM 0 HB ILE A 68 -7.289 -7.735 -5.949 1.00 0.43 H new ATOM 0 HG12 ILE A 68 -7.688 -8.184 -8.929 1.00 0.46 H new ATOM 0 HG13 ILE A 68 -7.762 -6.623 -8.136 1.00 0.46 H new ATOM 0 HG21 ILE A 68 -6.091 -9.703 -6.838 1.00 0.48 H new ATOM 0 HG22 ILE A 68 -7.442 -10.177 -5.781 1.00 0.48 H new ATOM 0 HG23 ILE A 68 -7.610 -10.301 -7.548 1.00 0.48 H new ATOM 0 HD11 ILE A 68 -5.583 -6.965 -9.196 1.00 0.51 H new ATOM 0 HD12 ILE A 68 -5.406 -6.856 -7.428 1.00 0.51 H new ATOM 0 HD13 ILE A 68 -5.331 -8.441 -8.234 1.00 0.51 H new ATOM 795 N ALA A 69 -9.655 -8.136 -4.259 1.00 0.39 N ATOM 796 CA ALA A 69 -9.990 -8.618 -2.930 1.00 0.43 C ATOM 797 C ALA A 69 -11.393 -9.211 -2.898 1.00 0.47 C ATOM 798 O ALA A 69 -11.573 -10.398 -2.629 1.00 0.53 O ATOM 799 CB ALA A 69 -9.870 -7.494 -1.913 1.00 0.46 C ATOM 0 H ALA A 69 -9.445 -7.139 -4.303 1.00 0.39 H new ATOM 0 HA ALA A 69 -9.283 -9.406 -2.670 1.00 0.43 H new ATOM 0 HB1 ALA A 69 -10.124 -7.871 -0.922 1.00 0.46 H new ATOM 0 HB2 ALA A 69 -8.847 -7.117 -1.906 1.00 0.46 H new ATOM 0 HB3 ALA A 69 -10.552 -6.687 -2.180 1.00 0.46 H new ATOM 805 N LYS A 70 -12.384 -8.393 -3.200 1.00 0.52 N ATOM 806 CA LYS A 70 -13.768 -8.832 -3.149 1.00 0.65 C ATOM 807 C LYS A 70 -14.118 -9.761 -4.287 1.00 0.63 C ATOM 808 O LYS A 70 -15.175 -10.386 -4.271 1.00 0.72 O ATOM 809 CB LYS A 70 -14.715 -7.658 -3.210 1.00 0.87 C ATOM 810 CG LYS A 70 -14.868 -6.914 -1.897 1.00 1.09 C ATOM 811 CD LYS A 70 -15.688 -5.649 -2.063 1.00 1.14 C ATOM 812 CE LYS A 70 -15.945 -4.977 -0.726 1.00 1.14 C ATOM 813 NZ LYS A 70 -14.686 -4.708 0.016 1.00 1.50 N ATOM 0 H LYS A 70 -12.258 -7.421 -3.483 1.00 0.52 H new ATOM 0 HA LYS A 70 -13.875 -9.362 -2.203 1.00 0.65 H new ATOM 0 HB2 LYS A 70 -14.363 -6.961 -3.971 1.00 0.87 H new ATOM 0 HB3 LYS A 70 -15.695 -8.012 -3.530 1.00 0.87 H new ATOM 0 HG2 LYS A 70 -15.345 -7.564 -1.164 1.00 1.09 H new ATOM 0 HG3 LYS A 70 -13.883 -6.661 -1.505 1.00 1.09 H new ATOM 0 HD2 LYS A 70 -15.165 -4.959 -2.725 1.00 1.14 H new ATOM 0 HD3 LYS A 70 -16.638 -5.889 -2.540 1.00 1.14 H new ATOM 0 HE2 LYS A 70 -16.477 -4.040 -0.888 1.00 1.14 H new ATOM 0 HE3 LYS A 70 -16.593 -5.611 -0.121 1.00 1.14 H new ATOM 0 HZ1 LYS A 70 -14.889 -4.102 0.837 1.00 1.50 H new ATOM 0 HZ2 LYS A 70 -14.276 -5.607 0.342 1.00 1.50 H new ATOM 0 HZ3 LYS A 70 -14.010 -4.226 -0.611 1.00 1.50 H new ATOM 827 N LYS A 71 -13.243 -9.834 -5.275 1.00 0.62 N ATOM 828 CA LYS A 71 -13.500 -10.638 -6.452 1.00 0.76 C ATOM 829 C LYS A 71 -13.888 -12.053 -6.054 1.00 0.83 C ATOM 830 O LYS A 71 -14.846 -12.612 -6.584 1.00 1.03 O ATOM 831 CB LYS A 71 -12.268 -10.660 -7.362 1.00 0.84 C ATOM 832 CG LYS A 71 -12.516 -11.263 -8.740 1.00 1.26 C ATOM 833 CD LYS A 71 -13.597 -10.512 -9.512 1.00 1.71 C ATOM 834 CE LYS A 71 -13.285 -9.026 -9.645 1.00 2.27 C ATOM 835 NZ LYS A 71 -12.000 -8.779 -10.349 1.00 2.71 N ATOM 0 H LYS A 71 -12.348 -9.345 -5.283 1.00 0.62 H new ATOM 0 HA LYS A 71 -14.330 -10.193 -7.001 1.00 0.76 H new ATOM 0 HB2 LYS A 71 -11.903 -9.640 -7.485 1.00 0.84 H new ATOM 0 HB3 LYS A 71 -11.477 -11.224 -6.869 1.00 0.84 H new ATOM 0 HG2 LYS A 71 -11.588 -11.251 -9.312 1.00 1.26 H new ATOM 0 HG3 LYS A 71 -12.809 -12.307 -8.630 1.00 1.26 H new ATOM 0 HD2 LYS A 71 -13.702 -10.949 -10.505 1.00 1.71 H new ATOM 0 HD3 LYS A 71 -14.555 -10.636 -9.006 1.00 1.71 H new ATOM 0 HE2 LYS A 71 -14.093 -8.535 -10.186 1.00 2.27 H new ATOM 0 HE3 LYS A 71 -13.246 -8.575 -8.653 1.00 2.27 H new ATOM 0 HZ1 LYS A 71 -11.840 -7.755 -10.430 1.00 2.71 H new ATOM 0 HZ2 LYS A 71 -11.221 -9.210 -9.811 1.00 2.71 H new ATOM 0 HZ3 LYS A 71 -12.038 -9.199 -11.299 1.00 2.71 H new ATOM 849 N GLN A 72 -13.146 -12.639 -5.124 1.00 0.79 N ATOM 850 CA GLN A 72 -13.445 -14.012 -4.736 1.00 1.04 C ATOM 851 C GLN A 72 -13.567 -14.237 -3.219 1.00 1.06 C ATOM 852 O GLN A 72 -14.635 -14.602 -2.729 1.00 1.22 O ATOM 853 CB GLN A 72 -12.395 -14.960 -5.334 1.00 1.24 C ATOM 854 CG GLN A 72 -10.958 -14.512 -5.113 1.00 1.20 C ATOM 855 CD GLN A 72 -9.939 -15.474 -5.690 1.00 1.56 C ATOM 856 OE1 GLN A 72 -10.182 -16.676 -5.789 1.00 2.22 O ATOM 857 NE2 GLN A 72 -8.786 -14.952 -6.066 1.00 1.60 N ATOM 0 H GLN A 72 -12.360 -12.205 -4.639 1.00 0.79 H new ATOM 0 HA GLN A 72 -14.434 -14.230 -5.140 1.00 1.04 H new ATOM 0 HB2 GLN A 72 -12.526 -15.951 -4.900 1.00 1.24 H new ATOM 0 HB3 GLN A 72 -12.574 -15.055 -6.405 1.00 1.24 H new ATOM 0 HG2 GLN A 72 -10.817 -13.530 -5.564 1.00 1.20 H new ATOM 0 HG3 GLN A 72 -10.779 -14.401 -4.044 1.00 1.20 H new ATOM 0 HE21 GLN A 72 -8.624 -13.950 -5.967 1.00 1.60 H new ATOM 0 HE22 GLN A 72 -8.058 -15.551 -6.455 1.00 1.60 H new ATOM 866 N ASN A 73 -12.489 -14.002 -2.472 1.00 1.03 N ATOM 867 CA ASN A 73 -12.463 -14.383 -1.055 1.00 1.18 C ATOM 868 C ASN A 73 -12.232 -13.201 -0.119 1.00 1.00 C ATOM 869 O ASN A 73 -12.875 -13.071 0.919 1.00 1.24 O ATOM 870 CB ASN A 73 -11.385 -15.446 -0.819 1.00 1.56 C ATOM 871 CG ASN A 73 -11.439 -16.037 0.577 1.00 1.73 C ATOM 872 OD1 ASN A 73 -12.504 -16.121 1.191 1.00 2.41 O ATOM 873 ND2 ASN A 73 -10.294 -16.456 1.086 1.00 2.12 N ATOM 0 H ASN A 73 -11.636 -13.558 -2.813 1.00 1.03 H new ATOM 0 HA ASN A 73 -13.449 -14.784 -0.822 1.00 1.18 H new ATOM 0 HB2 ASN A 73 -11.502 -16.245 -1.552 1.00 1.56 H new ATOM 0 HB3 ASN A 73 -10.403 -15.004 -0.984 1.00 1.56 H new ATOM 0 HD21 ASN A 73 -10.271 -16.867 2.019 1.00 2.12 H new ATOM 0 HD22 ASN A 73 -9.433 -16.369 0.546 1.00 2.12 H new ATOM 880 N SER A 74 -11.321 -12.338 -0.524 1.00 1.13 N ATOM 881 CA SER A 74 -10.714 -11.336 0.345 1.00 1.53 C ATOM 882 C SER A 74 -11.602 -10.108 0.561 1.00 1.47 C ATOM 883 O SER A 74 -11.088 -9.021 0.827 1.00 1.93 O ATOM 884 CB SER A 74 -9.353 -10.923 -0.212 1.00 2.50 C ATOM 885 OG SER A 74 -8.653 -10.105 0.706 1.00 3.38 O ATOM 0 H SER A 74 -10.972 -12.309 -1.482 1.00 1.13 H new ATOM 0 HA SER A 74 -10.588 -11.797 1.325 1.00 1.53 H new ATOM 0 HB2 SER A 74 -8.763 -11.812 -0.435 1.00 2.50 H new ATOM 0 HB3 SER A 74 -9.489 -10.387 -1.151 1.00 2.50 H new ATOM 0 HG SER A 74 -9.293 -9.646 1.289 1.00 3.38 H new ATOM 891 N SER A 75 -12.914 -10.275 0.400 1.00 1.40 N ATOM 892 CA SER A 75 -13.868 -9.163 0.416 1.00 2.05 C ATOM 893 C SER A 75 -13.618 -8.165 1.559 1.00 1.90 C ATOM 894 O SER A 75 -13.906 -6.975 1.408 1.00 2.43 O ATOM 895 CB SER A 75 -15.290 -9.719 0.499 1.00 2.46 C ATOM 896 OG SER A 75 -15.548 -10.612 -0.577 1.00 2.75 O ATOM 0 H SER A 75 -13.348 -11.187 0.254 1.00 1.40 H new ATOM 0 HA SER A 75 -13.731 -8.605 -0.510 1.00 2.05 H new ATOM 0 HB2 SER A 75 -15.428 -10.237 1.448 1.00 2.46 H new ATOM 0 HB3 SER A 75 -16.008 -8.899 0.477 1.00 2.46 H new ATOM 0 HG SER A 75 -16.462 -10.957 -0.504 1.00 2.75 H new ATOM 902 N GLU A 76 -13.075 -8.624 2.680 1.00 1.26 N ATOM 903 CA GLU A 76 -12.589 -7.706 3.699 1.00 1.12 C ATOM 904 C GLU A 76 -11.073 -7.828 3.778 1.00 0.74 C ATOM 905 O GLU A 76 -10.541 -8.755 4.394 1.00 0.88 O ATOM 906 CB GLU A 76 -13.227 -7.990 5.062 1.00 1.46 C ATOM 907 CG GLU A 76 -12.867 -6.958 6.121 1.00 1.50 C ATOM 908 CD GLU A 76 -13.513 -7.238 7.461 1.00 2.10 C ATOM 909 OE1 GLU A 76 -14.579 -6.652 7.746 1.00 2.76 O ATOM 910 OE2 GLU A 76 -12.955 -8.040 8.240 1.00 2.59 O ATOM 0 H GLU A 76 -12.962 -9.613 2.904 1.00 1.26 H new ATOM 0 HA GLU A 76 -12.867 -6.688 3.425 1.00 1.12 H new ATOM 0 HB2 GLU A 76 -14.311 -8.022 4.949 1.00 1.46 H new ATOM 0 HB3 GLU A 76 -12.913 -8.976 5.404 1.00 1.46 H new ATOM 0 HG2 GLU A 76 -11.784 -6.933 6.244 1.00 1.50 H new ATOM 0 HG3 GLU A 76 -13.171 -5.970 5.776 1.00 1.50 H new ATOM 917 N ALA A 77 -10.380 -6.903 3.132 1.00 0.55 N ATOM 918 CA ALA A 77 -8.937 -6.997 2.987 1.00 0.44 C ATOM 919 C ALA A 77 -8.214 -5.898 3.747 1.00 0.37 C ATOM 920 O ALA A 77 -8.814 -4.911 4.171 1.00 0.42 O ATOM 921 CB ALA A 77 -8.558 -6.931 1.516 1.00 0.71 C ATOM 0 H ALA A 77 -10.795 -6.078 2.699 1.00 0.55 H new ATOM 0 HA ALA A 77 -8.629 -7.953 3.410 1.00 0.44 H new ATOM 0 HB1 ALA A 77 -7.475 -7.002 1.416 1.00 0.71 H new ATOM 0 HB2 ALA A 77 -9.027 -7.758 0.982 1.00 0.71 H new ATOM 0 HB3 ALA A 77 -8.900 -5.986 1.094 1.00 0.71 H new ATOM 927 N LYS A 78 -6.916 -6.087 3.905 1.00 0.35 N ATOM 928 CA LYS A 78 -6.052 -5.082 4.493 1.00 0.37 C ATOM 929 C LYS A 78 -5.095 -4.591 3.419 1.00 0.33 C ATOM 930 O LYS A 78 -4.518 -5.395 2.684 1.00 0.37 O ATOM 931 CB LYS A 78 -5.275 -5.666 5.676 1.00 0.50 C ATOM 932 CG LYS A 78 -6.161 -6.207 6.788 1.00 0.63 C ATOM 933 CD LYS A 78 -5.338 -6.888 7.868 1.00 0.89 C ATOM 934 CE LYS A 78 -6.216 -7.472 8.964 1.00 1.04 C ATOM 935 NZ LYS A 78 -6.924 -6.419 9.738 1.00 1.67 N ATOM 0 H LYS A 78 -6.432 -6.942 3.629 1.00 0.35 H new ATOM 0 HA LYS A 78 -6.650 -4.252 4.868 1.00 0.37 H new ATOM 0 HB2 LYS A 78 -4.631 -6.468 5.315 1.00 0.50 H new ATOM 0 HB3 LYS A 78 -4.623 -4.895 6.087 1.00 0.50 H new ATOM 0 HG2 LYS A 78 -6.737 -5.392 7.226 1.00 0.63 H new ATOM 0 HG3 LYS A 78 -6.877 -6.916 6.373 1.00 0.63 H new ATOM 0 HD2 LYS A 78 -4.738 -7.681 7.422 1.00 0.89 H new ATOM 0 HD3 LYS A 78 -4.643 -6.169 8.303 1.00 0.89 H new ATOM 0 HE2 LYS A 78 -6.947 -8.147 8.520 1.00 1.04 H new ATOM 0 HE3 LYS A 78 -5.602 -8.067 9.640 1.00 1.04 H new ATOM 0 HZ1 LYS A 78 -7.092 -6.755 10.708 1.00 1.67 H new ATOM 0 HZ2 LYS A 78 -6.341 -5.558 9.766 1.00 1.67 H new ATOM 0 HZ3 LYS A 78 -7.834 -6.206 9.282 1.00 1.67 H new ATOM 949 N ILE A 79 -4.943 -3.283 3.308 1.00 0.29 N ATOM 950 CA ILE A 79 -4.139 -2.706 2.241 1.00 0.29 C ATOM 951 C ILE A 79 -3.117 -1.722 2.810 1.00 0.29 C ATOM 952 O ILE A 79 -3.410 -0.981 3.747 1.00 0.40 O ATOM 953 CB ILE A 79 -5.033 -1.991 1.195 1.00 0.31 C ATOM 954 CG1 ILE A 79 -6.093 -2.955 0.649 1.00 0.37 C ATOM 955 CG2 ILE A 79 -4.189 -1.431 0.055 1.00 0.35 C ATOM 956 CD1 ILE A 79 -7.080 -2.302 -0.295 1.00 0.49 C ATOM 0 H ILE A 79 -5.363 -2.601 3.940 1.00 0.29 H new ATOM 0 HA ILE A 79 -3.610 -3.520 1.746 1.00 0.29 H new ATOM 0 HB ILE A 79 -5.537 -1.160 1.688 1.00 0.31 H new ATOM 0 HG12 ILE A 79 -5.594 -3.774 0.130 1.00 0.37 H new ATOM 0 HG13 ILE A 79 -6.638 -3.393 1.485 1.00 0.37 H new ATOM 0 HG21 ILE A 79 -4.837 -0.934 -0.667 1.00 0.35 H new ATOM 0 HG22 ILE A 79 -3.471 -0.714 0.452 1.00 0.35 H new ATOM 0 HG23 ILE A 79 -3.655 -2.245 -0.436 1.00 0.35 H new ATOM 0 HD11 ILE A 79 -7.799 -3.045 -0.640 1.00 0.49 H new ATOM 0 HD12 ILE A 79 -7.606 -1.502 0.225 1.00 0.49 H new ATOM 0 HD13 ILE A 79 -6.546 -1.888 -1.151 1.00 0.49 H new ATOM 968 N LEU A 80 -1.915 -1.738 2.255 1.00 0.23 N ATOM 969 CA LEU A 80 -0.862 -0.823 2.671 1.00 0.28 C ATOM 970 C LEU A 80 -0.605 0.182 1.553 1.00 0.30 C ATOM 971 O LEU A 80 -0.525 -0.197 0.391 1.00 0.45 O ATOM 972 CB LEU A 80 0.424 -1.609 2.966 1.00 0.40 C ATOM 973 CG LEU A 80 1.288 -1.103 4.133 1.00 0.57 C ATOM 974 CD1 LEU A 80 2.588 -1.891 4.200 1.00 1.22 C ATOM 975 CD2 LEU A 80 1.583 0.384 4.012 1.00 1.40 C ATOM 0 H LEU A 80 -1.643 -2.379 1.510 1.00 0.23 H new ATOM 0 HA LEU A 80 -1.171 -0.297 3.574 1.00 0.28 H new ATOM 0 HB2 LEU A 80 0.151 -2.645 3.168 1.00 0.40 H new ATOM 0 HB3 LEU A 80 1.037 -1.611 2.064 1.00 0.40 H new ATOM 0 HG LEU A 80 0.724 -1.255 5.054 1.00 0.57 H new ATOM 0 HD11 LEU A 80 3.193 -1.525 5.030 1.00 1.22 H new ATOM 0 HD12 LEU A 80 2.366 -2.947 4.351 1.00 1.22 H new ATOM 0 HD13 LEU A 80 3.138 -1.766 3.267 1.00 1.22 H new ATOM 0 HD21 LEU A 80 2.196 0.703 4.855 1.00 1.40 H new ATOM 0 HD22 LEU A 80 2.118 0.574 3.082 1.00 1.40 H new ATOM 0 HD23 LEU A 80 0.647 0.942 4.012 1.00 1.40 H new ATOM 987 N ILE A 81 -0.497 1.456 1.896 1.00 0.27 N ATOM 988 CA ILE A 81 -0.146 2.476 0.913 1.00 0.27 C ATOM 989 C ILE A 81 1.169 3.151 1.301 1.00 0.27 C ATOM 990 O ILE A 81 1.205 3.989 2.199 1.00 0.33 O ATOM 991 CB ILE A 81 -1.258 3.544 0.758 1.00 0.29 C ATOM 992 CG1 ILE A 81 -2.521 2.924 0.151 1.00 0.28 C ATOM 993 CG2 ILE A 81 -0.772 4.693 -0.113 1.00 0.34 C ATOM 994 CD1 ILE A 81 -3.727 3.841 0.174 1.00 0.38 C ATOM 0 H ILE A 81 -0.646 1.810 2.841 1.00 0.27 H new ATOM 0 HA ILE A 81 -0.033 1.974 -0.048 1.00 0.27 H new ATOM 0 HB ILE A 81 -1.501 3.930 1.748 1.00 0.29 H new ATOM 0 HG12 ILE A 81 -2.314 2.638 -0.880 1.00 0.28 H new ATOM 0 HG13 ILE A 81 -2.762 2.010 0.693 1.00 0.28 H new ATOM 0 HG21 ILE A 81 -1.564 5.435 -0.212 1.00 0.34 H new ATOM 0 HG22 ILE A 81 0.101 5.155 0.348 1.00 0.34 H new ATOM 0 HG23 ILE A 81 -0.504 4.314 -1.099 1.00 0.34 H new ATOM 0 HD11 ILE A 81 -4.580 3.331 -0.273 1.00 0.38 H new ATOM 0 HD12 ILE A 81 -3.962 4.107 1.205 1.00 0.38 H new ATOM 0 HD13 ILE A 81 -3.507 4.745 -0.393 1.00 0.38 H new ATOM 1006 N LEU A 82 2.245 2.755 0.634 1.00 0.27 N ATOM 1007 CA LEU A 82 3.563 3.329 0.875 1.00 0.31 C ATOM 1008 C LEU A 82 3.831 4.472 -0.094 1.00 0.34 C ATOM 1009 O LEU A 82 4.170 4.249 -1.250 1.00 0.59 O ATOM 1010 CB LEU A 82 4.649 2.261 0.713 1.00 0.43 C ATOM 1011 CG LEU A 82 4.642 1.150 1.763 1.00 0.76 C ATOM 1012 CD1 LEU A 82 5.634 0.062 1.392 1.00 1.61 C ATOM 1013 CD2 LEU A 82 4.971 1.714 3.136 1.00 1.08 C ATOM 0 H LEU A 82 2.230 2.032 -0.085 1.00 0.27 H new ATOM 0 HA LEU A 82 3.585 3.711 1.895 1.00 0.31 H new ATOM 0 HB2 LEU A 82 4.543 1.807 -0.272 1.00 0.43 H new ATOM 0 HB3 LEU A 82 5.622 2.751 0.735 1.00 0.43 H new ATOM 0 HG LEU A 82 3.643 0.715 1.795 1.00 0.76 H new ATOM 0 HD11 LEU A 82 5.616 -0.721 2.150 1.00 1.61 H new ATOM 0 HD12 LEU A 82 5.363 -0.363 0.425 1.00 1.61 H new ATOM 0 HD13 LEU A 82 6.636 0.488 1.334 1.00 1.61 H new ATOM 0 HD21 LEU A 82 4.962 0.910 3.872 1.00 1.08 H new ATOM 0 HD22 LEU A 82 5.959 2.174 3.113 1.00 1.08 H new ATOM 0 HD23 LEU A 82 4.228 2.464 3.409 1.00 1.08 H new ATOM 1025 N LEU A 83 3.680 5.692 0.372 1.00 0.35 N ATOM 1026 CA LEU A 83 3.899 6.852 -0.475 1.00 0.42 C ATOM 1027 C LEU A 83 4.882 7.815 0.165 1.00 0.44 C ATOM 1028 O LEU A 83 5.088 7.785 1.376 1.00 0.55 O ATOM 1029 CB LEU A 83 2.569 7.566 -0.772 1.00 0.45 C ATOM 1030 CG LEU A 83 1.537 7.589 0.366 1.00 0.49 C ATOM 1031 CD1 LEU A 83 2.047 8.370 1.564 1.00 1.17 C ATOM 1032 CD2 LEU A 83 0.223 8.177 -0.126 1.00 1.13 C ATOM 0 H LEU A 83 3.407 5.910 1.330 1.00 0.35 H new ATOM 0 HA LEU A 83 4.325 6.504 -1.416 1.00 0.42 H new ATOM 0 HB2 LEU A 83 2.790 8.596 -1.054 1.00 0.45 H new ATOM 0 HB3 LEU A 83 2.111 7.089 -1.639 1.00 0.45 H new ATOM 0 HG LEU A 83 1.370 6.560 0.685 1.00 0.49 H new ATOM 0 HD11 LEU A 83 1.291 8.366 2.350 1.00 1.17 H new ATOM 0 HD12 LEU A 83 2.961 7.908 1.937 1.00 1.17 H new ATOM 0 HD13 LEU A 83 2.255 9.398 1.267 1.00 1.17 H new ATOM 0 HD21 LEU A 83 -0.499 8.187 0.690 1.00 1.13 H new ATOM 0 HD22 LEU A 83 0.389 9.196 -0.477 1.00 1.13 H new ATOM 0 HD23 LEU A 83 -0.163 7.570 -0.945 1.00 1.13 H new ATOM 1044 N GLU A 84 5.512 8.648 -0.642 1.00 0.43 N ATOM 1045 CA GLU A 84 6.305 9.723 -0.090 1.00 0.45 C ATOM 1046 C GLU A 84 5.464 10.988 -0.112 1.00 0.47 C ATOM 1047 O GLU A 84 5.328 11.641 -1.148 1.00 0.54 O ATOM 1048 CB GLU A 84 7.602 9.888 -0.900 1.00 0.55 C ATOM 1049 CG GLU A 84 8.639 10.808 -0.266 1.00 1.29 C ATOM 1050 CD GLU A 84 8.383 12.276 -0.537 1.00 1.47 C ATOM 1051 OE1 GLU A 84 7.903 12.983 0.373 1.00 1.94 O ATOM 1052 OE2 GLU A 84 8.660 12.731 -1.666 1.00 2.04 O ATOM 0 H GLU A 84 5.490 8.602 -1.661 1.00 0.43 H new ATOM 0 HA GLU A 84 6.593 9.504 0.938 1.00 0.45 H new ATOM 0 HB2 GLU A 84 8.050 8.905 -1.046 1.00 0.55 H new ATOM 0 HB3 GLU A 84 7.350 10.274 -1.888 1.00 0.55 H new ATOM 0 HG2 GLU A 84 8.652 10.641 0.811 1.00 1.29 H new ATOM 0 HG3 GLU A 84 9.627 10.543 -0.642 1.00 1.29 H new ATOM 1059 N LYS A 85 4.930 11.321 1.056 1.00 0.45 N ATOM 1060 CA LYS A 85 4.050 12.472 1.262 1.00 0.56 C ATOM 1061 C LYS A 85 3.824 12.639 2.757 1.00 0.53 C ATOM 1062 O LYS A 85 3.894 11.660 3.501 1.00 0.53 O ATOM 1063 CB LYS A 85 2.673 12.270 0.595 1.00 0.74 C ATOM 1064 CG LYS A 85 2.629 12.499 -0.908 1.00 1.00 C ATOM 1065 CD LYS A 85 1.235 12.248 -1.460 1.00 0.91 C ATOM 1066 CE LYS A 85 1.183 12.429 -2.968 1.00 1.66 C ATOM 1067 NZ LYS A 85 1.521 13.816 -3.380 1.00 2.02 N ATOM 0 H LYS A 85 5.099 10.788 1.909 1.00 0.45 H new ATOM 0 HA LYS A 85 4.526 13.346 0.818 1.00 0.56 H new ATOM 0 HB2 LYS A 85 2.336 11.254 0.799 1.00 0.74 H new ATOM 0 HB3 LYS A 85 1.958 12.944 1.068 1.00 0.74 H new ATOM 0 HG2 LYS A 85 2.933 13.521 -1.132 1.00 1.00 H new ATOM 0 HG3 LYS A 85 3.343 11.839 -1.401 1.00 1.00 H new ATOM 0 HD2 LYS A 85 0.920 11.236 -1.204 1.00 0.91 H new ATOM 0 HD3 LYS A 85 0.529 12.931 -0.988 1.00 0.91 H new ATOM 0 HE2 LYS A 85 1.876 11.733 -3.440 1.00 1.66 H new ATOM 0 HE3 LYS A 85 0.185 12.178 -3.328 1.00 1.66 H new ATOM 0 HZ1 LYS A 85 1.310 13.939 -4.391 1.00 2.02 H new ATOM 0 HZ2 LYS A 85 0.957 14.490 -2.824 1.00 2.02 H new ATOM 0 HZ3 LYS A 85 2.533 13.991 -3.214 1.00 2.02 H new ATOM 1081 N PRO A 86 3.570 13.862 3.233 1.00 0.60 N ATOM 1082 CA PRO A 86 3.084 14.069 4.592 1.00 0.62 C ATOM 1083 C PRO A 86 1.598 13.733 4.669 1.00 0.61 C ATOM 1084 O PRO A 86 0.780 14.374 4.005 1.00 0.68 O ATOM 1085 CB PRO A 86 3.315 15.569 4.848 1.00 0.74 C ATOM 1086 CG PRO A 86 4.050 16.085 3.649 1.00 0.85 C ATOM 1087 CD PRO A 86 3.758 15.130 2.526 1.00 0.74 C ATOM 0 HA PRO A 86 3.588 13.440 5.326 1.00 0.62 H new ATOM 0 HB2 PRO A 86 2.368 16.092 4.980 1.00 0.74 H new ATOM 0 HB3 PRO A 86 3.895 15.725 5.758 1.00 0.74 H new ATOM 0 HG2 PRO A 86 3.721 17.093 3.396 1.00 0.85 H new ATOM 0 HG3 PRO A 86 5.121 16.139 3.844 1.00 0.85 H new ATOM 0 HD2 PRO A 86 2.868 15.420 1.967 1.00 0.74 H new ATOM 0 HD3 PRO A 86 4.580 15.079 1.812 1.00 0.74 H new ATOM 1095 N VAL A 87 1.243 12.738 5.470 1.00 0.59 N ATOM 1096 CA VAL A 87 -0.137 12.263 5.512 1.00 0.62 C ATOM 1097 C VAL A 87 -0.709 12.303 6.923 1.00 0.62 C ATOM 1098 O VAL A 87 -0.019 12.000 7.900 1.00 0.66 O ATOM 1099 CB VAL A 87 -0.270 10.830 4.945 1.00 0.69 C ATOM 1100 CG1 VAL A 87 0.012 10.817 3.450 1.00 1.17 C ATOM 1101 CG2 VAL A 87 0.655 9.863 5.673 1.00 0.88 C ATOM 0 H VAL A 87 1.883 12.247 6.095 1.00 0.59 H new ATOM 0 HA VAL A 87 -0.710 12.944 4.883 1.00 0.62 H new ATOM 0 HB VAL A 87 -1.296 10.499 5.106 1.00 0.69 H new ATOM 0 HG11 VAL A 87 -0.087 9.800 3.070 1.00 1.17 H new ATOM 0 HG12 VAL A 87 -0.700 11.466 2.940 1.00 1.17 H new ATOM 0 HG13 VAL A 87 1.025 11.176 3.268 1.00 1.17 H new ATOM 0 HG21 VAL A 87 0.540 8.864 5.253 1.00 0.88 H new ATOM 0 HG22 VAL A 87 1.688 10.189 5.555 1.00 0.88 H new ATOM 0 HG23 VAL A 87 0.400 9.843 6.732 1.00 0.88 H new ATOM 1111 N SER A 88 -1.959 12.721 7.023 1.00 0.69 N ATOM 1112 CA SER A 88 -2.663 12.739 8.293 1.00 0.76 C ATOM 1113 C SER A 88 -3.604 11.537 8.396 1.00 0.72 C ATOM 1114 O SER A 88 -3.957 10.939 7.376 1.00 0.69 O ATOM 1115 CB SER A 88 -3.453 14.043 8.430 1.00 0.92 C ATOM 1116 OG SER A 88 -4.402 14.172 7.384 1.00 1.44 O ATOM 0 H SER A 88 -2.511 13.055 6.233 1.00 0.69 H new ATOM 0 HA SER A 88 -1.935 12.678 9.102 1.00 0.76 H new ATOM 0 HB2 SER A 88 -3.962 14.065 9.393 1.00 0.92 H new ATOM 0 HB3 SER A 88 -2.769 14.891 8.412 1.00 0.92 H new ATOM 0 HG SER A 88 -4.896 15.011 7.492 1.00 1.44 H new ATOM 1122 N PRO A 89 -4.019 11.159 9.618 1.00 0.78 N ATOM 1123 CA PRO A 89 -5.026 10.110 9.815 1.00 0.79 C ATOM 1124 C PRO A 89 -6.320 10.428 9.072 1.00 0.67 C ATOM 1125 O PRO A 89 -7.023 9.530 8.604 1.00 0.65 O ATOM 1126 CB PRO A 89 -5.264 10.115 11.326 1.00 0.98 C ATOM 1127 CG PRO A 89 -4.024 10.698 11.907 1.00 1.14 C ATOM 1128 CD PRO A 89 -3.523 11.693 10.899 1.00 0.92 C ATOM 0 HA PRO A 89 -4.695 9.144 9.433 1.00 0.79 H new ATOM 0 HB2 PRO A 89 -6.140 10.710 11.586 1.00 0.98 H new ATOM 0 HB3 PRO A 89 -5.440 9.107 11.702 1.00 0.98 H new ATOM 0 HG2 PRO A 89 -4.230 11.180 12.862 1.00 1.14 H new ATOM 0 HG3 PRO A 89 -3.280 9.924 12.095 1.00 1.14 H new ATOM 0 HD2 PRO A 89 -3.910 12.693 11.095 1.00 0.92 H new ATOM 0 HD3 PRO A 89 -2.435 11.764 10.911 1.00 0.92 H new ATOM 1136 N GLU A 90 -6.617 11.721 8.961 1.00 0.71 N ATOM 1137 CA GLU A 90 -7.791 12.190 8.237 1.00 0.72 C ATOM 1138 C GLU A 90 -7.724 11.773 6.772 1.00 0.64 C ATOM 1139 O GLU A 90 -8.693 11.242 6.224 1.00 0.68 O ATOM 1140 CB GLU A 90 -7.896 13.711 8.339 1.00 0.87 C ATOM 1141 CG GLU A 90 -9.092 14.296 7.608 1.00 1.24 C ATOM 1142 CD GLU A 90 -9.108 15.806 7.654 1.00 1.76 C ATOM 1143 OE1 GLU A 90 -9.407 16.366 8.726 1.00 2.43 O ATOM 1144 OE2 GLU A 90 -8.818 16.441 6.619 1.00 2.37 O ATOM 0 H GLU A 90 -6.053 12.467 9.368 1.00 0.71 H new ATOM 0 HA GLU A 90 -8.675 11.737 8.686 1.00 0.72 H new ATOM 0 HB2 GLU A 90 -7.953 13.992 9.391 1.00 0.87 H new ATOM 0 HB3 GLU A 90 -6.985 14.156 7.939 1.00 0.87 H new ATOM 0 HG2 GLU A 90 -9.077 13.966 6.569 1.00 1.24 H new ATOM 0 HG3 GLU A 90 -10.010 13.911 8.052 1.00 1.24 H new ATOM 1151 N TYR A 91 -6.575 12.009 6.147 1.00 0.62 N ATOM 1152 CA TYR A 91 -6.379 11.649 4.750 1.00 0.62 C ATOM 1153 C TYR A 91 -6.426 10.136 4.582 1.00 0.52 C ATOM 1154 O TYR A 91 -6.949 9.628 3.588 1.00 0.52 O ATOM 1155 CB TYR A 91 -5.049 12.201 4.234 1.00 0.72 C ATOM 1156 CG TYR A 91 -4.782 11.883 2.779 1.00 1.20 C ATOM 1157 CD1 TYR A 91 -3.729 11.057 2.409 1.00 1.63 C ATOM 1158 CD2 TYR A 91 -5.590 12.405 1.776 1.00 2.22 C ATOM 1159 CE1 TYR A 91 -3.486 10.761 1.081 1.00 2.36 C ATOM 1160 CE2 TYR A 91 -5.354 12.114 0.446 1.00 3.00 C ATOM 1161 CZ TYR A 91 -4.302 11.291 0.103 1.00 2.89 C ATOM 1162 OH TYR A 91 -4.065 10.998 -1.221 1.00 3.78 O ATOM 0 H TYR A 91 -5.766 12.448 6.587 1.00 0.62 H new ATOM 0 HA TYR A 91 -7.185 12.090 4.164 1.00 0.62 H new ATOM 0 HB2 TYR A 91 -5.038 13.283 4.368 1.00 0.72 H new ATOM 0 HB3 TYR A 91 -4.238 11.796 4.840 1.00 0.72 H new ATOM 0 HD1 TYR A 91 -3.089 10.639 3.172 1.00 1.63 H new ATOM 0 HD2 TYR A 91 -6.416 13.049 2.040 1.00 2.22 H new ATOM 0 HE1 TYR A 91 -2.662 10.118 0.810 1.00 2.36 H new ATOM 0 HE2 TYR A 91 -5.991 12.529 -0.321 1.00 3.00 H new ATOM 0 HH TYR A 91 -3.883 11.826 -1.712 1.00 3.78 H new ATOM 1172 N GLU A 92 -5.893 9.420 5.565 1.00 0.48 N ATOM 1173 CA GLU A 92 -5.948 7.971 5.564 1.00 0.42 C ATOM 1174 C GLU A 92 -7.395 7.500 5.557 1.00 0.42 C ATOM 1175 O GLU A 92 -7.760 6.602 4.802 1.00 0.43 O ATOM 1176 CB GLU A 92 -5.224 7.405 6.782 1.00 0.48 C ATOM 1177 CG GLU A 92 -5.336 5.896 6.887 1.00 0.49 C ATOM 1178 CD GLU A 92 -4.633 5.338 8.101 1.00 0.65 C ATOM 1179 OE1 GLU A 92 -3.437 5.001 8.003 1.00 1.46 O ATOM 1180 OE2 GLU A 92 -5.281 5.219 9.160 1.00 1.14 O ATOM 0 H GLU A 92 -5.418 9.824 6.372 1.00 0.48 H new ATOM 0 HA GLU A 92 -5.451 7.610 4.664 1.00 0.42 H new ATOM 0 HB2 GLU A 92 -4.171 7.684 6.735 1.00 0.48 H new ATOM 0 HB3 GLU A 92 -5.633 7.858 7.685 1.00 0.48 H new ATOM 0 HG2 GLU A 92 -6.389 5.616 6.923 1.00 0.49 H new ATOM 0 HG3 GLU A 92 -4.916 5.442 5.989 1.00 0.49 H new ATOM 1187 N LYS A 93 -8.218 8.129 6.388 1.00 0.47 N ATOM 1188 CA LYS A 93 -9.627 7.783 6.485 1.00 0.54 C ATOM 1189 C LYS A 93 -10.334 8.049 5.160 1.00 0.53 C ATOM 1190 O LYS A 93 -11.246 7.325 4.783 1.00 0.55 O ATOM 1191 CB LYS A 93 -10.295 8.571 7.617 1.00 0.69 C ATOM 1192 CG LYS A 93 -11.731 8.150 7.892 1.00 1.51 C ATOM 1193 CD LYS A 93 -12.319 8.909 9.073 1.00 2.25 C ATOM 1194 CE LYS A 93 -13.746 8.472 9.372 1.00 2.80 C ATOM 1195 NZ LYS A 93 -14.681 8.803 8.263 1.00 3.25 N ATOM 0 H LYS A 93 -7.929 8.886 7.007 1.00 0.47 H new ATOM 0 HA LYS A 93 -9.707 6.720 6.711 1.00 0.54 H new ATOM 0 HB2 LYS A 93 -9.709 8.448 8.528 1.00 0.69 H new ATOM 0 HB3 LYS A 93 -10.278 9.632 7.368 1.00 0.69 H new ATOM 0 HG2 LYS A 93 -12.339 8.327 7.005 1.00 1.51 H new ATOM 0 HG3 LYS A 93 -11.765 7.079 8.093 1.00 1.51 H new ATOM 0 HD2 LYS A 93 -11.698 8.748 9.954 1.00 2.25 H new ATOM 0 HD3 LYS A 93 -12.303 9.978 8.862 1.00 2.25 H new ATOM 0 HE2 LYS A 93 -13.765 7.397 9.552 1.00 2.80 H new ATOM 0 HE3 LYS A 93 -14.087 8.954 10.288 1.00 2.80 H new ATOM 0 HZ1 LYS A 93 -15.659 8.628 8.570 1.00 3.25 H new ATOM 0 HZ2 LYS A 93 -14.573 9.805 8.005 1.00 3.25 H new ATOM 0 HZ3 LYS A 93 -14.465 8.208 7.438 1.00 3.25 H new ATOM 1209 N LYS A 94 -9.892 9.080 4.446 1.00 0.54 N ATOM 1210 CA LYS A 94 -10.458 9.400 3.140 1.00 0.59 C ATOM 1211 C LYS A 94 -10.224 8.259 2.157 1.00 0.52 C ATOM 1212 O LYS A 94 -11.110 7.908 1.378 1.00 0.57 O ATOM 1213 CB LYS A 94 -9.860 10.696 2.587 1.00 0.67 C ATOM 1214 CG LYS A 94 -10.178 11.932 3.417 1.00 1.19 C ATOM 1215 CD LYS A 94 -11.678 12.167 3.542 1.00 1.48 C ATOM 1216 CE LYS A 94 -12.339 12.396 2.190 1.00 1.97 C ATOM 1217 NZ LYS A 94 -11.807 13.602 1.507 1.00 2.44 N ATOM 0 H LYS A 94 -9.146 9.706 4.749 1.00 0.54 H new ATOM 0 HA LYS A 94 -11.531 9.540 3.268 1.00 0.59 H new ATOM 0 HB2 LYS A 94 -8.778 10.585 2.521 1.00 0.67 H new ATOM 0 HB3 LYS A 94 -10.227 10.849 1.572 1.00 0.67 H new ATOM 0 HG2 LYS A 94 -9.744 11.822 4.411 1.00 1.19 H new ATOM 0 HG3 LYS A 94 -9.711 12.805 2.960 1.00 1.19 H new ATOM 0 HD2 LYS A 94 -12.139 11.308 4.029 1.00 1.48 H new ATOM 0 HD3 LYS A 94 -11.857 13.031 4.183 1.00 1.48 H new ATOM 0 HE2 LYS A 94 -12.182 11.522 1.557 1.00 1.97 H new ATOM 0 HE3 LYS A 94 -13.415 12.502 2.326 1.00 1.97 H new ATOM 0 HZ1 LYS A 94 -12.395 13.818 0.677 1.00 2.44 H new ATOM 0 HZ2 LYS A 94 -11.824 14.409 2.163 1.00 2.44 H new ATOM 0 HZ3 LYS A 94 -10.829 13.425 1.202 1.00 2.44 H new ATOM 1231 N LEU A 95 -9.034 7.675 2.207 1.00 0.47 N ATOM 1232 CA LEU A 95 -8.690 6.566 1.327 1.00 0.45 C ATOM 1233 C LEU A 95 -9.276 5.259 1.854 1.00 0.39 C ATOM 1234 O LEU A 95 -9.668 4.384 1.080 1.00 0.41 O ATOM 1235 CB LEU A 95 -7.171 6.447 1.186 1.00 0.46 C ATOM 1236 CG LEU A 95 -6.470 7.679 0.603 1.00 0.54 C ATOM 1237 CD1 LEU A 95 -4.970 7.448 0.519 1.00 1.14 C ATOM 1238 CD2 LEU A 95 -7.034 8.019 -0.769 1.00 1.12 C ATOM 0 H LEU A 95 -8.290 7.951 2.848 1.00 0.47 H new ATOM 0 HA LEU A 95 -9.117 6.764 0.344 1.00 0.45 H new ATOM 0 HB2 LEU A 95 -6.747 6.238 2.168 1.00 0.46 H new ATOM 0 HB3 LEU A 95 -6.947 5.588 0.553 1.00 0.46 H new ATOM 0 HG LEU A 95 -6.653 8.523 1.268 1.00 0.54 H new ATOM 0 HD11 LEU A 95 -4.488 8.333 0.103 1.00 1.14 H new ATOM 0 HD12 LEU A 95 -4.575 7.255 1.516 1.00 1.14 H new ATOM 0 HD13 LEU A 95 -4.769 6.590 -0.123 1.00 1.14 H new ATOM 0 HD21 LEU A 95 -6.523 8.896 -1.165 1.00 1.12 H new ATOM 0 HD22 LEU A 95 -6.883 7.176 -1.443 1.00 1.12 H new ATOM 0 HD23 LEU A 95 -8.100 8.228 -0.682 1.00 1.12 H new ATOM 1250 N GLN A 96 -9.341 5.139 3.175 1.00 0.37 N ATOM 1251 CA GLN A 96 -9.926 3.968 3.819 1.00 0.40 C ATOM 1252 C GLN A 96 -11.427 3.926 3.532 1.00 0.45 C ATOM 1253 O GLN A 96 -12.014 2.858 3.384 1.00 0.49 O ATOM 1254 CB GLN A 96 -9.643 4.014 5.333 1.00 0.53 C ATOM 1255 CG GLN A 96 -9.926 2.720 6.101 1.00 0.60 C ATOM 1256 CD GLN A 96 -11.311 2.679 6.726 1.00 1.30 C ATOM 1257 OE1 GLN A 96 -11.506 3.130 7.856 1.00 1.79 O ATOM 1258 NE2 GLN A 96 -12.279 2.131 6.014 1.00 2.20 N ATOM 0 H GLN A 96 -8.993 5.844 3.825 1.00 0.37 H new ATOM 0 HA GLN A 96 -9.477 3.058 3.420 1.00 0.40 H new ATOM 0 HB2 GLN A 96 -8.596 4.281 5.480 1.00 0.53 H new ATOM 0 HB3 GLN A 96 -10.241 4.813 5.772 1.00 0.53 H new ATOM 0 HG2 GLN A 96 -9.816 1.873 5.424 1.00 0.60 H new ATOM 0 HG3 GLN A 96 -9.178 2.601 6.885 1.00 0.60 H new ATOM 0 HE21 GLN A 96 -12.083 1.767 5.081 1.00 2.20 H new ATOM 0 HE22 GLN A 96 -13.223 2.072 6.397 1.00 2.20 H new ATOM 1267 N LYS A 97 -12.043 5.099 3.458 1.00 0.52 N ATOM 1268 CA LYS A 97 -13.448 5.202 3.080 1.00 0.64 C ATOM 1269 C LYS A 97 -13.623 5.128 1.564 1.00 0.65 C ATOM 1270 O LYS A 97 -14.711 4.822 1.076 1.00 0.72 O ATOM 1271 CB LYS A 97 -14.069 6.496 3.613 1.00 0.78 C ATOM 1272 CG LYS A 97 -14.229 6.529 5.127 1.00 1.44 C ATOM 1273 CD LYS A 97 -15.119 5.405 5.656 1.00 1.95 C ATOM 1274 CE LYS A 97 -16.581 5.554 5.237 1.00 2.39 C ATOM 1275 NZ LYS A 97 -16.846 5.063 3.857 1.00 2.87 N ATOM 0 H LYS A 97 -11.592 5.993 3.655 1.00 0.52 H new ATOM 0 HA LYS A 97 -13.965 4.354 3.529 1.00 0.64 H new ATOM 0 HB2 LYS A 97 -13.449 7.338 3.305 1.00 0.78 H new ATOM 0 HB3 LYS A 97 -15.047 6.635 3.152 1.00 0.78 H new ATOM 0 HG2 LYS A 97 -13.246 6.457 5.593 1.00 1.44 H new ATOM 0 HG3 LYS A 97 -14.652 7.489 5.422 1.00 1.44 H new ATOM 0 HD2 LYS A 97 -14.739 4.449 5.296 1.00 1.95 H new ATOM 0 HD3 LYS A 97 -15.059 5.383 6.744 1.00 1.95 H new ATOM 0 HE2 LYS A 97 -17.211 5.007 5.938 1.00 2.39 H new ATOM 0 HE3 LYS A 97 -16.867 6.604 5.304 1.00 2.39 H new ATOM 0 HZ1 LYS A 97 -16.916 5.873 3.208 1.00 2.87 H new ATOM 0 HZ2 LYS A 97 -16.068 4.442 3.554 1.00 2.87 H new ATOM 0 HZ3 LYS A 97 -17.739 4.531 3.844 1.00 2.87 H new ATOM 1289 N TYR A 98 -12.555 5.414 0.826 1.00 0.63 N ATOM 1290 CA TYR A 98 -12.596 5.360 -0.632 1.00 0.68 C ATOM 1291 C TYR A 98 -12.801 3.925 -1.099 1.00 0.64 C ATOM 1292 O TYR A 98 -13.693 3.642 -1.896 1.00 0.73 O ATOM 1293 CB TYR A 98 -11.305 5.936 -1.228 1.00 0.71 C ATOM 1294 CG TYR A 98 -11.259 5.913 -2.743 1.00 1.02 C ATOM 1295 CD1 TYR A 98 -10.482 4.979 -3.419 1.00 1.91 C ATOM 1296 CD2 TYR A 98 -11.991 6.825 -3.493 1.00 1.78 C ATOM 1297 CE1 TYR A 98 -10.437 4.954 -4.800 1.00 2.65 C ATOM 1298 CE2 TYR A 98 -11.951 6.806 -4.875 1.00 2.50 C ATOM 1299 CZ TYR A 98 -11.173 5.870 -5.523 1.00 2.73 C ATOM 1300 OH TYR A 98 -11.134 5.845 -6.900 1.00 3.64 O ATOM 0 H TYR A 98 -11.651 5.685 1.213 1.00 0.63 H new ATOM 0 HA TYR A 98 -13.434 5.964 -0.979 1.00 0.68 H new ATOM 0 HB2 TYR A 98 -11.187 6.965 -0.887 1.00 0.71 H new ATOM 0 HB3 TYR A 98 -10.456 5.373 -0.841 1.00 0.71 H new ATOM 0 HD1 TYR A 98 -9.904 4.261 -2.856 1.00 1.91 H new ATOM 0 HD2 TYR A 98 -12.601 7.560 -2.989 1.00 1.78 H new ATOM 0 HE1 TYR A 98 -9.829 4.222 -5.310 1.00 2.65 H new ATOM 0 HE2 TYR A 98 -12.526 7.521 -5.444 1.00 2.50 H new ATOM 0 HH TYR A 98 -11.708 6.555 -7.256 1.00 3.64 H new ATOM 1310 N ALA A 99 -11.986 3.025 -0.582 1.00 0.56 N ATOM 1311 CA ALA A 99 -12.110 1.610 -0.889 1.00 0.56 C ATOM 1312 C ALA A 99 -12.534 0.857 0.353 1.00 0.52 C ATOM 1313 O ALA A 99 -11.961 1.064 1.421 1.00 0.60 O ATOM 1314 CB ALA A 99 -10.791 1.065 -1.404 1.00 0.59 C ATOM 0 H ALA A 99 -11.224 3.250 0.058 1.00 0.56 H new ATOM 0 HA ALA A 99 -12.865 1.479 -1.664 1.00 0.56 H new ATOM 0 HB1 ALA A 99 -10.899 0.004 -1.630 1.00 0.59 H new ATOM 0 HB2 ALA A 99 -10.504 1.601 -2.309 1.00 0.59 H new ATOM 0 HB3 ALA A 99 -10.021 1.198 -0.644 1.00 0.59 H new ATOM 1320 N ASP A 100 -13.532 -0.006 0.236 1.00 0.54 N ATOM 1321 CA ASP A 100 -13.995 -0.738 1.403 1.00 0.53 C ATOM 1322 C ASP A 100 -12.986 -1.814 1.766 1.00 0.47 C ATOM 1323 O ASP A 100 -12.952 -2.894 1.177 1.00 0.51 O ATOM 1324 CB ASP A 100 -15.371 -1.355 1.137 1.00 0.66 C ATOM 1325 CG ASP A 100 -15.837 -2.241 2.274 1.00 0.99 C ATOM 1326 OD1 ASP A 100 -16.037 -1.731 3.395 1.00 1.77 O ATOM 1327 OD2 ASP A 100 -16.023 -3.454 2.046 1.00 1.73 O ATOM 0 H ASP A 100 -14.026 -0.213 -0.632 1.00 0.54 H new ATOM 0 HA ASP A 100 -14.091 -0.048 2.241 1.00 0.53 H new ATOM 0 HB2 ASP A 100 -16.099 -0.559 0.979 1.00 0.66 H new ATOM 0 HB3 ASP A 100 -15.333 -1.939 0.217 1.00 0.66 H new ATOM 1332 N ALA A 101 -12.189 -1.491 2.764 1.00 0.42 N ATOM 1333 CA ALA A 101 -11.131 -2.346 3.255 1.00 0.39 C ATOM 1334 C ALA A 101 -10.514 -1.674 4.458 1.00 0.37 C ATOM 1335 O ALA A 101 -10.987 -0.622 4.893 1.00 0.50 O ATOM 1336 CB ALA A 101 -10.080 -2.582 2.174 1.00 0.43 C ATOM 0 H ALA A 101 -12.262 -0.606 3.267 1.00 0.42 H new ATOM 0 HA ALA A 101 -11.535 -3.320 3.532 1.00 0.39 H new ATOM 0 HB1 ALA A 101 -9.294 -3.228 2.566 1.00 0.43 H new ATOM 0 HB2 ALA A 101 -10.546 -3.059 1.312 1.00 0.43 H new ATOM 0 HB3 ALA A 101 -9.649 -1.628 1.871 1.00 0.43 H new ATOM 1342 N GLU A 102 -9.463 -2.257 4.986 1.00 0.31 N ATOM 1343 CA GLU A 102 -8.723 -1.612 6.044 1.00 0.31 C ATOM 1344 C GLU A 102 -7.355 -1.197 5.525 1.00 0.29 C ATOM 1345 O GLU A 102 -6.390 -1.965 5.602 1.00 0.36 O ATOM 1346 CB GLU A 102 -8.574 -2.541 7.244 1.00 0.41 C ATOM 1347 CG GLU A 102 -9.834 -3.318 7.588 1.00 0.76 C ATOM 1348 CD GLU A 102 -9.665 -4.170 8.828 1.00 1.16 C ATOM 1349 OE1 GLU A 102 -10.103 -3.736 9.915 1.00 1.77 O ATOM 1350 OE2 GLU A 102 -9.090 -5.272 8.725 1.00 1.77 O ATOM 0 H GLU A 102 -9.104 -3.169 4.703 1.00 0.31 H new ATOM 0 HA GLU A 102 -9.270 -0.727 6.369 1.00 0.31 H new ATOM 0 HB2 GLU A 102 -7.768 -3.247 7.045 1.00 0.41 H new ATOM 0 HB3 GLU A 102 -8.275 -1.952 8.111 1.00 0.41 H new ATOM 0 HG2 GLU A 102 -10.658 -2.621 7.739 1.00 0.76 H new ATOM 0 HG3 GLU A 102 -10.106 -3.955 6.747 1.00 0.76 H new ATOM 1357 N VAL A 103 -7.271 0.006 4.975 1.00 0.27 N ATOM 1358 CA VAL A 103 -6.011 0.495 4.450 1.00 0.32 C ATOM 1359 C VAL A 103 -5.251 1.241 5.533 1.00 0.32 C ATOM 1360 O VAL A 103 -5.837 1.937 6.366 1.00 0.38 O ATOM 1361 CB VAL A 103 -6.180 1.405 3.200 1.00 0.44 C ATOM 1362 CG1 VAL A 103 -6.576 2.821 3.576 1.00 0.70 C ATOM 1363 CG2 VAL A 103 -4.902 1.427 2.380 1.00 1.05 C ATOM 0 H VAL A 103 -8.054 0.653 4.883 1.00 0.27 H new ATOM 0 HA VAL A 103 -5.446 -0.380 4.129 1.00 0.32 H new ATOM 0 HB VAL A 103 -6.986 0.981 2.602 1.00 0.44 H new ATOM 0 HG11 VAL A 103 -6.683 3.421 2.672 1.00 0.70 H new ATOM 0 HG12 VAL A 103 -7.524 2.803 4.114 1.00 0.70 H new ATOM 0 HG13 VAL A 103 -5.806 3.257 4.212 1.00 0.70 H new ATOM 0 HG21 VAL A 103 -5.039 2.069 1.510 1.00 1.05 H new ATOM 0 HG22 VAL A 103 -4.085 1.812 2.990 1.00 1.05 H new ATOM 0 HG23 VAL A 103 -4.663 0.416 2.051 1.00 1.05 H new ATOM 1373 N ARG A 104 -3.954 1.060 5.537 1.00 0.33 N ATOM 1374 CA ARG A 104 -3.094 1.761 6.462 1.00 0.37 C ATOM 1375 C ARG A 104 -2.036 2.498 5.668 1.00 0.33 C ATOM 1376 O ARG A 104 -1.139 1.881 5.092 1.00 0.38 O ATOM 1377 CB ARG A 104 -2.451 0.775 7.439 1.00 0.46 C ATOM 1378 CG ARG A 104 -1.933 1.429 8.707 1.00 1.23 C ATOM 1379 CD ARG A 104 -1.385 0.396 9.674 1.00 1.26 C ATOM 1380 NE ARG A 104 -1.165 0.952 11.009 1.00 1.50 N ATOM 1381 CZ ARG A 104 -0.542 0.303 11.993 1.00 1.82 C ATOM 1382 NH1 ARG A 104 -0.047 -0.909 11.787 1.00 1.78 N ATOM 1383 NH2 ARG A 104 -0.422 0.868 13.186 1.00 2.71 N ATOM 0 H ARG A 104 -3.465 0.427 4.904 1.00 0.33 H new ATOM 0 HA ARG A 104 -3.675 2.475 7.046 1.00 0.37 H new ATOM 0 HB2 ARG A 104 -3.182 0.012 7.706 1.00 0.46 H new ATOM 0 HB3 ARG A 104 -1.627 0.266 6.939 1.00 0.46 H new ATOM 0 HG2 ARG A 104 -1.152 2.146 8.456 1.00 1.23 H new ATOM 0 HG3 ARG A 104 -2.737 1.988 9.185 1.00 1.23 H new ATOM 0 HD2 ARG A 104 -2.080 -0.441 9.741 1.00 1.26 H new ATOM 0 HD3 ARG A 104 -0.446 0.001 9.287 1.00 1.26 H new ATOM 0 HE ARG A 104 -1.509 1.893 11.199 1.00 1.50 H new ATOM 0 HH11 ARG A 104 -0.142 -1.350 10.872 1.00 1.78 H new ATOM 0 HH12 ARG A 104 0.429 -1.401 12.543 1.00 1.78 H new ATOM 0 HH21 ARG A 104 -0.806 1.798 13.351 1.00 2.71 H new ATOM 0 HH22 ARG A 104 0.054 0.372 13.939 1.00 2.71 H new ATOM 1397 N VAL A 105 -2.156 3.812 5.601 1.00 0.31 N ATOM 1398 CA VAL A 105 -1.261 4.588 4.771 1.00 0.31 C ATOM 1399 C VAL A 105 0.050 4.843 5.513 1.00 0.31 C ATOM 1400 O VAL A 105 0.052 5.081 6.721 1.00 0.41 O ATOM 1401 CB VAL A 105 -1.889 5.926 4.320 1.00 0.39 C ATOM 1402 CG1 VAL A 105 -3.216 5.680 3.614 1.00 0.64 C ATOM 1403 CG2 VAL A 105 -2.065 6.880 5.490 1.00 0.71 C ATOM 0 H VAL A 105 -2.856 4.356 6.106 1.00 0.31 H new ATOM 0 HA VAL A 105 -1.065 4.006 3.871 1.00 0.31 H new ATOM 0 HB VAL A 105 -1.204 6.397 3.615 1.00 0.39 H new ATOM 0 HG11 VAL A 105 -3.645 6.633 3.303 1.00 0.64 H new ATOM 0 HG12 VAL A 105 -3.051 5.053 2.738 1.00 0.64 H new ATOM 0 HG13 VAL A 105 -3.903 5.178 4.295 1.00 0.64 H new ATOM 0 HG21 VAL A 105 -2.509 7.811 5.137 1.00 0.71 H new ATOM 0 HG22 VAL A 105 -2.719 6.426 6.235 1.00 0.71 H new ATOM 0 HG23 VAL A 105 -1.094 7.089 5.939 1.00 0.71 H new ATOM 1413 N ARG A 106 1.163 4.760 4.808 1.00 0.31 N ATOM 1414 CA ARG A 106 2.468 4.972 5.418 1.00 0.35 C ATOM 1415 C ARG A 106 3.345 5.832 4.524 1.00 0.29 C ATOM 1416 O ARG A 106 3.341 5.682 3.301 1.00 0.31 O ATOM 1417 CB ARG A 106 3.163 3.636 5.694 1.00 0.46 C ATOM 1418 CG ARG A 106 2.595 2.862 6.875 1.00 0.79 C ATOM 1419 CD ARG A 106 2.758 3.630 8.178 1.00 0.87 C ATOM 1420 NE ARG A 106 2.465 2.800 9.347 1.00 1.30 N ATOM 1421 CZ ARG A 106 2.367 3.271 10.592 1.00 1.70 C ATOM 1422 NH1 ARG A 106 2.496 4.572 10.827 1.00 1.88 N ATOM 1423 NH2 ARG A 106 2.139 2.440 11.602 1.00 2.63 N ATOM 0 H ARG A 106 1.192 4.547 3.811 1.00 0.31 H new ATOM 0 HA ARG A 106 2.314 5.490 6.365 1.00 0.35 H new ATOM 0 HB2 ARG A 106 3.095 3.014 4.801 1.00 0.46 H new ATOM 0 HB3 ARG A 106 4.222 3.822 5.873 1.00 0.46 H new ATOM 0 HG2 ARG A 106 1.538 2.657 6.702 1.00 0.79 H new ATOM 0 HG3 ARG A 106 3.098 1.898 6.955 1.00 0.79 H new ATOM 0 HD2 ARG A 106 3.777 4.009 8.250 1.00 0.87 H new ATOM 0 HD3 ARG A 106 2.096 4.496 8.173 1.00 0.87 H new ATOM 0 HE ARG A 106 2.327 1.800 9.201 1.00 1.30 H new ATOM 0 HH11 ARG A 106 2.671 5.215 10.055 1.00 1.88 H new ATOM 0 HH12 ARG A 106 2.420 4.928 11.780 1.00 1.88 H new ATOM 0 HH21 ARG A 106 2.039 1.440 11.427 1.00 2.63 H new ATOM 0 HH22 ARG A 106 2.064 2.801 12.553 1.00 2.63 H new ATOM 1437 N THR A 107 4.092 6.732 5.138 1.00 0.34 N ATOM 1438 CA THR A 107 4.994 7.593 4.401 1.00 0.36 C ATOM 1439 C THR A 107 6.400 6.989 4.394 1.00 0.40 C ATOM 1440 O THR A 107 6.909 6.547 5.432 1.00 0.56 O ATOM 1441 CB THR A 107 5.004 9.030 4.982 1.00 0.50 C ATOM 1442 OG1 THR A 107 5.855 9.883 4.206 1.00 0.56 O ATOM 1443 CG2 THR A 107 5.451 9.046 6.435 1.00 0.64 C ATOM 0 H THR A 107 4.090 6.884 6.147 1.00 0.34 H new ATOM 0 HA THR A 107 4.640 7.666 3.373 1.00 0.36 H new ATOM 0 HB THR A 107 3.981 9.403 4.936 1.00 0.50 H new ATOM 0 HG1 THR A 107 5.336 10.641 3.865 1.00 0.56 H new ATOM 0 HG21 THR A 107 5.445 10.071 6.806 1.00 0.64 H new ATOM 0 HG22 THR A 107 4.770 8.440 7.032 1.00 0.64 H new ATOM 0 HG23 THR A 107 6.459 8.639 6.510 1.00 0.64 H new ATOM 1451 N VAL A 108 7.006 6.936 3.218 1.00 0.44 N ATOM 1452 CA VAL A 108 8.310 6.315 3.055 1.00 0.60 C ATOM 1453 C VAL A 108 9.275 7.244 2.322 1.00 0.68 C ATOM 1454 O VAL A 108 8.985 7.727 1.227 1.00 0.86 O ATOM 1455 CB VAL A 108 8.201 4.966 2.300 1.00 0.71 C ATOM 1456 CG1 VAL A 108 7.447 5.125 0.986 1.00 1.34 C ATOM 1457 CG2 VAL A 108 9.579 4.374 2.050 1.00 0.97 C ATOM 0 H VAL A 108 6.612 7.318 2.358 1.00 0.44 H new ATOM 0 HA VAL A 108 8.702 6.122 4.054 1.00 0.60 H new ATOM 0 HB VAL A 108 7.637 4.280 2.932 1.00 0.71 H new ATOM 0 HG11 VAL A 108 7.388 4.161 0.481 1.00 1.34 H new ATOM 0 HG12 VAL A 108 6.440 5.492 1.186 1.00 1.34 H new ATOM 0 HG13 VAL A 108 7.972 5.837 0.349 1.00 1.34 H new ATOM 0 HG21 VAL A 108 9.478 3.428 1.519 1.00 0.97 H new ATOM 0 HG22 VAL A 108 10.169 5.066 1.449 1.00 0.97 H new ATOM 0 HG23 VAL A 108 10.080 4.203 3.003 1.00 0.97 H new ATOM 1467 N THR A 109 10.419 7.500 2.935 1.00 0.68 N ATOM 1468 CA THR A 109 11.438 8.330 2.323 1.00 0.78 C ATOM 1469 C THR A 109 12.737 7.552 2.127 1.00 0.71 C ATOM 1470 O THR A 109 13.713 8.087 1.594 1.00 0.88 O ATOM 1471 CB THR A 109 11.712 9.598 3.156 1.00 0.96 C ATOM 1472 OG1 THR A 109 11.951 9.263 4.532 1.00 1.22 O ATOM 1473 CG2 THR A 109 10.548 10.570 3.059 1.00 1.11 C ATOM 0 H THR A 109 10.664 7.143 3.859 1.00 0.68 H new ATOM 0 HA THR A 109 11.057 8.634 1.348 1.00 0.78 H new ATOM 0 HB THR A 109 12.604 10.075 2.750 1.00 0.96 H new ATOM 0 HG1 THR A 109 12.140 8.304 4.607 1.00 1.22 H new ATOM 0 HG21 THR A 109 10.764 11.457 3.655 1.00 1.11 H new ATOM 0 HG22 THR A 109 10.401 10.859 2.018 1.00 1.11 H new ATOM 0 HG23 THR A 109 9.643 10.092 3.434 1.00 1.11 H new ATOM 1481 N SER A 110 12.756 6.295 2.567 1.00 0.59 N ATOM 1482 CA SER A 110 13.936 5.451 2.413 1.00 0.54 C ATOM 1483 C SER A 110 13.561 3.977 2.396 1.00 0.49 C ATOM 1484 O SER A 110 12.590 3.575 3.042 1.00 0.51 O ATOM 1485 CB SER A 110 14.938 5.675 3.544 1.00 0.62 C ATOM 1486 OG SER A 110 15.046 7.047 3.891 1.00 0.93 O ATOM 0 H SER A 110 11.969 5.841 3.031 1.00 0.59 H new ATOM 0 HA SER A 110 14.391 5.729 1.462 1.00 0.54 H new ATOM 0 HB2 SER A 110 14.632 5.102 4.419 1.00 0.62 H new ATOM 0 HB3 SER A 110 15.916 5.299 3.243 1.00 0.62 H new ATOM 0 HG SER A 110 15.695 7.150 4.618 1.00 0.93 H new ATOM 1492 N PRO A 111 14.311 3.171 1.642 1.00 0.49 N ATOM 1493 CA PRO A 111 14.136 1.720 1.572 1.00 0.49 C ATOM 1494 C PRO A 111 13.790 1.056 2.904 1.00 0.45 C ATOM 1495 O PRO A 111 12.783 0.347 3.010 1.00 0.50 O ATOM 1496 CB PRO A 111 15.503 1.264 1.097 1.00 0.58 C ATOM 1497 CG PRO A 111 15.955 2.349 0.183 1.00 0.60 C ATOM 1498 CD PRO A 111 15.385 3.627 0.737 1.00 0.54 C ATOM 0 HA PRO A 111 13.297 1.449 0.931 1.00 0.49 H new ATOM 0 HB2 PRO A 111 16.192 1.135 1.932 1.00 0.58 H new ATOM 0 HB3 PRO A 111 15.445 0.306 0.580 1.00 0.58 H new ATOM 0 HG2 PRO A 111 17.043 2.394 0.140 1.00 0.60 H new ATOM 0 HG3 PRO A 111 15.603 2.174 -0.834 1.00 0.60 H new ATOM 0 HD2 PRO A 111 16.140 4.203 1.271 1.00 0.54 H new ATOM 0 HD3 PRO A 111 14.996 4.268 -0.054 1.00 0.54 H new ATOM 1506 N ASP A 112 14.614 1.302 3.918 1.00 0.47 N ATOM 1507 CA ASP A 112 14.474 0.628 5.208 1.00 0.49 C ATOM 1508 C ASP A 112 13.102 0.852 5.821 1.00 0.43 C ATOM 1509 O ASP A 112 12.528 -0.064 6.406 1.00 0.45 O ATOM 1510 CB ASP A 112 15.558 1.079 6.186 1.00 0.60 C ATOM 1511 CG ASP A 112 16.927 0.558 5.809 1.00 1.16 C ATOM 1512 OD1 ASP A 112 17.113 -0.676 5.797 1.00 1.71 O ATOM 1513 OD2 ASP A 112 17.826 1.376 5.527 1.00 2.04 O ATOM 0 H ASP A 112 15.388 1.965 3.873 1.00 0.47 H new ATOM 0 HA ASP A 112 14.590 -0.439 5.018 1.00 0.49 H new ATOM 0 HB2 ASP A 112 15.583 2.168 6.219 1.00 0.60 H new ATOM 0 HB3 ASP A 112 15.305 0.735 7.189 1.00 0.60 H new ATOM 1518 N GLU A 113 12.570 2.059 5.670 1.00 0.43 N ATOM 1519 CA GLU A 113 11.256 2.384 6.207 1.00 0.45 C ATOM 1520 C GLU A 113 10.196 1.478 5.598 1.00 0.37 C ATOM 1521 O GLU A 113 9.375 0.899 6.310 1.00 0.40 O ATOM 1522 CB GLU A 113 10.905 3.842 5.930 1.00 0.57 C ATOM 1523 CG GLU A 113 11.881 4.832 6.534 1.00 0.78 C ATOM 1524 CD GLU A 113 11.440 6.261 6.324 1.00 1.46 C ATOM 1525 OE1 GLU A 113 10.983 6.897 7.297 1.00 2.21 O ATOM 1526 OE2 GLU A 113 11.516 6.745 5.181 1.00 2.13 O ATOM 0 H GLU A 113 13.028 2.828 5.181 1.00 0.43 H new ATOM 0 HA GLU A 113 11.284 2.228 7.285 1.00 0.45 H new ATOM 0 HB2 GLU A 113 10.865 3.998 4.852 1.00 0.57 H new ATOM 0 HB3 GLU A 113 9.907 4.046 6.319 1.00 0.57 H new ATOM 0 HG2 GLU A 113 11.981 4.637 7.602 1.00 0.78 H new ATOM 0 HG3 GLU A 113 12.866 4.687 6.090 1.00 0.78 H new ATOM 1533 N ALA A 114 10.235 1.346 4.276 1.00 0.37 N ATOM 1534 CA ALA A 114 9.298 0.488 3.563 1.00 0.39 C ATOM 1535 C ALA A 114 9.441 -0.955 4.022 1.00 0.36 C ATOM 1536 O ALA A 114 8.450 -1.634 4.275 1.00 0.38 O ATOM 1537 CB ALA A 114 9.519 0.587 2.061 1.00 0.48 C ATOM 0 H ALA A 114 10.908 1.824 3.676 1.00 0.37 H new ATOM 0 HA ALA A 114 8.286 0.826 3.788 1.00 0.39 H new ATOM 0 HB1 ALA A 114 8.810 -0.061 1.545 1.00 0.48 H new ATOM 0 HB2 ALA A 114 9.370 1.617 1.738 1.00 0.48 H new ATOM 0 HB3 ALA A 114 10.536 0.275 1.822 1.00 0.48 H new ATOM 1543 N LYS A 115 10.686 -1.405 4.150 1.00 0.38 N ATOM 1544 CA LYS A 115 10.970 -2.776 4.561 1.00 0.45 C ATOM 1545 C LYS A 115 10.440 -3.051 5.968 1.00 0.39 C ATOM 1546 O LYS A 115 10.074 -4.183 6.291 1.00 0.44 O ATOM 1547 CB LYS A 115 12.475 -3.058 4.485 1.00 0.57 C ATOM 1548 CG LYS A 115 13.038 -2.922 3.077 1.00 0.75 C ATOM 1549 CD LYS A 115 14.468 -3.442 2.956 1.00 0.77 C ATOM 1550 CE LYS A 115 15.491 -2.526 3.618 1.00 1.22 C ATOM 1551 NZ LYS A 115 15.585 -2.730 5.090 1.00 1.53 N ATOM 0 H LYS A 115 11.516 -0.839 3.975 1.00 0.38 H new ATOM 0 HA LYS A 115 10.456 -3.448 3.873 1.00 0.45 H new ATOM 0 HB2 LYS A 115 13.001 -2.371 5.148 1.00 0.57 H new ATOM 0 HB3 LYS A 115 12.669 -4.066 4.851 1.00 0.57 H new ATOM 0 HG2 LYS A 115 12.399 -3.466 2.382 1.00 0.75 H new ATOM 0 HG3 LYS A 115 13.012 -1.873 2.780 1.00 0.75 H new ATOM 0 HD2 LYS A 115 14.528 -4.432 3.408 1.00 0.77 H new ATOM 0 HD3 LYS A 115 14.719 -3.557 1.902 1.00 0.77 H new ATOM 0 HE2 LYS A 115 16.469 -2.698 3.169 1.00 1.22 H new ATOM 0 HE3 LYS A 115 15.226 -1.488 3.416 1.00 1.22 H new ATOM 0 HZ1 LYS A 115 15.871 -1.840 5.546 1.00 1.53 H new ATOM 0 HZ2 LYS A 115 14.659 -3.026 5.459 1.00 1.53 H new ATOM 0 HZ3 LYS A 115 16.290 -3.466 5.294 1.00 1.53 H new ATOM 1565 N ARG A 116 10.391 -2.012 6.797 1.00 0.36 N ATOM 1566 CA ARG A 116 9.813 -2.129 8.131 1.00 0.39 C ATOM 1567 C ARG A 116 8.313 -2.379 8.040 1.00 0.35 C ATOM 1568 O ARG A 116 7.798 -3.339 8.616 1.00 0.42 O ATOM 1569 CB ARG A 116 10.058 -0.861 8.956 1.00 0.50 C ATOM 1570 CG ARG A 116 11.506 -0.622 9.340 1.00 1.14 C ATOM 1571 CD ARG A 116 11.630 0.606 10.229 1.00 1.65 C ATOM 1572 NE ARG A 116 13.009 0.876 10.631 1.00 2.40 N ATOM 1573 CZ ARG A 116 13.357 1.317 11.841 1.00 3.29 C ATOM 1574 NH1 ARG A 116 12.435 1.502 12.779 1.00 3.61 N ATOM 1575 NH2 ARG A 116 14.628 1.579 12.114 1.00 4.21 N ATOM 0 H ARG A 116 10.744 -1.082 6.569 1.00 0.36 H new ATOM 0 HA ARG A 116 10.298 -2.971 8.625 1.00 0.39 H new ATOM 0 HB2 ARG A 116 9.700 -0.001 8.390 1.00 0.50 H new ATOM 0 HB3 ARG A 116 9.460 -0.915 9.866 1.00 0.50 H new ATOM 0 HG2 ARG A 116 11.898 -1.495 9.861 1.00 1.14 H new ATOM 0 HG3 ARG A 116 12.109 -0.489 8.442 1.00 1.14 H new ATOM 0 HD2 ARG A 116 11.234 1.473 9.701 1.00 1.65 H new ATOM 0 HD3 ARG A 116 11.017 0.468 11.120 1.00 1.65 H new ATOM 0 HE ARG A 116 13.748 0.718 9.946 1.00 2.40 H new ATOM 0 HH11 ARG A 116 11.455 1.307 12.576 1.00 3.61 H new ATOM 0 HH12 ARG A 116 12.707 1.839 13.702 1.00 3.61 H new ATOM 0 HH21 ARG A 116 15.342 1.443 11.398 1.00 4.21 H new ATOM 0 HH22 ARG A 116 14.892 1.916 13.040 1.00 4.21 H new ATOM 1589 N TRP A 117 7.623 -1.514 7.304 1.00 0.31 N ATOM 1590 CA TRP A 117 6.169 -1.585 7.196 1.00 0.32 C ATOM 1591 C TRP A 117 5.732 -2.860 6.486 1.00 0.30 C ATOM 1592 O TRP A 117 4.804 -3.535 6.927 1.00 0.36 O ATOM 1593 CB TRP A 117 5.618 -0.362 6.453 1.00 0.36 C ATOM 1594 CG TRP A 117 6.013 0.951 7.064 1.00 0.40 C ATOM 1595 CD1 TRP A 117 6.556 2.022 6.414 1.00 0.47 C ATOM 1596 CD2 TRP A 117 5.899 1.333 8.442 1.00 0.56 C ATOM 1597 NE1 TRP A 117 6.788 3.044 7.301 1.00 0.53 N ATOM 1598 CE2 TRP A 117 6.394 2.646 8.551 1.00 0.60 C ATOM 1599 CE3 TRP A 117 5.429 0.694 9.593 1.00 0.76 C ATOM 1600 CZ2 TRP A 117 6.429 3.329 9.762 1.00 0.80 C ATOM 1601 CZ3 TRP A 117 5.466 1.376 10.793 1.00 0.98 C ATOM 1602 CH2 TRP A 117 5.964 2.680 10.869 1.00 0.99 C ATOM 0 H TRP A 117 8.048 -0.754 6.772 1.00 0.31 H new ATOM 0 HA TRP A 117 5.765 -1.596 8.208 1.00 0.32 H new ATOM 0 HB2 TRP A 117 5.965 -0.390 5.420 1.00 0.36 H new ATOM 0 HB3 TRP A 117 4.530 -0.426 6.425 1.00 0.36 H new ATOM 0 HD1 TRP A 117 6.772 2.060 5.356 1.00 0.47 H new ATOM 0 HE1 TRP A 117 7.189 3.952 7.067 1.00 0.53 H new ATOM 0 HE3 TRP A 117 5.044 -0.314 9.545 1.00 0.76 H new ATOM 0 HZ2 TRP A 117 6.811 4.337 9.824 1.00 0.80 H new ATOM 0 HZ3 TRP A 117 5.104 0.893 11.689 1.00 0.98 H new ATOM 0 HH2 TRP A 117 5.981 3.185 11.824 1.00 0.99 H new ATOM 1613 N ILE A 118 6.410 -3.184 5.390 1.00 0.29 N ATOM 1614 CA ILE A 118 6.105 -4.382 4.611 1.00 0.32 C ATOM 1615 C ILE A 118 6.201 -5.636 5.476 1.00 0.36 C ATOM 1616 O ILE A 118 5.352 -6.527 5.399 1.00 0.40 O ATOM 1617 CB ILE A 118 7.058 -4.511 3.399 1.00 0.41 C ATOM 1618 CG1 ILE A 118 6.783 -3.395 2.388 1.00 0.44 C ATOM 1619 CG2 ILE A 118 6.925 -5.877 2.738 1.00 0.51 C ATOM 1620 CD1 ILE A 118 7.753 -3.369 1.226 1.00 0.57 C ATOM 0 H ILE A 118 7.181 -2.629 5.018 1.00 0.29 H new ATOM 0 HA ILE A 118 5.082 -4.284 4.246 1.00 0.32 H new ATOM 0 HB ILE A 118 8.082 -4.413 3.760 1.00 0.41 H new ATOM 0 HG12 ILE A 118 5.770 -3.510 2.001 1.00 0.44 H new ATOM 0 HG13 ILE A 118 6.821 -2.435 2.902 1.00 0.44 H new ATOM 0 HG21 ILE A 118 7.607 -5.939 1.890 1.00 0.51 H new ATOM 0 HG22 ILE A 118 7.172 -6.656 3.459 1.00 0.51 H new ATOM 0 HG23 ILE A 118 5.901 -6.015 2.391 1.00 0.51 H new ATOM 0 HD11 ILE A 118 7.493 -2.552 0.553 1.00 0.57 H new ATOM 0 HD12 ILE A 118 8.766 -3.223 1.601 1.00 0.57 H new ATOM 0 HD13 ILE A 118 7.699 -4.314 0.686 1.00 0.57 H new ATOM 1632 N LYS A 119 7.227 -5.682 6.312 1.00 0.41 N ATOM 1633 CA LYS A 119 7.460 -6.825 7.179 1.00 0.53 C ATOM 1634 C LYS A 119 6.321 -6.973 8.189 1.00 0.55 C ATOM 1635 O LYS A 119 5.777 -8.064 8.370 1.00 0.67 O ATOM 1636 CB LYS A 119 8.798 -6.657 7.903 1.00 0.63 C ATOM 1637 CG LYS A 119 9.261 -7.876 8.691 1.00 1.09 C ATOM 1638 CD LYS A 119 9.690 -9.029 7.789 1.00 1.34 C ATOM 1639 CE LYS A 119 8.551 -10.001 7.514 1.00 2.05 C ATOM 1640 NZ LYS A 119 9.006 -11.193 6.750 1.00 2.66 N ATOM 0 H LYS A 119 7.915 -4.935 6.408 1.00 0.41 H new ATOM 0 HA LYS A 119 7.495 -7.729 6.572 1.00 0.53 H new ATOM 0 HB2 LYS A 119 9.563 -6.406 7.168 1.00 0.63 H new ATOM 0 HB3 LYS A 119 8.721 -5.810 8.585 1.00 0.63 H new ATOM 0 HG2 LYS A 119 10.094 -7.593 9.334 1.00 1.09 H new ATOM 0 HG3 LYS A 119 8.454 -8.210 9.343 1.00 1.09 H new ATOM 0 HD2 LYS A 119 10.061 -8.630 6.845 1.00 1.34 H new ATOM 0 HD3 LYS A 119 10.517 -9.564 8.256 1.00 1.34 H new ATOM 0 HE2 LYS A 119 8.113 -10.322 8.459 1.00 2.05 H new ATOM 0 HE3 LYS A 119 7.766 -9.491 6.956 1.00 2.05 H new ATOM 0 HZ1 LYS A 119 8.429 -12.017 7.016 1.00 2.66 H new ATOM 0 HZ2 LYS A 119 8.903 -11.012 5.731 1.00 2.66 H new ATOM 0 HZ3 LYS A 119 10.005 -11.385 6.968 1.00 2.66 H new ATOM 1654 N GLU A 120 5.952 -5.861 8.819 1.00 0.51 N ATOM 1655 CA GLU A 120 4.889 -5.853 9.821 1.00 0.63 C ATOM 1656 C GLU A 120 3.541 -6.170 9.191 1.00 0.60 C ATOM 1657 O GLU A 120 2.816 -7.040 9.665 1.00 0.79 O ATOM 1658 CB GLU A 120 4.824 -4.489 10.512 1.00 0.71 C ATOM 1659 CG GLU A 120 6.061 -4.161 11.330 1.00 1.43 C ATOM 1660 CD GLU A 120 6.234 -5.085 12.516 1.00 1.83 C ATOM 1661 OE1 GLU A 120 5.962 -4.653 13.656 1.00 2.48 O ATOM 1662 OE2 GLU A 120 6.647 -6.246 12.317 1.00 2.33 O ATOM 0 H GLU A 120 6.376 -4.948 8.652 1.00 0.51 H new ATOM 0 HA GLU A 120 5.117 -6.623 10.558 1.00 0.63 H new ATOM 0 HB2 GLU A 120 4.682 -3.715 9.757 1.00 0.71 H new ATOM 0 HB3 GLU A 120 3.951 -4.463 11.163 1.00 0.71 H new ATOM 0 HG2 GLU A 120 6.942 -4.226 10.692 1.00 1.43 H new ATOM 0 HG3 GLU A 120 5.997 -3.131 11.682 1.00 1.43 H new ATOM 1669 N PHE A 121 3.224 -5.466 8.114 1.00 0.44 N ATOM 1670 CA PHE A 121 1.937 -5.604 7.444 1.00 0.43 C ATOM 1671 C PHE A 121 1.700 -7.039 6.986 1.00 0.46 C ATOM 1672 O PHE A 121 0.576 -7.542 7.042 1.00 0.54 O ATOM 1673 CB PHE A 121 1.877 -4.648 6.252 1.00 0.38 C ATOM 1674 CG PHE A 121 0.591 -4.706 5.483 1.00 0.43 C ATOM 1675 CD1 PHE A 121 -0.575 -4.189 6.019 1.00 1.37 C ATOM 1676 CD2 PHE A 121 0.552 -5.270 4.218 1.00 1.19 C ATOM 1677 CE1 PHE A 121 -1.757 -4.235 5.310 1.00 1.43 C ATOM 1678 CE2 PHE A 121 -0.626 -5.320 3.504 1.00 1.23 C ATOM 1679 CZ PHE A 121 -1.782 -4.801 4.051 1.00 0.67 C ATOM 0 H PHE A 121 3.848 -4.785 7.681 1.00 0.44 H new ATOM 0 HA PHE A 121 1.149 -5.351 8.154 1.00 0.43 H new ATOM 0 HB2 PHE A 121 2.028 -3.629 6.609 1.00 0.38 H new ATOM 0 HB3 PHE A 121 2.702 -4.875 5.577 1.00 0.38 H new ATOM 0 HD1 PHE A 121 -0.559 -3.745 7.003 1.00 1.37 H new ATOM 0 HD2 PHE A 121 1.455 -5.675 3.786 1.00 1.19 H new ATOM 0 HE1 PHE A 121 -2.661 -3.829 5.739 1.00 1.43 H new ATOM 0 HE2 PHE A 121 -0.644 -5.764 2.520 1.00 1.23 H new ATOM 0 HZ PHE A 121 -2.707 -4.838 3.494 1.00 0.67 H new ATOM 1689 N SER A 122 2.761 -7.694 6.539 1.00 0.44 N ATOM 1690 CA SER A 122 2.669 -9.069 6.082 1.00 0.50 C ATOM 1691 C SER A 122 2.424 -10.013 7.259 1.00 0.58 C ATOM 1692 O SER A 122 1.443 -10.761 7.275 1.00 0.80 O ATOM 1693 CB SER A 122 3.948 -9.463 5.338 1.00 0.57 C ATOM 1694 OG SER A 122 3.848 -10.766 4.785 1.00 1.31 O ATOM 0 H SER A 122 3.697 -7.293 6.484 1.00 0.44 H new ATOM 0 HA SER A 122 1.825 -9.151 5.397 1.00 0.50 H new ATOM 0 HB2 SER A 122 4.144 -8.743 4.543 1.00 0.57 H new ATOM 0 HB3 SER A 122 4.796 -9.421 6.022 1.00 0.57 H new ATOM 0 HG SER A 122 4.701 -11.235 4.896 1.00 1.31 H new ATOM 1700 N GLU A 123 3.297 -9.963 8.254 1.00 0.63 N ATOM 1701 CA GLU A 123 3.210 -10.877 9.381 1.00 0.81 C ATOM 1702 C GLU A 123 3.413 -10.147 10.707 1.00 0.92 C ATOM 1703 O GLU A 123 4.536 -9.988 11.186 1.00 1.44 O ATOM 1704 CB GLU A 123 4.218 -12.021 9.210 1.00 1.25 C ATOM 1705 CG GLU A 123 5.626 -11.562 8.867 1.00 1.57 C ATOM 1706 CD GLU A 123 6.549 -12.714 8.530 1.00 1.91 C ATOM 1707 OE1 GLU A 123 6.900 -13.491 9.440 1.00 2.53 O ATOM 1708 OE2 GLU A 123 6.937 -12.848 7.349 1.00 2.37 O ATOM 0 H GLU A 123 4.071 -9.301 8.303 1.00 0.63 H new ATOM 0 HA GLU A 123 2.207 -11.303 9.403 1.00 0.81 H new ATOM 0 HB2 GLU A 123 4.251 -12.602 10.132 1.00 1.25 H new ATOM 0 HB3 GLU A 123 3.864 -12.689 8.425 1.00 1.25 H new ATOM 0 HG2 GLU A 123 5.584 -10.876 8.021 1.00 1.57 H new ATOM 0 HG3 GLU A 123 6.038 -11.006 9.709 1.00 1.57 H new ATOM 1715 N GLU A 124 2.311 -9.686 11.282 1.00 1.15 N ATOM 1716 CA GLU A 124 2.337 -9.030 12.581 1.00 1.53 C ATOM 1717 C GLU A 124 2.634 -10.054 13.670 1.00 2.14 C ATOM 1718 O GLU A 124 1.743 -10.882 13.964 1.00 2.76 O ATOM 1719 CB GLU A 124 1.000 -8.334 12.859 1.00 1.74 C ATOM 1720 CG GLU A 124 0.594 -7.342 11.779 1.00 1.61 C ATOM 1721 CD GLU A 124 -0.686 -6.599 12.105 1.00 1.88 C ATOM 1722 OE1 GLU A 124 -0.603 -5.453 12.593 1.00 2.49 O ATOM 1723 OE2 GLU A 124 -1.782 -7.144 11.854 1.00 2.34 O ATOM 1724 OXT GLU A 124 3.754 -10.039 14.223 1.00 2.57 O ATOM 0 H GLU A 124 1.382 -9.755 10.866 1.00 1.15 H new ATOM 0 HA GLU A 124 3.123 -8.275 12.577 1.00 1.53 H new ATOM 0 HB2 GLU A 124 0.220 -9.089 12.959 1.00 1.74 H new ATOM 0 HB3 GLU A 124 1.063 -7.813 13.814 1.00 1.74 H new ATOM 0 HG2 GLU A 124 1.399 -6.621 11.635 1.00 1.61 H new ATOM 0 HG3 GLU A 124 0.469 -7.873 10.835 1.00 1.61 H new TER 1731 GLU A 124