USER MOD reduce.3.24.130724 H: found=0, std=0, add=557, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 561 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 74 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 78 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 61 THR OG1 : rot 180:sc= -0.0177 USER MOD Set 2.2: A 68 GLN :FLIP amide:sc= 0 F(o=-1.3,f=-0.018) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0.303 USER MOD Single : A 17 ASN : amide:sc= 0.38 K(o=0.38,f=-0.49) USER MOD Single : A 18 LYS NZ :NH3+ -159:sc= -0.562 (180deg=-1.14!) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 109:sc= 0.0231 USER MOD Single : A 28 ASN :FLIP amide:sc= -13.3! C(o=-15!,f=-13!) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 TYR OH : rot 180:sc= -0.799 USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 TYR OH : rot 180:sc=-0.000976 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 164:sc= -2.6! (180deg=-3.51!) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 120:sc= -0.464 USER MOD Single : A 77 GLN :FLIP amide:sc= -3.48! C(o=-5.7!,f=-3.5!) USER MOD Single : A 83 THR OG1 : rot 9:sc= 0.294 USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot 180:sc= -0.0336 USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 ASN : amide:sc= -2.08 K(o=-2.1,f=-3.2!) USER MOD ----------------------------------------------------------------- ATOM 90 N VAL A 7 -14.273 -5.333 -2.630 1.00 0.00 N ATOM 91 CA VAL A 7 -14.421 -4.083 -1.906 1.00 0.00 C ATOM 92 C VAL A 7 -13.493 -2.979 -2.430 1.00 0.00 C ATOM 93 O VAL A 7 -13.969 -2.010 -3.018 1.00 0.00 O ATOM 94 CB VAL A 7 -14.242 -4.263 -0.372 1.00 0.00 C ATOM 95 CG1 VAL A 7 -15.462 -3.744 0.355 1.00 0.00 C ATOM 96 CG2 VAL A 7 -14.004 -5.723 0.002 1.00 0.00 C ATOM 0 HA VAL A 7 -15.447 -3.762 -2.089 1.00 0.00 H new ATOM 0 HB VAL A 7 -13.363 -3.692 -0.073 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -15.328 -3.874 1.429 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -15.596 -2.686 0.131 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -16.343 -4.298 0.029 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -13.884 -5.807 1.082 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -14.856 -6.324 -0.316 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -13.102 -6.083 -0.492 1.00 0.00 H new ATOM 106 N PRO A 8 -12.162 -3.071 -2.208 1.00 0.00 N ATOM 107 CA PRO A 8 -11.220 -2.050 -2.640 1.00 0.00 C ATOM 108 C PRO A 8 -10.384 -2.460 -3.867 1.00 0.00 C ATOM 109 O PRO A 8 -10.929 -2.729 -4.937 1.00 0.00 O ATOM 110 CB PRO A 8 -10.362 -1.967 -1.386 1.00 0.00 C ATOM 111 CG PRO A 8 -10.191 -3.404 -0.999 1.00 0.00 C ATOM 112 CD PRO A 8 -11.436 -4.128 -1.484 1.00 0.00 C ATOM 0 HA PRO A 8 -11.687 -1.122 -2.970 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -9.404 -1.485 -1.583 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -10.851 -1.393 -0.599 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -9.294 -3.825 -1.454 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -10.078 -3.505 0.080 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -11.189 -4.968 -2.134 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -12.021 -4.527 -0.656 1.00 0.00 H new ATOM 120 N LEU A 9 -9.056 -2.487 -3.700 1.00 0.00 N ATOM 121 CA LEU A 9 -8.125 -2.836 -4.770 1.00 0.00 C ATOM 122 C LEU A 9 -8.378 -4.240 -5.318 1.00 0.00 C ATOM 123 O LEU A 9 -8.357 -5.223 -4.578 1.00 0.00 O ATOM 124 CB LEU A 9 -6.689 -2.757 -4.218 1.00 0.00 C ATOM 125 CG LEU A 9 -5.525 -2.907 -5.225 1.00 0.00 C ATOM 126 CD1 LEU A 9 -5.987 -3.474 -6.551 1.00 0.00 C ATOM 127 CD2 LEU A 9 -4.823 -1.578 -5.456 1.00 0.00 C ATOM 0 H LEU A 9 -8.600 -2.266 -2.815 1.00 0.00 H new ATOM 0 HA LEU A 9 -8.270 -2.132 -5.590 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -6.575 -1.797 -3.714 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -6.578 -3.531 -3.459 1.00 0.00 H new ATOM 0 HG LEU A 9 -4.821 -3.611 -4.781 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -5.136 -3.561 -7.226 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -6.427 -4.459 -6.392 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -6.732 -2.811 -6.991 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -4.009 -1.715 -6.168 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -5.535 -0.855 -5.853 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -4.421 -1.210 -4.512 1.00 0.00 H new ATOM 139 N THR A 10 -8.562 -4.323 -6.635 1.00 0.00 N ATOM 140 CA THR A 10 -8.752 -5.601 -7.300 1.00 0.00 C ATOM 141 C THR A 10 -7.422 -6.073 -7.883 1.00 0.00 C ATOM 142 O THR A 10 -6.812 -5.382 -8.700 1.00 0.00 O ATOM 143 CB THR A 10 -9.793 -5.493 -8.413 1.00 0.00 C ATOM 144 OG1 THR A 10 -11.085 -5.267 -7.875 1.00 0.00 O ATOM 145 CG2 THR A 10 -9.861 -6.734 -9.277 1.00 0.00 C ATOM 0 H THR A 10 -8.583 -3.516 -7.259 1.00 0.00 H new ATOM 0 HA THR A 10 -9.112 -6.322 -6.566 1.00 0.00 H new ATOM 0 HB THR A 10 -9.477 -4.652 -9.031 1.00 0.00 H new ATOM 0 HG1 THR A 10 -11.736 -5.199 -8.605 1.00 0.00 H new ATOM 0 HG21 THR A 10 -10.618 -6.598 -10.050 1.00 0.00 H new ATOM 0 HG22 THR A 10 -8.891 -6.905 -9.745 1.00 0.00 H new ATOM 0 HG23 THR A 10 -10.123 -7.593 -8.660 1.00 0.00 H new ATOM 153 N PHE A 11 -6.976 -7.240 -7.452 1.00 0.00 N ATOM 154 CA PHE A 11 -5.714 -7.803 -7.919 1.00 0.00 C ATOM 155 C PHE A 11 -5.919 -8.614 -9.200 1.00 0.00 C ATOM 156 O PHE A 11 -7.036 -8.715 -9.708 1.00 0.00 O ATOM 157 CB PHE A 11 -5.107 -8.673 -6.819 1.00 0.00 C ATOM 158 CG PHE A 11 -5.784 -9.987 -6.674 1.00 0.00 C ATOM 159 CD1 PHE A 11 -6.979 -10.103 -5.990 1.00 0.00 C ATOM 160 CD2 PHE A 11 -5.223 -11.104 -7.241 1.00 0.00 C ATOM 161 CE1 PHE A 11 -7.603 -11.326 -5.876 1.00 0.00 C ATOM 162 CE2 PHE A 11 -5.835 -12.328 -7.137 1.00 0.00 C ATOM 163 CZ PHE A 11 -7.029 -12.442 -6.454 1.00 0.00 C ATOM 0 H PHE A 11 -7.470 -7.822 -6.775 1.00 0.00 H new ATOM 0 HA PHE A 11 -5.027 -6.989 -8.150 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -4.051 -8.837 -7.035 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -5.159 -8.138 -5.871 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -7.427 -9.229 -5.542 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -4.288 -11.019 -7.776 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -8.535 -11.412 -5.338 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -5.384 -13.199 -7.588 1.00 0.00 H new ATOM 0 HZ PHE A 11 -7.514 -13.403 -6.371 1.00 0.00 H new ATOM 173 N THR A 12 -4.835 -9.184 -9.720 1.00 0.00 N ATOM 174 CA THR A 12 -4.905 -9.979 -10.949 1.00 0.00 C ATOM 175 C THR A 12 -5.285 -11.429 -10.650 1.00 0.00 C ATOM 176 O THR A 12 -5.815 -11.731 -9.591 1.00 0.00 O ATOM 177 CB THR A 12 -3.567 -9.928 -11.694 1.00 0.00 C ATOM 178 OG1 THR A 12 -3.733 -10.310 -13.050 1.00 0.00 O ATOM 179 CG2 THR A 12 -2.506 -10.821 -11.084 1.00 0.00 C ATOM 0 H THR A 12 -3.902 -9.113 -9.315 1.00 0.00 H new ATOM 0 HA THR A 12 -5.681 -9.549 -11.582 1.00 0.00 H new ATOM 0 HB THR A 12 -3.231 -8.894 -11.616 1.00 0.00 H new ATOM 0 HG1 THR A 12 -2.868 -10.270 -13.509 1.00 0.00 H new ATOM 0 HG21 THR A 12 -1.585 -10.737 -11.660 1.00 0.00 H new ATOM 0 HG22 THR A 12 -2.320 -10.514 -10.055 1.00 0.00 H new ATOM 0 HG23 THR A 12 -2.849 -11.855 -11.098 1.00 0.00 H new ATOM 187 N ASP A 13 -5.012 -12.325 -11.590 1.00 0.00 N ATOM 188 CA ASP A 13 -5.317 -13.737 -11.407 1.00 0.00 C ATOM 189 C ASP A 13 -4.130 -14.476 -10.807 1.00 0.00 C ATOM 190 O ASP A 13 -4.285 -15.329 -9.936 1.00 0.00 O ATOM 191 CB ASP A 13 -5.696 -14.366 -12.742 1.00 0.00 C ATOM 192 CG ASP A 13 -6.921 -13.723 -13.364 1.00 0.00 C ATOM 193 OD1 ASP A 13 -7.949 -13.604 -12.664 1.00 0.00 O ATOM 194 OD2 ASP A 13 -6.849 -13.331 -14.548 1.00 0.00 O ATOM 0 H ASP A 13 -4.580 -12.099 -12.486 1.00 0.00 H new ATOM 0 HA ASP A 13 -6.158 -13.818 -10.718 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -4.856 -14.280 -13.431 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -5.883 -15.430 -12.598 1.00 0.00 H new ATOM 199 N ALA A 14 -2.946 -14.150 -11.302 1.00 0.00 N ATOM 200 CA ALA A 14 -1.720 -14.788 -10.847 1.00 0.00 C ATOM 201 C ALA A 14 -1.483 -14.550 -9.368 1.00 0.00 C ATOM 202 O ALA A 14 -1.088 -15.463 -8.643 1.00 0.00 O ATOM 203 CB ALA A 14 -0.538 -14.302 -11.666 1.00 0.00 C ATOM 0 H ALA A 14 -2.808 -13.443 -12.024 1.00 0.00 H new ATOM 0 HA ALA A 14 -1.828 -15.863 -10.991 1.00 0.00 H new ATOM 0 HB1 ALA A 14 0.372 -14.788 -11.315 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -0.698 -14.547 -12.716 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -0.439 -13.222 -11.556 1.00 0.00 H new ATOM 209 N ALA A 15 -1.739 -13.330 -8.904 1.00 0.00 N ATOM 210 CA ALA A 15 -1.559 -13.024 -7.494 1.00 0.00 C ATOM 211 C ALA A 15 -2.314 -14.055 -6.670 1.00 0.00 C ATOM 212 O ALA A 15 -1.868 -14.470 -5.599 1.00 0.00 O ATOM 213 CB ALA A 15 -2.018 -11.607 -7.179 1.00 0.00 C ATOM 0 H ALA A 15 -2.066 -12.551 -9.475 1.00 0.00 H new ATOM 0 HA ALA A 15 -0.500 -13.073 -7.240 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -1.872 -11.405 -6.118 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -1.436 -10.897 -7.767 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -3.075 -11.503 -7.426 1.00 0.00 H new ATOM 219 N ALA A 16 -3.436 -14.510 -7.221 1.00 0.00 N ATOM 220 CA ALA A 16 -4.232 -15.544 -6.584 1.00 0.00 C ATOM 221 C ALA A 16 -3.488 -16.858 -6.670 1.00 0.00 C ATOM 222 O ALA A 16 -3.429 -17.629 -5.713 1.00 0.00 O ATOM 223 CB ALA A 16 -5.568 -15.681 -7.282 1.00 0.00 C ATOM 0 H ALA A 16 -3.811 -14.176 -8.109 1.00 0.00 H new ATOM 0 HA ALA A 16 -4.403 -15.275 -5.542 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -6.155 -16.459 -6.795 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -6.105 -14.734 -7.228 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -5.407 -15.948 -8.326 1.00 0.00 H new ATOM 229 N ASN A 17 -2.929 -17.091 -7.848 1.00 0.00 N ATOM 230 CA ASN A 17 -2.187 -18.305 -8.132 1.00 0.00 C ATOM 231 C ASN A 17 -1.051 -18.513 -7.137 1.00 0.00 C ATOM 232 O ASN A 17 -0.896 -19.595 -6.580 1.00 0.00 O ATOM 233 CB ASN A 17 -1.629 -18.257 -9.556 1.00 0.00 C ATOM 234 CG ASN A 17 -2.667 -18.567 -10.609 1.00 0.00 C ATOM 235 OD1 ASN A 17 -2.576 -19.580 -11.316 1.00 0.00 O ATOM 236 ND2 ASN A 17 -3.665 -17.702 -10.726 1.00 0.00 N ATOM 0 H ASN A 17 -2.978 -16.442 -8.633 1.00 0.00 H new ATOM 0 HA ASN A 17 -2.875 -19.146 -8.038 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -1.214 -17.267 -9.744 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -0.808 -18.969 -9.643 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -4.397 -17.858 -11.419 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -3.701 -16.880 -10.123 1.00 0.00 H new ATOM 243 N LYS A 18 -0.250 -17.466 -6.907 1.00 0.00 N ATOM 244 CA LYS A 18 0.862 -17.573 -5.980 1.00 0.00 C ATOM 245 C LYS A 18 0.366 -17.981 -4.599 1.00 0.00 C ATOM 246 O LYS A 18 1.081 -18.630 -3.838 1.00 0.00 O ATOM 247 CB LYS A 18 1.637 -16.249 -5.920 1.00 0.00 C ATOM 248 CG LYS A 18 0.972 -15.161 -5.086 1.00 0.00 C ATOM 249 CD LYS A 18 1.932 -14.600 -4.050 1.00 0.00 C ATOM 250 CE LYS A 18 1.203 -13.807 -2.977 1.00 0.00 C ATOM 251 NZ LYS A 18 1.884 -13.899 -1.655 1.00 0.00 N ATOM 0 H LYS A 18 -0.355 -16.552 -7.347 1.00 0.00 H new ATOM 0 HA LYS A 18 1.542 -18.347 -6.336 1.00 0.00 H new ATOM 0 HB2 LYS A 18 2.630 -16.443 -5.515 1.00 0.00 H new ATOM 0 HB3 LYS A 18 1.774 -15.877 -6.935 1.00 0.00 H new ATOM 0 HG2 LYS A 18 0.627 -14.359 -5.738 1.00 0.00 H new ATOM 0 HG3 LYS A 18 0.092 -15.568 -4.588 1.00 0.00 H new ATOM 0 HD2 LYS A 18 2.484 -15.417 -3.586 1.00 0.00 H new ATOM 0 HD3 LYS A 18 2.664 -13.959 -4.542 1.00 0.00 H new ATOM 0 HE2 LYS A 18 1.139 -12.762 -3.280 1.00 0.00 H new ATOM 0 HE3 LYS A 18 0.181 -14.176 -2.885 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 1.208 -13.666 -0.899 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 2.241 -14.866 -1.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 2.679 -13.229 -1.627 1.00 0.00 H new ATOM 265 N VAL A 19 -0.874 -17.608 -4.293 1.00 0.00 N ATOM 266 CA VAL A 19 -1.480 -17.943 -3.018 1.00 0.00 C ATOM 267 C VAL A 19 -1.961 -19.379 -3.017 1.00 0.00 C ATOM 268 O VAL A 19 -1.399 -20.235 -2.341 1.00 0.00 O ATOM 269 CB VAL A 19 -2.668 -17.010 -2.708 1.00 0.00 C ATOM 270 CG1 VAL A 19 -3.295 -17.353 -1.364 1.00 0.00 C ATOM 271 CG2 VAL A 19 -2.226 -15.555 -2.750 1.00 0.00 C ATOM 0 H VAL A 19 -1.477 -17.072 -4.917 1.00 0.00 H new ATOM 0 HA VAL A 19 -0.718 -17.815 -2.249 1.00 0.00 H new ATOM 0 HB VAL A 19 -3.429 -17.158 -3.475 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -4.130 -16.680 -1.170 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -3.654 -18.382 -1.382 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -2.550 -17.243 -0.576 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -3.076 -14.910 -2.529 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -1.444 -15.391 -2.009 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -1.841 -15.320 -3.742 1.00 0.00 H new ATOM 281 N LYS A 20 -3.005 -19.644 -3.802 1.00 0.00 N ATOM 282 CA LYS A 20 -3.585 -20.976 -3.917 1.00 0.00 C ATOM 283 C LYS A 20 -2.546 -22.028 -4.283 1.00 0.00 C ATOM 284 O LYS A 20 -2.782 -23.227 -4.115 1.00 0.00 O ATOM 285 CB LYS A 20 -4.683 -20.989 -4.979 1.00 0.00 C ATOM 286 CG LYS A 20 -4.375 -20.135 -6.199 1.00 0.00 C ATOM 287 CD LYS A 20 -4.642 -20.890 -7.494 1.00 0.00 C ATOM 288 CE LYS A 20 -6.051 -21.461 -7.528 1.00 0.00 C ATOM 289 NZ LYS A 20 -6.147 -22.644 -8.424 1.00 0.00 N ATOM 0 H LYS A 20 -3.470 -18.940 -4.375 1.00 0.00 H new ATOM 0 HA LYS A 20 -3.998 -21.221 -2.938 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -4.850 -22.017 -5.301 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -5.613 -20.640 -4.530 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -4.982 -19.230 -6.173 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -3.332 -19.820 -6.169 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -4.499 -20.221 -8.342 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -3.918 -21.698 -7.601 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -6.353 -21.744 -6.519 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -6.746 -20.692 -7.865 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -7.123 -23.004 -8.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -5.883 -22.369 -9.392 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -5.502 -23.387 -8.088 1.00 0.00 H new ATOM 303 N SER A 21 -1.417 -21.588 -4.823 1.00 0.00 N ATOM 304 CA SER A 21 -0.381 -22.517 -5.254 1.00 0.00 C ATOM 305 C SER A 21 0.590 -22.866 -4.131 1.00 0.00 C ATOM 306 O SER A 21 0.940 -24.035 -3.956 1.00 0.00 O ATOM 307 CB SER A 21 0.391 -21.940 -6.441 1.00 0.00 C ATOM 308 OG SER A 21 1.372 -22.849 -6.901 1.00 0.00 O ATOM 0 H SER A 21 -1.196 -20.603 -4.972 1.00 0.00 H new ATOM 0 HA SER A 21 -0.884 -23.436 -5.553 1.00 0.00 H new ATOM 0 HB2 SER A 21 -0.301 -21.707 -7.250 1.00 0.00 H new ATOM 0 HB3 SER A 21 0.867 -21.004 -6.149 1.00 0.00 H new ATOM 0 HG SER A 21 1.850 -22.457 -7.661 1.00 0.00 H new ATOM 314 N LEU A 22 1.034 -21.869 -3.379 1.00 0.00 N ATOM 315 CA LEU A 22 1.972 -22.124 -2.297 1.00 0.00 C ATOM 316 C LEU A 22 1.233 -22.570 -1.045 1.00 0.00 C ATOM 317 O LEU A 22 1.787 -23.277 -0.216 1.00 0.00 O ATOM 318 CB LEU A 22 2.869 -20.895 -2.048 1.00 0.00 C ATOM 319 CG LEU A 22 2.538 -20.012 -0.835 1.00 0.00 C ATOM 320 CD1 LEU A 22 1.173 -19.380 -0.997 1.00 0.00 C ATOM 321 CD2 LEU A 22 2.625 -20.793 0.465 1.00 0.00 C ATOM 0 H LEU A 22 0.765 -20.892 -3.495 1.00 0.00 H new ATOM 0 HA LEU A 22 2.633 -22.941 -2.587 1.00 0.00 H new ATOM 0 HB2 LEU A 22 3.896 -21.244 -1.940 1.00 0.00 H new ATOM 0 HB3 LEU A 22 2.837 -20.269 -2.939 1.00 0.00 H new ATOM 0 HG LEU A 22 3.283 -19.218 -0.787 1.00 0.00 H new ATOM 0 HD11 LEU A 22 0.955 -18.758 -0.129 1.00 0.00 H new ATOM 0 HD12 LEU A 22 1.161 -18.765 -1.897 1.00 0.00 H new ATOM 0 HD13 LEU A 22 0.418 -20.162 -1.082 1.00 0.00 H new ATOM 0 HD21 LEU A 22 2.385 -20.136 1.301 1.00 0.00 H new ATOM 0 HD22 LEU A 22 1.917 -21.622 0.440 1.00 0.00 H new ATOM 0 HD23 LEU A 22 3.636 -21.182 0.589 1.00 0.00 H new ATOM 333 N ILE A 23 -0.028 -22.173 -0.923 1.00 0.00 N ATOM 334 CA ILE A 23 -0.822 -22.552 0.222 1.00 0.00 C ATOM 335 C ILE A 23 -1.201 -24.014 0.115 1.00 0.00 C ATOM 336 O ILE A 23 -1.006 -24.794 1.047 1.00 0.00 O ATOM 337 CB ILE A 23 -2.082 -21.701 0.345 1.00 0.00 C ATOM 338 CG1 ILE A 23 -2.907 -21.783 -0.924 1.00 0.00 C ATOM 339 CG2 ILE A 23 -1.710 -20.263 0.624 1.00 0.00 C ATOM 340 CD1 ILE A 23 -4.026 -22.802 -0.859 1.00 0.00 C ATOM 0 H ILE A 23 -0.515 -21.591 -1.605 1.00 0.00 H new ATOM 0 HA ILE A 23 -0.221 -22.386 1.116 1.00 0.00 H new ATOM 0 HB ILE A 23 -2.678 -22.084 1.173 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -3.333 -20.802 -1.134 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -2.250 -22.030 -1.758 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -2.616 -19.663 0.710 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -1.148 -20.207 1.556 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -1.098 -19.881 -0.193 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -4.572 -22.804 -1.802 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -3.607 -23.792 -0.681 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -4.706 -22.545 -0.047 1.00 0.00 H new ATOM 352 N SER A 24 -1.704 -24.396 -1.057 1.00 0.00 N ATOM 353 CA SER A 24 -2.063 -25.776 -1.310 1.00 0.00 C ATOM 354 C SER A 24 -0.835 -26.652 -1.137 1.00 0.00 C ATOM 355 O SER A 24 -0.933 -27.846 -0.860 1.00 0.00 O ATOM 356 CB SER A 24 -2.612 -25.931 -2.719 1.00 0.00 C ATOM 357 OG SER A 24 -4.008 -25.690 -2.755 1.00 0.00 O ATOM 0 H SER A 24 -1.869 -23.765 -1.841 1.00 0.00 H new ATOM 0 HA SER A 24 -2.834 -26.080 -0.602 1.00 0.00 H new ATOM 0 HB2 SER A 24 -2.103 -25.237 -3.389 1.00 0.00 H new ATOM 0 HB3 SER A 24 -2.404 -26.937 -3.084 1.00 0.00 H new ATOM 0 HG SER A 24 -4.181 -24.836 -3.204 1.00 0.00 H new ATOM 363 N GLU A 25 0.331 -26.026 -1.286 1.00 0.00 N ATOM 364 CA GLU A 25 1.599 -26.711 -1.131 1.00 0.00 C ATOM 365 C GLU A 25 1.963 -26.831 0.341 1.00 0.00 C ATOM 366 O GLU A 25 2.768 -27.672 0.723 1.00 0.00 O ATOM 367 CB GLU A 25 2.700 -25.974 -1.894 1.00 0.00 C ATOM 368 CG GLU A 25 3.439 -26.839 -2.895 1.00 0.00 C ATOM 369 CD GLU A 25 4.719 -26.200 -3.395 1.00 0.00 C ATOM 370 OE1 GLU A 25 4.777 -24.949 -3.452 1.00 0.00 O ATOM 371 OE2 GLU A 25 5.667 -26.943 -3.719 1.00 0.00 O ATOM 0 H GLU A 25 0.416 -25.036 -1.516 1.00 0.00 H new ATOM 0 HA GLU A 25 1.502 -27.714 -1.546 1.00 0.00 H new ATOM 0 HB2 GLU A 25 2.260 -25.125 -2.417 1.00 0.00 H new ATOM 0 HB3 GLU A 25 3.417 -25.571 -1.179 1.00 0.00 H new ATOM 0 HG2 GLU A 25 3.674 -27.799 -2.435 1.00 0.00 H new ATOM 0 HG3 GLU A 25 2.786 -27.044 -3.743 1.00 0.00 H new ATOM 378 N GLU A 26 1.350 -25.981 1.172 1.00 0.00 N ATOM 379 CA GLU A 26 1.608 -26.022 2.601 1.00 0.00 C ATOM 380 C GLU A 26 0.799 -27.125 3.245 1.00 0.00 C ATOM 381 O GLU A 26 1.084 -27.551 4.364 1.00 0.00 O ATOM 382 CB GLU A 26 1.274 -24.676 3.240 1.00 0.00 C ATOM 383 CG GLU A 26 2.106 -23.532 2.697 1.00 0.00 C ATOM 384 CD GLU A 26 3.216 -23.120 3.641 1.00 0.00 C ATOM 385 OE1 GLU A 26 3.070 -23.341 4.867 1.00 0.00 O ATOM 386 OE2 GLU A 26 4.237 -22.584 3.162 1.00 0.00 O ATOM 0 H GLU A 26 0.682 -25.268 0.878 1.00 0.00 H new ATOM 0 HA GLU A 26 2.667 -26.227 2.759 1.00 0.00 H new ATOM 0 HB2 GLU A 26 0.218 -24.457 3.079 1.00 0.00 H new ATOM 0 HB3 GLU A 26 1.424 -24.746 4.317 1.00 0.00 H new ATOM 0 HG2 GLU A 26 2.538 -23.824 1.740 1.00 0.00 H new ATOM 0 HG3 GLU A 26 1.459 -22.676 2.507 1.00 0.00 H new ATOM 393 N GLU A 27 -0.235 -27.579 2.529 1.00 0.00 N ATOM 394 CA GLU A 27 -1.116 -28.622 3.026 1.00 0.00 C ATOM 395 C GLU A 27 -2.133 -28.014 3.983 1.00 0.00 C ATOM 396 O GLU A 27 -2.855 -28.736 4.671 1.00 0.00 O ATOM 397 CB GLU A 27 -0.327 -29.725 3.732 1.00 0.00 C ATOM 398 CG GLU A 27 -1.060 -31.061 3.793 1.00 0.00 C ATOM 399 CD GLU A 27 -0.121 -32.247 3.833 1.00 0.00 C ATOM 400 OE1 GLU A 27 0.578 -32.490 2.828 1.00 0.00 O ATOM 401 OE2 GLU A 27 -0.081 -32.931 4.874 1.00 0.00 O ATOM 0 H GLU A 27 -0.477 -27.234 1.600 1.00 0.00 H new ATOM 0 HA GLU A 27 -1.632 -29.071 2.177 1.00 0.00 H new ATOM 0 HB2 GLU A 27 0.624 -29.866 3.218 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -0.095 -29.401 4.747 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -1.698 -31.079 4.676 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -1.714 -31.151 2.926 1.00 0.00 H new ATOM 408 N ASN A 28 -2.199 -26.682 4.007 1.00 0.00 N ATOM 409 CA ASN A 28 -3.151 -26.000 4.871 1.00 0.00 C ATOM 410 C ASN A 28 -4.548 -26.485 4.570 1.00 0.00 C ATOM 411 O ASN A 28 -5.156 -27.201 5.375 1.00 0.00 O ATOM 412 CB ASN A 28 -3.120 -24.481 4.700 1.00 0.00 C ATOM 413 CG ASN A 28 -1.795 -23.941 4.224 1.00 0.00 C ATOM 414 OD1 ASN A 28 -1.765 -23.480 2.985 1.00 0.00 O flip ATOM 415 ND2 ASN A 28 -0.811 -23.938 4.961 1.00 0.00 N flip ATOM 0 H ASN A 28 -1.612 -26.065 3.445 1.00 0.00 H new ATOM 0 HA ASN A 28 -2.866 -26.231 5.897 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -3.895 -24.190 3.990 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -3.369 -24.014 5.653 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -0.883 -24.305 5.910 1.00 0.00 H new ATOM 0 HD22 ASN A 28 0.078 -23.569 4.623 1.00 0.00 H new ATOM 422 N THR A 29 -5.051 -26.092 3.402 1.00 0.00 N ATOM 423 CA THR A 29 -6.403 -26.481 2.980 1.00 0.00 C ATOM 424 C THR A 29 -6.971 -25.548 1.900 1.00 0.00 C ATOM 425 O THR A 29 -7.544 -26.012 0.916 1.00 0.00 O ATOM 426 CB THR A 29 -7.351 -26.447 4.184 1.00 0.00 C ATOM 427 OG1 THR A 29 -8.706 -26.403 3.760 1.00 0.00 O ATOM 428 CG2 THR A 29 -7.104 -25.248 5.087 1.00 0.00 C ATOM 0 H THR A 29 -4.550 -25.508 2.732 1.00 0.00 H new ATOM 0 HA THR A 29 -6.327 -27.486 2.565 1.00 0.00 H new ATOM 0 HB THR A 29 -7.153 -27.360 4.746 1.00 0.00 H new ATOM 0 HG1 THR A 29 -9.294 -26.383 4.544 1.00 0.00 H new ATOM 0 HG21 THR A 29 -7.802 -25.273 5.924 1.00 0.00 H new ATOM 0 HG22 THR A 29 -6.082 -25.282 5.466 1.00 0.00 H new ATOM 0 HG23 THR A 29 -7.250 -24.329 4.520 1.00 0.00 H new ATOM 436 N ASP A 30 -6.835 -24.243 2.118 1.00 0.00 N ATOM 437 CA ASP A 30 -7.360 -23.250 1.198 1.00 0.00 C ATOM 438 C ASP A 30 -7.175 -21.872 1.811 1.00 0.00 C ATOM 439 O ASP A 30 -8.133 -21.195 2.188 1.00 0.00 O ATOM 440 CB ASP A 30 -8.841 -23.504 0.908 1.00 0.00 C ATOM 441 CG ASP A 30 -9.059 -24.139 -0.449 1.00 0.00 C ATOM 442 OD1 ASP A 30 -8.818 -23.459 -1.469 1.00 0.00 O ATOM 443 OD2 ASP A 30 -9.472 -25.318 -0.493 1.00 0.00 O ATOM 0 H ASP A 30 -6.361 -23.851 2.932 1.00 0.00 H new ATOM 0 HA ASP A 30 -6.820 -23.314 0.253 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -9.255 -24.152 1.681 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -9.386 -22.561 0.957 1.00 0.00 H new ATOM 448 N LEU A 31 -5.920 -21.497 1.939 1.00 0.00 N ATOM 449 CA LEU A 31 -5.529 -20.250 2.532 1.00 0.00 C ATOM 450 C LEU A 31 -6.110 -19.042 1.817 1.00 0.00 C ATOM 451 O LEU A 31 -6.425 -19.088 0.630 1.00 0.00 O ATOM 452 CB LEU A 31 -4.011 -20.172 2.518 1.00 0.00 C ATOM 453 CG LEU A 31 -3.358 -20.147 3.884 1.00 0.00 C ATOM 454 CD1 LEU A 31 -3.973 -19.060 4.730 1.00 0.00 C ATOM 455 CD2 LEU A 31 -3.502 -21.498 4.569 1.00 0.00 C ATOM 0 H LEU A 31 -5.133 -22.066 1.626 1.00 0.00 H new ATOM 0 HA LEU A 31 -5.920 -20.224 3.549 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -3.624 -21.026 1.962 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -3.713 -19.276 1.973 1.00 0.00 H new ATOM 0 HG LEU A 31 -2.295 -19.938 3.760 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.497 -19.049 5.711 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -3.827 -18.095 4.245 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -5.040 -19.249 4.846 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.027 -21.461 5.549 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.559 -21.735 4.687 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -3.023 -22.266 3.962 1.00 0.00 H new ATOM 467 N LYS A 32 -6.222 -17.958 2.570 1.00 0.00 N ATOM 468 CA LYS A 32 -6.737 -16.698 2.060 1.00 0.00 C ATOM 469 C LYS A 32 -5.659 -15.627 2.176 1.00 0.00 C ATOM 470 O LYS A 32 -5.116 -15.400 3.257 1.00 0.00 O ATOM 471 CB LYS A 32 -7.984 -16.284 2.846 1.00 0.00 C ATOM 472 CG LYS A 32 -8.972 -17.419 3.060 1.00 0.00 C ATOM 473 CD LYS A 32 -10.001 -17.069 4.122 1.00 0.00 C ATOM 474 CE LYS A 32 -10.807 -15.841 3.730 1.00 0.00 C ATOM 475 NZ LYS A 32 -11.605 -15.314 4.874 1.00 0.00 N ATOM 0 H LYS A 32 -5.957 -17.928 3.555 1.00 0.00 H new ATOM 0 HA LYS A 32 -7.012 -16.817 1.012 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -7.678 -15.892 3.816 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -8.484 -15.473 2.317 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -9.478 -17.644 2.121 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -8.434 -18.320 3.356 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -10.673 -17.914 4.272 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -9.498 -16.888 5.072 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -10.133 -15.064 3.368 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -11.475 -16.092 2.906 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -12.141 -14.477 4.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -12.266 -16.047 5.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -10.966 -15.050 5.651 1.00 0.00 H new ATOM 489 N LEU A 33 -5.338 -14.981 1.063 1.00 0.00 N ATOM 490 CA LEU A 33 -4.313 -13.953 1.054 1.00 0.00 C ATOM 491 C LEU A 33 -4.668 -12.816 2.006 1.00 0.00 C ATOM 492 O LEU A 33 -5.840 -12.490 2.191 1.00 0.00 O ATOM 493 CB LEU A 33 -4.135 -13.422 -0.370 1.00 0.00 C ATOM 494 CG LEU A 33 -2.833 -12.668 -0.642 1.00 0.00 C ATOM 495 CD1 LEU A 33 -2.889 -11.268 -0.047 1.00 0.00 C ATOM 496 CD2 LEU A 33 -1.635 -13.437 -0.101 1.00 0.00 C ATOM 0 H LEU A 33 -5.774 -15.152 0.157 1.00 0.00 H new ATOM 0 HA LEU A 33 -3.375 -14.391 1.396 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -4.197 -14.263 -1.061 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -4.970 -12.760 -0.598 1.00 0.00 H new ATOM 0 HG LEU A 33 -2.714 -12.576 -1.722 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -1.953 -10.748 -0.251 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -3.716 -10.716 -0.493 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -3.038 -11.336 1.031 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -0.721 -12.879 -0.307 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -1.744 -13.570 0.975 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -1.581 -14.413 -0.583 1.00 0.00 H new ATOM 508 N ARG A 34 -3.643 -12.209 2.599 1.00 0.00 N ATOM 509 CA ARG A 34 -3.841 -11.098 3.521 1.00 0.00 C ATOM 510 C ARG A 34 -2.748 -10.057 3.331 1.00 0.00 C ATOM 511 O ARG A 34 -1.644 -10.187 3.860 1.00 0.00 O ATOM 512 CB ARG A 34 -3.869 -11.592 4.965 1.00 0.00 C ATOM 513 CG ARG A 34 -4.296 -10.536 5.975 1.00 0.00 C ATOM 514 CD ARG A 34 -3.187 -9.531 6.242 1.00 0.00 C ATOM 515 NE ARG A 34 -3.174 -9.097 7.638 1.00 0.00 N ATOM 516 CZ ARG A 34 -2.708 -7.918 8.047 1.00 0.00 C ATOM 517 NH1 ARG A 34 -2.207 -7.052 7.175 1.00 0.00 N ATOM 518 NH2 ARG A 34 -2.743 -7.605 9.335 1.00 0.00 N ATOM 0 H ARG A 34 -2.667 -12.469 2.456 1.00 0.00 H new ATOM 0 HA ARG A 34 -4.804 -10.635 3.304 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -4.549 -12.441 5.034 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -2.877 -11.955 5.233 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -5.178 -10.014 5.605 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -4.581 -11.020 6.909 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -2.224 -9.976 5.991 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -3.317 -8.665 5.593 1.00 0.00 H new ATOM 0 HE ARG A 34 -3.544 -9.736 8.342 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -2.177 -7.287 6.183 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -1.852 -6.151 7.497 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -3.126 -8.266 10.010 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -2.387 -6.703 9.650 1.00 0.00 H new ATOM 532 N VAL A 35 -3.059 -9.040 2.545 1.00 0.00 N ATOM 533 CA VAL A 35 -2.109 -7.981 2.242 1.00 0.00 C ATOM 534 C VAL A 35 -1.870 -7.042 3.412 1.00 0.00 C ATOM 535 O VAL A 35 -2.710 -6.888 4.299 1.00 0.00 O ATOM 536 CB VAL A 35 -2.587 -7.133 1.057 1.00 0.00 C ATOM 537 CG1 VAL A 35 -1.469 -6.240 0.549 1.00 0.00 C ATOM 538 CG2 VAL A 35 -3.116 -8.017 -0.049 1.00 0.00 C ATOM 0 H VAL A 35 -3.970 -8.925 2.101 1.00 0.00 H new ATOM 0 HA VAL A 35 -1.176 -8.493 2.004 1.00 0.00 H new ATOM 0 HB VAL A 35 -3.400 -6.493 1.399 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -1.830 -5.647 -0.292 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -1.143 -5.575 1.349 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -0.630 -6.856 0.225 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -3.451 -7.398 -0.881 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -2.326 -8.686 -0.389 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -3.954 -8.606 0.325 1.00 0.00 H new ATOM 548 N TYR A 36 -0.714 -6.398 3.370 1.00 0.00 N ATOM 549 CA TYR A 36 -0.313 -5.429 4.378 1.00 0.00 C ATOM 550 C TYR A 36 0.513 -4.337 3.715 1.00 0.00 C ATOM 551 O TYR A 36 0.779 -4.399 2.515 1.00 0.00 O ATOM 552 CB TYR A 36 0.493 -6.096 5.497 1.00 0.00 C ATOM 553 CG TYR A 36 1.195 -7.364 5.070 1.00 0.00 C ATOM 554 CD1 TYR A 36 0.473 -8.523 4.817 1.00 0.00 C ATOM 555 CD2 TYR A 36 2.574 -7.401 4.918 1.00 0.00 C ATOM 556 CE1 TYR A 36 1.107 -9.685 4.423 1.00 0.00 C ATOM 557 CE2 TYR A 36 3.217 -8.559 4.524 1.00 0.00 C ATOM 558 CZ TYR A 36 2.479 -9.699 4.278 1.00 0.00 C ATOM 559 OH TYR A 36 3.114 -10.854 3.885 1.00 0.00 O ATOM 0 H TYR A 36 -0.024 -6.534 2.631 1.00 0.00 H new ATOM 0 HA TYR A 36 -1.207 -4.997 4.827 1.00 0.00 H new ATOM 0 HB2 TYR A 36 1.234 -5.389 5.869 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -0.175 -6.324 6.327 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -0.601 -8.516 4.930 1.00 0.00 H new ATOM 0 HD2 TYR A 36 3.154 -6.511 5.111 1.00 0.00 H new ATOM 0 HE1 TYR A 36 0.532 -10.578 4.229 1.00 0.00 H new ATOM 0 HE2 TYR A 36 4.291 -8.572 4.409 1.00 0.00 H new ATOM 0 HH TYR A 36 4.079 -10.694 3.830 1.00 0.00 H new ATOM 569 N ILE A 37 0.922 -3.342 4.485 1.00 0.00 N ATOM 570 CA ILE A 37 1.719 -2.255 3.938 1.00 0.00 C ATOM 571 C ILE A 37 3.205 -2.602 3.984 1.00 0.00 C ATOM 572 O ILE A 37 3.813 -2.644 5.054 1.00 0.00 O ATOM 573 CB ILE A 37 1.455 -0.933 4.686 1.00 0.00 C ATOM 574 CG1 ILE A 37 0.080 -0.379 4.307 1.00 0.00 C ATOM 575 CG2 ILE A 37 2.533 0.089 4.371 1.00 0.00 C ATOM 576 CD1 ILE A 37 -0.057 -0.075 2.832 1.00 0.00 C ATOM 0 H ILE A 37 0.718 -3.264 5.481 1.00 0.00 H new ATOM 0 HA ILE A 37 1.422 -2.118 2.898 1.00 0.00 H new ATOM 0 HB ILE A 37 1.475 -1.135 5.757 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -0.686 -1.099 4.595 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -0.107 0.531 4.877 1.00 0.00 H new ATOM 0 HG21 ILE A 37 2.326 1.014 4.910 1.00 0.00 H new ATOM 0 HG22 ILE A 37 3.504 -0.300 4.678 1.00 0.00 H new ATOM 0 HG23 ILE A 37 2.544 0.288 3.299 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -1.055 0.314 2.632 1.00 0.00 H new ATOM 0 HD12 ILE A 37 0.687 0.668 2.543 1.00 0.00 H new ATOM 0 HD13 ILE A 37 0.099 -0.987 2.256 1.00 0.00 H new ATOM 672 N GLN A 46 3.241 -1.763 -3.717 1.00 0.00 N ATOM 673 CA GLN A 46 3.656 -3.144 -3.515 1.00 0.00 C ATOM 674 C GLN A 46 2.730 -3.872 -2.549 1.00 0.00 C ATOM 675 O GLN A 46 1.876 -4.646 -2.970 1.00 0.00 O ATOM 676 CB GLN A 46 5.096 -3.185 -3.018 1.00 0.00 C ATOM 677 CG GLN A 46 6.023 -2.293 -3.822 1.00 0.00 C ATOM 678 CD GLN A 46 7.444 -2.337 -3.316 1.00 0.00 C ATOM 679 OE1 GLN A 46 7.982 -1.338 -2.840 1.00 0.00 O ATOM 680 NE2 GLN A 46 8.059 -3.504 -3.415 1.00 0.00 N ATOM 0 HA GLN A 46 3.595 -3.661 -4.473 1.00 0.00 H new ATOM 0 HB2 GLN A 46 5.123 -2.880 -1.972 1.00 0.00 H new ATOM 0 HB3 GLN A 46 5.461 -4.211 -3.060 1.00 0.00 H new ATOM 0 HG2 GLN A 46 6.003 -2.601 -4.868 1.00 0.00 H new ATOM 0 HG3 GLN A 46 5.658 -1.267 -3.785 1.00 0.00 H new ATOM 0 HE21 GLN A 46 7.572 -4.305 -3.817 1.00 0.00 H new ATOM 0 HE22 GLN A 46 9.020 -3.603 -3.089 1.00 0.00 H new ATOM 689 N TYR A 47 2.901 -3.627 -1.254 1.00 0.00 N ATOM 690 CA TYR A 47 2.071 -4.273 -0.241 1.00 0.00 C ATOM 691 C TYR A 47 2.451 -5.740 -0.086 1.00 0.00 C ATOM 692 O TYR A 47 2.385 -6.516 -1.039 1.00 0.00 O ATOM 693 CB TYR A 47 0.592 -4.146 -0.602 1.00 0.00 C ATOM 694 CG TYR A 47 0.209 -2.774 -1.104 1.00 0.00 C ATOM 695 CD1 TYR A 47 0.130 -1.695 -0.234 1.00 0.00 C ATOM 696 CD2 TYR A 47 -0.073 -2.559 -2.446 1.00 0.00 C ATOM 697 CE1 TYR A 47 -0.221 -0.439 -0.686 1.00 0.00 C ATOM 698 CE2 TYR A 47 -0.424 -1.305 -2.908 1.00 0.00 C ATOM 699 CZ TYR A 47 -0.498 -0.249 -2.023 1.00 0.00 C ATOM 700 OH TYR A 47 -0.849 1.001 -2.478 1.00 0.00 O ATOM 0 H TYR A 47 3.604 -2.989 -0.881 1.00 0.00 H new ATOM 0 HA TYR A 47 2.244 -3.770 0.711 1.00 0.00 H new ATOM 0 HB2 TYR A 47 0.348 -4.885 -1.366 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -0.010 -4.384 0.275 1.00 0.00 H new ATOM 0 HD1 TYR A 47 0.347 -1.841 0.814 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -0.017 -3.385 -3.140 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -0.278 0.390 0.004 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -0.639 -1.152 -3.955 1.00 0.00 H new ATOM 0 HH TYR A 47 -1.010 0.964 -3.444 1.00 0.00 H new ATOM 710 N GLY A 48 2.857 -6.109 1.124 1.00 0.00 N ATOM 711 CA GLY A 48 3.252 -7.482 1.392 1.00 0.00 C ATOM 712 C GLY A 48 2.072 -8.426 1.506 1.00 0.00 C ATOM 713 O GLY A 48 1.099 -8.134 2.202 1.00 0.00 O ATOM 0 H GLY A 48 2.920 -5.482 1.926 1.00 0.00 H new ATOM 0 HA2 GLY A 48 3.911 -7.827 0.595 1.00 0.00 H new ATOM 0 HA3 GLY A 48 3.827 -7.515 2.317 1.00 0.00 H new ATOM 717 N PHE A 49 2.152 -9.553 0.806 1.00 0.00 N ATOM 718 CA PHE A 49 1.084 -10.543 0.813 1.00 0.00 C ATOM 719 C PHE A 49 1.421 -11.759 1.671 1.00 0.00 C ATOM 720 O PHE A 49 2.505 -12.332 1.563 1.00 0.00 O ATOM 721 CB PHE A 49 0.809 -11.013 -0.612 1.00 0.00 C ATOM 722 CG PHE A 49 -0.111 -10.112 -1.368 1.00 0.00 C ATOM 723 CD1 PHE A 49 -0.017 -8.739 -1.234 1.00 0.00 C ATOM 724 CD2 PHE A 49 -1.073 -10.639 -2.207 1.00 0.00 C ATOM 725 CE1 PHE A 49 -0.868 -7.905 -1.922 1.00 0.00 C ATOM 726 CE2 PHE A 49 -1.932 -9.814 -2.901 1.00 0.00 C ATOM 727 CZ PHE A 49 -1.832 -8.443 -2.757 1.00 0.00 C ATOM 0 H PHE A 49 2.951 -9.803 0.224 1.00 0.00 H new ATOM 0 HA PHE A 49 0.205 -10.060 1.241 1.00 0.00 H new ATOM 0 HB2 PHE A 49 1.754 -11.089 -1.150 1.00 0.00 H new ATOM 0 HB3 PHE A 49 0.379 -12.014 -0.580 1.00 0.00 H new ATOM 0 HD1 PHE A 49 0.733 -8.316 -0.582 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -1.153 -11.710 -2.321 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -0.784 -6.834 -1.811 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -2.680 -10.237 -3.555 1.00 0.00 H new ATOM 0 HZ PHE A 49 -2.505 -7.792 -3.295 1.00 0.00 H new ATOM 737 N THR A 50 0.459 -12.166 2.490 1.00 0.00 N ATOM 738 CA THR A 50 0.615 -13.344 3.340 1.00 0.00 C ATOM 739 C THR A 50 -0.582 -14.270 3.144 1.00 0.00 C ATOM 740 O THR A 50 -1.580 -13.879 2.544 1.00 0.00 O ATOM 741 CB THR A 50 0.743 -12.957 4.814 1.00 0.00 C ATOM 742 OG1 THR A 50 1.281 -14.025 5.567 1.00 0.00 O ATOM 743 CG2 THR A 50 -0.578 -12.576 5.440 1.00 0.00 C ATOM 0 H THR A 50 -0.442 -11.697 2.585 1.00 0.00 H new ATOM 0 HA THR A 50 1.532 -13.858 3.052 1.00 0.00 H new ATOM 0 HB THR A 50 1.404 -12.091 4.833 1.00 0.00 H new ATOM 0 HG1 THR A 50 1.357 -13.757 6.507 1.00 0.00 H new ATOM 0 HG21 THR A 50 -0.422 -12.312 6.486 1.00 0.00 H new ATOM 0 HG22 THR A 50 -1.000 -11.723 4.909 1.00 0.00 H new ATOM 0 HG23 THR A 50 -1.267 -13.419 5.377 1.00 0.00 H new ATOM 751 N PHE A 51 -0.489 -15.493 3.643 1.00 0.00 N ATOM 752 CA PHE A 51 -1.573 -16.446 3.497 1.00 0.00 C ATOM 753 C PHE A 51 -2.208 -16.728 4.839 1.00 0.00 C ATOM 754 O PHE A 51 -1.670 -17.489 5.650 1.00 0.00 O ATOM 755 CB PHE A 51 -1.041 -17.709 2.823 1.00 0.00 C ATOM 756 CG PHE A 51 -0.073 -17.372 1.728 1.00 0.00 C ATOM 757 CD1 PHE A 51 -0.533 -16.918 0.504 1.00 0.00 C ATOM 758 CD2 PHE A 51 1.292 -17.460 1.937 1.00 0.00 C ATOM 759 CE1 PHE A 51 0.353 -16.564 -0.496 1.00 0.00 C ATOM 760 CE2 PHE A 51 2.184 -17.101 0.945 1.00 0.00 C ATOM 761 CZ PHE A 51 1.715 -16.652 -0.273 1.00 0.00 C ATOM 0 H PHE A 51 0.323 -15.846 4.150 1.00 0.00 H new ATOM 0 HA PHE A 51 -2.356 -16.032 2.862 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -0.551 -18.341 3.564 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -1.872 -18.284 2.414 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -1.596 -16.840 0.328 1.00 0.00 H new ATOM 0 HD2 PHE A 51 1.665 -17.814 2.887 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -0.018 -16.219 -1.450 1.00 0.00 H new ATOM 0 HE2 PHE A 51 3.247 -17.172 1.122 1.00 0.00 H new ATOM 0 HZ PHE A 51 2.410 -16.370 -1.050 1.00 0.00 H new ATOM 771 N ASP A 52 -3.343 -16.091 5.084 1.00 0.00 N ATOM 772 CA ASP A 52 -4.062 -16.239 6.344 1.00 0.00 C ATOM 773 C ASP A 52 -5.429 -16.893 6.157 1.00 0.00 C ATOM 774 O ASP A 52 -6.330 -16.329 5.538 1.00 0.00 O ATOM 775 CB ASP A 52 -4.207 -14.881 7.043 1.00 0.00 C ATOM 776 CG ASP A 52 -5.381 -14.069 6.523 1.00 0.00 C ATOM 777 OD1 ASP A 52 -5.642 -14.113 5.304 1.00 0.00 O ATOM 778 OD2 ASP A 52 -6.042 -13.391 7.338 1.00 0.00 O ATOM 0 H ASP A 52 -3.791 -15.460 4.420 1.00 0.00 H new ATOM 0 HA ASP A 52 -3.471 -16.903 6.975 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -4.329 -15.041 8.114 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -3.289 -14.309 6.909 1.00 0.00 H new ATOM 783 N GLU A 53 -5.575 -18.088 6.688 1.00 0.00 N ATOM 784 CA GLU A 53 -6.825 -18.832 6.589 1.00 0.00 C ATOM 785 C GLU A 53 -7.838 -18.363 7.634 1.00 0.00 C ATOM 786 O GLU A 53 -9.017 -18.705 7.562 1.00 0.00 O ATOM 787 CB GLU A 53 -6.557 -20.326 6.767 1.00 0.00 C ATOM 788 CG GLU A 53 -6.990 -21.166 5.580 1.00 0.00 C ATOM 789 CD GLU A 53 -8.060 -22.178 5.934 1.00 0.00 C ATOM 790 OE1 GLU A 53 -7.844 -22.961 6.893 1.00 0.00 O ATOM 791 OE2 GLU A 53 -9.109 -22.196 5.266 1.00 0.00 O ATOM 0 H GLU A 53 -4.838 -18.574 7.199 1.00 0.00 H new ATOM 0 HA GLU A 53 -7.247 -18.649 5.601 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -5.491 -20.478 6.939 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -7.077 -20.676 7.659 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -7.363 -20.510 4.794 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -6.123 -21.688 5.175 1.00 0.00 H new ATOM 881 N LEU A 60 -10.789 -5.869 5.546 1.00 0.00 N ATOM 882 CA LEU A 60 -11.671 -6.053 4.397 1.00 0.00 C ATOM 883 C LEU A 60 -11.229 -7.279 3.609 1.00 0.00 C ATOM 884 O LEU A 60 -10.064 -7.662 3.659 1.00 0.00 O ATOM 885 CB LEU A 60 -11.691 -4.807 3.503 1.00 0.00 C ATOM 886 CG LEU A 60 -11.887 -3.470 4.232 1.00 0.00 C ATOM 887 CD1 LEU A 60 -12.702 -2.519 3.374 1.00 0.00 C ATOM 888 CD2 LEU A 60 -12.558 -3.675 5.586 1.00 0.00 C ATOM 0 HA LEU A 60 -12.688 -6.207 4.759 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -10.753 -4.764 2.949 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -12.489 -4.921 2.770 1.00 0.00 H new ATOM 0 HG LEU A 60 -10.905 -3.032 4.408 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -12.834 -1.575 3.902 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -12.180 -2.339 2.434 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -13.678 -2.959 3.169 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -12.684 -2.711 6.079 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -13.534 -4.139 5.442 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -11.937 -4.321 6.206 1.00 0.00 H new ATOM 900 N THR A 61 -12.162 -7.927 2.920 1.00 0.00 N ATOM 901 CA THR A 61 -11.832 -9.138 2.185 1.00 0.00 C ATOM 902 C THR A 61 -12.395 -9.155 0.765 1.00 0.00 C ATOM 903 O THR A 61 -13.580 -8.953 0.535 1.00 0.00 O ATOM 904 CB THR A 61 -12.300 -10.370 2.956 1.00 0.00 C ATOM 905 OG1 THR A 61 -13.618 -10.736 2.575 1.00 0.00 O ATOM 906 CG2 THR A 61 -12.298 -10.174 4.459 1.00 0.00 C ATOM 0 H THR A 61 -13.138 -7.638 2.856 1.00 0.00 H new ATOM 0 HA THR A 61 -10.746 -9.156 2.088 1.00 0.00 H new ATOM 0 HB THR A 61 -11.584 -11.153 2.704 1.00 0.00 H new ATOM 0 HG1 THR A 61 -13.896 -11.528 3.080 1.00 0.00 H new ATOM 0 HG21 THR A 61 -12.641 -11.087 4.945 1.00 0.00 H new ATOM 0 HG22 THR A 61 -11.287 -9.942 4.794 1.00 0.00 H new ATOM 0 HG23 THR A 61 -12.964 -9.352 4.720 1.00 0.00 H new ATOM 914 N ILE A 62 -11.501 -9.436 -0.178 1.00 0.00 N ATOM 915 CA ILE A 62 -11.825 -9.539 -1.593 1.00 0.00 C ATOM 916 C ILE A 62 -11.512 -10.959 -2.063 1.00 0.00 C ATOM 917 O ILE A 62 -10.388 -11.424 -1.910 1.00 0.00 O ATOM 918 CB ILE A 62 -10.999 -8.538 -2.436 1.00 0.00 C ATOM 919 CG1 ILE A 62 -9.664 -8.219 -1.750 1.00 0.00 C ATOM 920 CG2 ILE A 62 -11.790 -7.266 -2.684 1.00 0.00 C ATOM 921 CD1 ILE A 62 -9.775 -7.257 -0.580 1.00 0.00 C ATOM 0 H ILE A 62 -10.515 -9.601 0.025 1.00 0.00 H new ATOM 0 HA ILE A 62 -12.882 -9.306 -1.725 1.00 0.00 H new ATOM 0 HB ILE A 62 -10.784 -9.002 -3.399 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -9.218 -9.150 -1.399 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -8.982 -7.797 -2.488 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -11.192 -6.575 -3.278 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -12.707 -7.507 -3.222 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -12.040 -6.801 -1.730 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -8.786 -7.087 -0.154 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -10.189 -6.310 -0.926 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -10.429 -7.683 0.181 1.00 0.00 H new ATOM 933 N GLU A 63 -12.496 -11.661 -2.611 1.00 0.00 N ATOM 934 CA GLU A 63 -12.274 -13.034 -3.059 1.00 0.00 C ATOM 935 C GLU A 63 -11.182 -13.099 -4.121 1.00 0.00 C ATOM 936 O GLU A 63 -10.955 -12.134 -4.852 1.00 0.00 O ATOM 937 CB GLU A 63 -13.565 -13.633 -3.606 1.00 0.00 C ATOM 938 CG GLU A 63 -13.547 -15.150 -3.686 1.00 0.00 C ATOM 939 CD GLU A 63 -14.912 -15.730 -3.979 1.00 0.00 C ATOM 940 OE1 GLU A 63 -15.723 -15.852 -3.035 1.00 0.00 O ATOM 941 OE2 GLU A 63 -15.175 -16.068 -5.154 1.00 0.00 O ATOM 0 H GLU A 63 -13.443 -11.311 -2.756 1.00 0.00 H new ATOM 0 HA GLU A 63 -11.949 -13.615 -2.196 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -14.397 -13.321 -2.974 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -13.751 -13.227 -4.601 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -12.849 -15.461 -4.463 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -13.178 -15.556 -2.744 1.00 0.00 H new ATOM 948 N LYS A 64 -10.505 -14.242 -4.200 1.00 0.00 N ATOM 949 CA LYS A 64 -9.435 -14.428 -5.172 1.00 0.00 C ATOM 950 C LYS A 64 -9.801 -15.485 -6.195 1.00 0.00 C ATOM 951 O LYS A 64 -10.808 -16.182 -6.059 1.00 0.00 O ATOM 952 CB LYS A 64 -8.127 -14.807 -4.472 1.00 0.00 C ATOM 953 CG LYS A 64 -7.642 -13.747 -3.494 1.00 0.00 C ATOM 954 CD LYS A 64 -6.229 -14.016 -2.987 1.00 0.00 C ATOM 955 CE LYS A 64 -5.175 -13.535 -3.973 1.00 0.00 C ATOM 956 NZ LYS A 64 -4.745 -12.139 -3.690 1.00 0.00 N ATOM 0 H LYS A 64 -10.679 -15.051 -3.603 1.00 0.00 H new ATOM 0 HA LYS A 64 -9.294 -13.481 -5.693 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -8.267 -15.747 -3.939 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -7.357 -14.978 -5.224 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -7.670 -12.771 -3.979 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -8.325 -13.701 -2.646 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -6.085 -13.517 -2.029 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -6.103 -15.084 -2.812 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -4.310 -14.197 -3.931 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -5.572 -13.594 -4.986 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -3.856 -11.941 -4.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -5.479 -11.477 -4.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -4.599 -12.021 -2.667 1.00 0.00 H new ATOM 970 N SER A 65 -8.976 -15.600 -7.229 1.00 0.00 N ATOM 971 CA SER A 65 -9.191 -16.561 -8.302 1.00 0.00 C ATOM 972 C SER A 65 -9.459 -17.962 -7.764 1.00 0.00 C ATOM 973 O SER A 65 -10.319 -18.679 -8.278 1.00 0.00 O ATOM 974 CB SER A 65 -7.972 -16.588 -9.221 1.00 0.00 C ATOM 975 OG SER A 65 -8.359 -16.540 -10.583 1.00 0.00 O ATOM 0 H SER A 65 -8.139 -15.029 -7.346 1.00 0.00 H new ATOM 0 HA SER A 65 -10.072 -16.244 -8.860 1.00 0.00 H new ATOM 0 HB2 SER A 65 -7.323 -15.742 -8.994 1.00 0.00 H new ATOM 0 HB3 SER A 65 -7.393 -17.493 -9.036 1.00 0.00 H new ATOM 0 HG SER A 65 -7.560 -16.557 -11.151 1.00 0.00 H new ATOM 981 N GLY A 66 -8.712 -18.357 -6.743 1.00 0.00 N ATOM 982 CA GLY A 66 -8.881 -19.682 -6.174 1.00 0.00 C ATOM 983 C GLY A 66 -8.954 -19.675 -4.659 1.00 0.00 C ATOM 984 O GLY A 66 -8.949 -20.727 -4.026 1.00 0.00 O ATOM 0 H GLY A 66 -7.993 -17.786 -6.298 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -9.791 -20.129 -6.573 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -8.051 -20.314 -6.489 1.00 0.00 H new ATOM 988 N VAL A 67 -9.017 -18.483 -4.066 1.00 0.00 N ATOM 989 CA VAL A 67 -9.086 -18.355 -2.613 1.00 0.00 C ATOM 990 C VAL A 67 -9.761 -17.041 -2.219 1.00 0.00 C ATOM 991 O VAL A 67 -10.617 -16.535 -2.946 1.00 0.00 O ATOM 992 CB VAL A 67 -7.678 -18.440 -1.984 1.00 0.00 C ATOM 993 CG1 VAL A 67 -6.972 -19.709 -2.439 1.00 0.00 C ATOM 994 CG2 VAL A 67 -6.854 -17.221 -2.337 1.00 0.00 C ATOM 0 H VAL A 67 -9.022 -17.595 -4.569 1.00 0.00 H new ATOM 0 HA VAL A 67 -9.684 -19.183 -2.232 1.00 0.00 H new ATOM 0 HB VAL A 67 -7.790 -18.471 -0.900 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -5.981 -19.756 -1.988 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -7.552 -20.579 -2.131 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -6.877 -19.703 -3.525 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -5.867 -17.305 -1.882 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -6.750 -17.153 -3.420 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -7.351 -16.325 -1.963 1.00 0.00 H new ATOM 1004 N GLN A 68 -9.370 -16.482 -1.073 1.00 0.00 N ATOM 1005 CA GLN A 68 -9.940 -15.224 -0.608 1.00 0.00 C ATOM 1006 C GLN A 68 -8.839 -14.254 -0.181 1.00 0.00 C ATOM 1007 O GLN A 68 -7.906 -14.629 0.526 1.00 0.00 O ATOM 1008 CB GLN A 68 -10.899 -15.478 0.559 1.00 0.00 C ATOM 1009 CG GLN A 68 -12.360 -15.245 0.207 1.00 0.00 C ATOM 1010 CD GLN A 68 -12.859 -13.885 0.651 1.00 0.00 C ATOM 1011 OE1 GLN A 68 -12.009 -12.874 0.529 1.00 0.00 O flip ATOM 1012 NE2 GLN A 68 -13.994 -13.744 1.096 1.00 0.00 N flip ATOM 0 H GLN A 68 -8.664 -16.881 -0.454 1.00 0.00 H new ATOM 0 HA GLN A 68 -10.494 -14.774 -1.432 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -10.776 -16.505 0.903 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -10.626 -14.829 1.391 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -12.489 -15.341 -0.871 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -12.969 -16.020 0.671 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -14.615 -14.549 1.173 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -14.316 -12.822 1.389 1.00 0.00 H new ATOM 1021 N LEU A 69 -8.955 -13.003 -0.613 1.00 0.00 N ATOM 1022 CA LEU A 69 -7.975 -11.980 -0.268 1.00 0.00 C ATOM 1023 C LEU A 69 -8.521 -11.069 0.826 1.00 0.00 C ATOM 1024 O LEU A 69 -9.663 -10.635 0.765 1.00 0.00 O ATOM 1025 CB LEU A 69 -7.602 -11.151 -1.502 1.00 0.00 C ATOM 1026 CG LEU A 69 -6.783 -9.886 -1.231 1.00 0.00 C ATOM 1027 CD1 LEU A 69 -5.767 -10.115 -0.124 1.00 0.00 C ATOM 1028 CD2 LEU A 69 -6.079 -9.446 -2.497 1.00 0.00 C ATOM 0 H LEU A 69 -9.719 -12.673 -1.203 1.00 0.00 H new ATOM 0 HA LEU A 69 -7.078 -12.478 0.101 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -7.039 -11.786 -2.187 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -8.520 -10.864 -2.015 1.00 0.00 H new ATOM 0 HG LEU A 69 -7.467 -9.102 -0.906 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -5.201 -9.199 0.045 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -6.285 -10.396 0.793 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -5.085 -10.914 -0.415 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -5.498 -8.546 -2.296 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -5.413 -10.239 -2.837 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -6.818 -9.236 -3.270 1.00 0.00 H new ATOM 1040 N VAL A 70 -7.703 -10.791 1.830 1.00 0.00 N ATOM 1041 CA VAL A 70 -8.119 -9.934 2.932 1.00 0.00 C ATOM 1042 C VAL A 70 -7.000 -8.960 3.302 1.00 0.00 C ATOM 1043 O VAL A 70 -5.915 -9.372 3.691 1.00 0.00 O ATOM 1044 CB VAL A 70 -8.556 -10.781 4.161 1.00 0.00 C ATOM 1045 CG1 VAL A 70 -9.008 -12.161 3.712 1.00 0.00 C ATOM 1046 CG2 VAL A 70 -7.442 -10.912 5.193 1.00 0.00 C ATOM 0 H VAL A 70 -6.749 -11.145 1.905 1.00 0.00 H new ATOM 0 HA VAL A 70 -8.982 -9.353 2.609 1.00 0.00 H new ATOM 0 HB VAL A 70 -9.387 -10.259 4.636 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -9.312 -12.745 4.581 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -9.851 -12.063 3.028 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -8.186 -12.666 3.205 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -7.793 -11.511 6.033 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -6.579 -11.397 4.737 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -7.157 -9.922 5.548 1.00 0.00 H new ATOM 1056 N ILE A 71 -7.258 -7.665 3.164 1.00 0.00 N ATOM 1057 CA ILE A 71 -6.236 -6.668 3.476 1.00 0.00 C ATOM 1058 C ILE A 71 -6.638 -5.796 4.661 1.00 0.00 C ATOM 1059 O ILE A 71 -7.813 -5.691 5.009 1.00 0.00 O ATOM 1060 CB ILE A 71 -5.896 -5.785 2.253 1.00 0.00 C ATOM 1061 CG1 ILE A 71 -6.907 -4.652 2.082 1.00 0.00 C ATOM 1062 CG2 ILE A 71 -5.835 -6.631 0.990 1.00 0.00 C ATOM 1063 CD1 ILE A 71 -8.322 -5.135 1.860 1.00 0.00 C ATOM 0 H ILE A 71 -8.148 -7.283 2.844 1.00 0.00 H new ATOM 0 HA ILE A 71 -5.339 -7.224 3.750 1.00 0.00 H new ATOM 0 HB ILE A 71 -4.918 -5.337 2.429 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -6.883 -4.017 2.968 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -6.606 -4.032 1.237 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -5.595 -5.995 0.138 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -5.066 -7.395 1.101 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -6.801 -7.109 0.825 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -8.986 -4.278 1.747 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -8.361 -5.745 0.958 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -8.641 -5.731 2.715 1.00 0.00 H new ATOM 1075 N ASP A 72 -5.637 -5.185 5.281 1.00 0.00 N ATOM 1076 CA ASP A 72 -5.851 -4.330 6.448 1.00 0.00 C ATOM 1077 C ASP A 72 -6.251 -2.906 6.045 1.00 0.00 C ATOM 1078 O ASP A 72 -5.784 -2.383 5.033 1.00 0.00 O ATOM 1079 CB ASP A 72 -4.580 -4.300 7.300 1.00 0.00 C ATOM 1080 CG ASP A 72 -4.688 -3.377 8.498 1.00 0.00 C ATOM 1081 OD1 ASP A 72 -4.710 -2.144 8.298 1.00 0.00 O ATOM 1082 OD2 ASP A 72 -4.751 -3.886 9.636 1.00 0.00 O ATOM 0 H ASP A 72 -4.661 -5.265 4.995 1.00 0.00 H new ATOM 0 HA ASP A 72 -6.674 -4.748 7.028 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -4.358 -5.310 7.646 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -3.741 -3.984 6.680 1.00 0.00 H new ATOM 1087 N PRO A 73 -7.130 -2.265 6.841 1.00 0.00 N ATOM 1088 CA PRO A 73 -7.607 -0.901 6.579 1.00 0.00 C ATOM 1089 C PRO A 73 -6.483 0.066 6.217 1.00 0.00 C ATOM 1090 O PRO A 73 -6.658 0.948 5.379 1.00 0.00 O ATOM 1091 CB PRO A 73 -8.252 -0.502 7.904 1.00 0.00 C ATOM 1092 CG PRO A 73 -8.743 -1.786 8.473 1.00 0.00 C ATOM 1093 CD PRO A 73 -7.739 -2.830 8.062 1.00 0.00 C ATOM 0 HA PRO A 73 -8.282 -0.865 5.724 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -7.533 -0.021 8.568 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -9.068 0.204 7.753 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -8.823 -1.727 9.558 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -9.736 -2.028 8.093 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -6.995 -2.999 8.840 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -8.217 -3.790 7.865 1.00 0.00 H new ATOM 1101 N MET A 74 -5.325 -0.099 6.846 1.00 0.00 N ATOM 1102 CA MET A 74 -4.190 0.767 6.569 1.00 0.00 C ATOM 1103 C MET A 74 -3.841 0.700 5.085 1.00 0.00 C ATOM 1104 O MET A 74 -3.633 1.717 4.419 1.00 0.00 O ATOM 1105 CB MET A 74 -2.993 0.370 7.450 1.00 0.00 C ATOM 1106 CG MET A 74 -1.632 0.464 6.769 1.00 0.00 C ATOM 1107 SD MET A 74 -0.295 0.782 7.936 1.00 0.00 S ATOM 1108 CE MET A 74 -0.295 2.573 7.969 1.00 0.00 C ATOM 0 H MET A 74 -5.150 -0.820 7.546 1.00 0.00 H new ATOM 0 HA MET A 74 -4.450 1.798 6.809 1.00 0.00 H new ATOM 0 HB2 MET A 74 -2.985 1.007 8.334 1.00 0.00 H new ATOM 0 HB3 MET A 74 -3.139 -0.653 7.796 1.00 0.00 H new ATOM 0 HG2 MET A 74 -1.431 -0.465 6.236 1.00 0.00 H new ATOM 0 HG3 MET A 74 -1.656 1.259 6.024 1.00 0.00 H new ATOM 0 HE1 MET A 74 0.481 2.924 8.649 1.00 0.00 H new ATOM 0 HE2 MET A 74 -0.100 2.955 6.967 1.00 0.00 H new ATOM 0 HE3 MET A 74 -1.266 2.931 8.311 1.00 0.00 H new ATOM 1118 N SER A 75 -3.809 -0.504 4.560 1.00 0.00 N ATOM 1119 CA SER A 75 -3.521 -0.688 3.154 1.00 0.00 C ATOM 1120 C SER A 75 -4.730 -0.267 2.331 1.00 0.00 C ATOM 1121 O SER A 75 -4.595 0.237 1.219 1.00 0.00 O ATOM 1122 CB SER A 75 -3.167 -2.148 2.864 1.00 0.00 C ATOM 1123 OG SER A 75 -2.258 -2.653 3.826 1.00 0.00 O ATOM 0 H SER A 75 -3.977 -1.365 5.080 1.00 0.00 H new ATOM 0 HA SER A 75 -2.665 -0.070 2.883 1.00 0.00 H new ATOM 0 HB2 SER A 75 -4.074 -2.752 2.864 1.00 0.00 H new ATOM 0 HB3 SER A 75 -2.730 -2.229 1.869 1.00 0.00 H new ATOM 0 HG SER A 75 -2.662 -3.416 4.289 1.00 0.00 H new ATOM 1129 N LEU A 76 -5.919 -0.478 2.896 1.00 0.00 N ATOM 1130 CA LEU A 76 -7.166 -0.137 2.228 1.00 0.00 C ATOM 1131 C LEU A 76 -7.111 1.262 1.615 1.00 0.00 C ATOM 1132 O LEU A 76 -7.469 1.439 0.457 1.00 0.00 O ATOM 1133 CB LEU A 76 -8.332 -0.293 3.207 1.00 0.00 C ATOM 1134 CG LEU A 76 -9.491 0.685 3.050 1.00 0.00 C ATOM 1135 CD1 LEU A 76 -10.716 0.135 3.740 1.00 0.00 C ATOM 1136 CD2 LEU A 76 -9.117 2.022 3.645 1.00 0.00 C ATOM 0 H LEU A 76 -6.040 -0.887 3.822 1.00 0.00 H new ATOM 0 HA LEU A 76 -7.322 -0.826 1.398 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -8.725 -1.305 3.110 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -7.941 -0.198 4.220 1.00 0.00 H new ATOM 0 HG LEU A 76 -9.709 0.819 1.990 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -11.543 0.836 3.626 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -10.987 -0.821 3.293 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -10.504 -0.007 4.800 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -9.949 2.717 3.530 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -8.891 1.899 4.704 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -8.241 2.417 3.131 1.00 0.00 H new ATOM 1148 N GLN A 77 -6.652 2.249 2.380 1.00 0.00 N ATOM 1149 CA GLN A 77 -6.553 3.611 1.857 1.00 0.00 C ATOM 1150 C GLN A 77 -5.443 3.704 0.816 1.00 0.00 C ATOM 1151 O GLN A 77 -5.454 4.595 -0.034 1.00 0.00 O ATOM 1152 CB GLN A 77 -6.279 4.647 2.954 1.00 0.00 C ATOM 1153 CG GLN A 77 -6.974 4.380 4.276 1.00 0.00 C ATOM 1154 CD GLN A 77 -5.987 4.160 5.397 1.00 0.00 C ATOM 1155 OE1 GLN A 77 -4.950 3.390 5.108 1.00 0.00 O flip ATOM 1156 NE2 GLN A 77 -6.153 4.673 6.504 1.00 0.00 N flip ATOM 0 H GLN A 77 -6.347 2.137 3.347 1.00 0.00 H new ATOM 0 HA GLN A 77 -7.520 3.836 1.407 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -5.204 4.693 3.129 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -6.586 5.628 2.591 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -7.621 5.222 4.522 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -7.614 3.503 4.179 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -6.969 5.259 6.677 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -5.474 4.512 7.248 1.00 0.00 H new ATOM 1165 N TYR A 78 -4.474 2.794 0.896 1.00 0.00 N ATOM 1166 CA TYR A 78 -3.356 2.803 -0.034 1.00 0.00 C ATOM 1167 C TYR A 78 -3.699 2.091 -1.339 1.00 0.00 C ATOM 1168 O TYR A 78 -3.289 2.523 -2.416 1.00 0.00 O ATOM 1169 CB TYR A 78 -2.132 2.138 0.600 1.00 0.00 C ATOM 1170 CG TYR A 78 -1.510 2.932 1.726 1.00 0.00 C ATOM 1171 CD1 TYR A 78 -2.276 3.387 2.790 1.00 0.00 C ATOM 1172 CD2 TYR A 78 -0.151 3.218 1.728 1.00 0.00 C ATOM 1173 CE1 TYR A 78 -1.708 4.105 3.824 1.00 0.00 C ATOM 1174 CE2 TYR A 78 0.426 3.934 2.758 1.00 0.00 C ATOM 1175 CZ TYR A 78 -0.356 4.377 3.804 1.00 0.00 C ATOM 1176 OH TYR A 78 0.214 5.092 4.832 1.00 0.00 O ATOM 0 H TYR A 78 -4.444 2.048 1.591 1.00 0.00 H new ATOM 0 HA TYR A 78 -3.133 3.845 -0.262 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -2.420 1.157 0.978 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -1.381 1.974 -0.172 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -3.335 3.176 2.810 1.00 0.00 H new ATOM 0 HD2 TYR A 78 0.465 2.875 0.910 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -2.319 4.452 4.644 1.00 0.00 H new ATOM 0 HE2 TYR A 78 1.485 4.146 2.745 1.00 0.00 H new ATOM 0 HH TYR A 78 1.174 5.196 4.665 1.00 0.00 H new ATOM 1186 N LEU A 79 -4.424 0.986 -1.234 1.00 0.00 N ATOM 1187 CA LEU A 79 -4.787 0.198 -2.412 1.00 0.00 C ATOM 1188 C LEU A 79 -6.120 0.621 -3.038 1.00 0.00 C ATOM 1189 O LEU A 79 -6.420 0.242 -4.165 1.00 0.00 O ATOM 1190 CB LEU A 79 -4.735 -1.317 -2.118 1.00 0.00 C ATOM 1191 CG LEU A 79 -5.767 -1.931 -1.150 1.00 0.00 C ATOM 1192 CD1 LEU A 79 -5.128 -2.182 0.201 1.00 0.00 C ATOM 1193 CD2 LEU A 79 -7.008 -1.072 -0.994 1.00 0.00 C ATOM 0 H LEU A 79 -4.773 0.613 -0.351 1.00 0.00 H new ATOM 0 HA LEU A 79 -4.031 0.412 -3.167 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -4.827 -1.839 -3.070 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -3.743 -1.541 -1.726 1.00 0.00 H new ATOM 0 HG LEU A 79 -6.090 -2.877 -1.584 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -5.865 -2.616 0.877 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -4.292 -2.871 0.085 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -4.767 -1.240 0.614 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -7.699 -1.553 -0.302 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -6.727 -0.094 -0.605 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -7.491 -0.951 -1.964 1.00 0.00 H new ATOM 1205 N ILE A 80 -6.930 1.368 -2.292 1.00 0.00 N ATOM 1206 CA ILE A 80 -8.259 1.801 -2.759 1.00 0.00 C ATOM 1207 C ILE A 80 -8.444 1.682 -4.278 1.00 0.00 C ATOM 1208 O ILE A 80 -7.716 2.286 -5.067 1.00 0.00 O ATOM 1209 CB ILE A 80 -8.555 3.266 -2.366 1.00 0.00 C ATOM 1210 CG1 ILE A 80 -7.657 4.227 -3.149 1.00 0.00 C ATOM 1211 CG2 ILE A 80 -8.388 3.478 -0.875 1.00 0.00 C ATOM 1212 CD1 ILE A 80 -6.183 3.903 -3.051 1.00 0.00 C ATOM 0 H ILE A 80 -6.694 1.692 -1.354 1.00 0.00 H new ATOM 0 HA ILE A 80 -8.954 1.121 -2.266 1.00 0.00 H new ATOM 0 HB ILE A 80 -9.594 3.477 -2.621 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -7.953 4.213 -4.198 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -7.821 5.241 -2.785 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -8.603 4.518 -0.629 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -9.077 2.828 -0.336 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -7.364 3.241 -0.586 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -5.612 4.628 -3.631 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -5.870 3.946 -2.008 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -6.004 2.902 -3.443 1.00 0.00 H new ATOM 1224 N GLY A 81 -9.453 0.902 -4.653 1.00 0.00 N ATOM 1225 CA GLY A 81 -9.812 0.678 -6.048 1.00 0.00 C ATOM 1226 C GLY A 81 -8.653 0.697 -7.037 1.00 0.00 C ATOM 1227 O GLY A 81 -8.833 1.100 -8.186 1.00 0.00 O ATOM 0 H GLY A 81 -10.049 0.404 -3.992 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -10.316 -0.285 -6.125 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -10.533 1.439 -6.346 1.00 0.00 H new ATOM 1231 N GLY A 82 -7.477 0.250 -6.615 1.00 0.00 N ATOM 1232 CA GLY A 82 -6.340 0.222 -7.525 1.00 0.00 C ATOM 1233 C GLY A 82 -6.289 -1.068 -8.327 1.00 0.00 C ATOM 1234 O GLY A 82 -7.327 -1.658 -8.624 1.00 0.00 O ATOM 0 H GLY A 82 -7.287 -0.090 -5.672 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -6.399 1.071 -8.206 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -5.417 0.333 -6.956 1.00 0.00 H new ATOM 1238 N THR A 83 -5.083 -1.514 -8.675 1.00 0.00 N ATOM 1239 CA THR A 83 -4.913 -2.748 -9.437 1.00 0.00 C ATOM 1240 C THR A 83 -3.581 -3.412 -9.089 1.00 0.00 C ATOM 1241 O THR A 83 -2.545 -2.752 -9.039 1.00 0.00 O ATOM 1242 CB THR A 83 -4.985 -2.469 -10.938 1.00 0.00 C ATOM 1243 OG1 THR A 83 -6.318 -2.202 -11.335 1.00 0.00 O ATOM 1244 CG2 THR A 83 -4.475 -3.617 -11.784 1.00 0.00 C ATOM 0 H THR A 83 -4.211 -1.039 -8.441 1.00 0.00 H new ATOM 0 HA THR A 83 -5.723 -3.427 -9.171 1.00 0.00 H new ATOM 0 HB THR A 83 -4.343 -1.603 -11.103 1.00 0.00 H new ATOM 0 HG1 THR A 83 -6.885 -2.114 -10.540 1.00 0.00 H new ATOM 0 HG21 THR A 83 -4.554 -3.354 -12.839 1.00 0.00 H new ATOM 0 HG22 THR A 83 -3.432 -3.816 -11.536 1.00 0.00 H new ATOM 0 HG23 THR A 83 -5.071 -4.508 -11.586 1.00 0.00 H new ATOM 1252 N VAL A 84 -3.615 -4.722 -8.855 1.00 0.00 N ATOM 1253 CA VAL A 84 -2.402 -5.464 -8.516 1.00 0.00 C ATOM 1254 C VAL A 84 -2.224 -6.678 -9.416 1.00 0.00 C ATOM 1255 O VAL A 84 -3.194 -7.251 -9.907 1.00 0.00 O ATOM 1256 CB VAL A 84 -2.375 -5.932 -7.035 1.00 0.00 C ATOM 1257 CG1 VAL A 84 -3.645 -5.556 -6.291 1.00 0.00 C ATOM 1258 CG2 VAL A 84 -2.123 -7.429 -6.938 1.00 0.00 C ATOM 0 H VAL A 84 -4.462 -5.289 -8.893 1.00 0.00 H new ATOM 0 HA VAL A 84 -1.580 -4.765 -8.670 1.00 0.00 H new ATOM 0 HB VAL A 84 -1.548 -5.409 -6.554 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -3.579 -5.904 -5.260 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -3.766 -4.473 -6.301 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -4.503 -6.021 -6.777 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -2.109 -7.729 -5.890 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -2.916 -7.966 -7.459 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -1.163 -7.667 -7.396 1.00 0.00 H new ATOM 1268 N ASP A 85 -0.973 -7.081 -9.598 1.00 0.00 N ATOM 1269 CA ASP A 85 -0.661 -8.248 -10.406 1.00 0.00 C ATOM 1270 C ASP A 85 0.625 -8.914 -9.934 1.00 0.00 C ATOM 1271 O ASP A 85 1.567 -8.242 -9.513 1.00 0.00 O ATOM 1272 CB ASP A 85 -0.551 -7.875 -11.884 1.00 0.00 C ATOM 1273 CG ASP A 85 0.146 -6.545 -12.101 1.00 0.00 C ATOM 1274 OD1 ASP A 85 -0.529 -5.499 -12.010 1.00 0.00 O ATOM 1275 OD2 ASP A 85 1.368 -6.552 -12.363 1.00 0.00 O ATOM 0 H ASP A 85 -0.159 -6.615 -9.196 1.00 0.00 H new ATOM 0 HA ASP A 85 -1.479 -8.959 -10.288 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -0.006 -8.657 -12.412 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -1.549 -7.833 -12.319 1.00 0.00 H new ATOM 1280 N TYR A 86 0.658 -10.238 -10.012 1.00 0.00 N ATOM 1281 CA TYR A 86 1.825 -11.002 -9.600 1.00 0.00 C ATOM 1282 C TYR A 86 2.421 -11.745 -10.787 1.00 0.00 C ATOM 1283 O TYR A 86 1.698 -12.227 -11.658 1.00 0.00 O ATOM 1284 CB TYR A 86 1.434 -11.994 -8.510 1.00 0.00 C ATOM 1285 CG TYR A 86 2.264 -11.891 -7.253 1.00 0.00 C ATOM 1286 CD1 TYR A 86 3.616 -12.204 -7.261 1.00 0.00 C ATOM 1287 CD2 TYR A 86 1.689 -11.489 -6.056 1.00 0.00 C ATOM 1288 CE1 TYR A 86 4.374 -12.119 -6.109 1.00 0.00 C ATOM 1289 CE2 TYR A 86 2.437 -11.400 -4.898 1.00 0.00 C ATOM 1290 CZ TYR A 86 3.780 -11.716 -4.930 1.00 0.00 C ATOM 1291 OH TYR A 86 4.531 -11.629 -3.780 1.00 0.00 O ATOM 0 H TYR A 86 -0.115 -10.806 -10.359 1.00 0.00 H new ATOM 0 HA TYR A 86 2.574 -10.313 -9.209 1.00 0.00 H new ATOM 0 HB2 TYR A 86 0.386 -11.840 -8.253 1.00 0.00 H new ATOM 0 HB3 TYR A 86 1.520 -13.005 -8.907 1.00 0.00 H new ATOM 0 HD1 TYR A 86 4.083 -12.519 -8.182 1.00 0.00 H new ATOM 0 HD2 TYR A 86 0.638 -11.241 -6.029 1.00 0.00 H new ATOM 0 HE1 TYR A 86 5.425 -12.366 -6.131 1.00 0.00 H new ATOM 0 HE2 TYR A 86 1.974 -11.085 -3.974 1.00 0.00 H new ATOM 0 HH TYR A 86 3.963 -11.330 -3.040 1.00 0.00 H new ATOM 1301 N THR A 87 3.742 -11.841 -10.812 1.00 0.00 N ATOM 1302 CA THR A 87 4.430 -12.534 -11.892 1.00 0.00 C ATOM 1303 C THR A 87 5.735 -13.147 -11.400 1.00 0.00 C ATOM 1304 O THR A 87 6.788 -12.511 -11.446 1.00 0.00 O ATOM 1305 CB THR A 87 4.702 -11.581 -13.056 1.00 0.00 C ATOM 1306 OG1 THR A 87 3.492 -11.029 -13.545 1.00 0.00 O ATOM 1307 CG2 THR A 87 5.407 -12.244 -14.220 1.00 0.00 C ATOM 0 H THR A 87 4.358 -11.449 -10.099 1.00 0.00 H new ATOM 0 HA THR A 87 3.782 -13.338 -12.242 1.00 0.00 H new ATOM 0 HB THR A 87 5.354 -10.807 -12.650 1.00 0.00 H new ATOM 0 HG1 THR A 87 3.687 -10.421 -14.288 1.00 0.00 H new ATOM 0 HG21 THR A 87 5.570 -11.512 -15.011 1.00 0.00 H new ATOM 0 HG22 THR A 87 6.367 -12.638 -13.887 1.00 0.00 H new ATOM 0 HG23 THR A 87 4.792 -13.060 -14.601 1.00 0.00 H new ATOM 1413 N PHE A 95 6.180 -8.488 -7.170 1.00 0.00 N ATOM 1414 CA PHE A 95 4.833 -7.970 -6.973 1.00 0.00 C ATOM 1415 C PHE A 95 4.725 -6.511 -7.404 1.00 0.00 C ATOM 1416 O PHE A 95 5.583 -5.692 -7.072 1.00 0.00 O ATOM 1417 CB PHE A 95 4.439 -8.107 -5.503 1.00 0.00 C ATOM 1418 CG PHE A 95 2.969 -7.952 -5.255 1.00 0.00 C ATOM 1419 CD1 PHE A 95 2.044 -8.551 -6.096 1.00 0.00 C ATOM 1420 CD2 PHE A 95 2.510 -7.208 -4.179 1.00 0.00 C ATOM 1421 CE1 PHE A 95 0.692 -8.409 -5.869 1.00 0.00 C ATOM 1422 CE2 PHE A 95 1.156 -7.065 -3.948 1.00 0.00 C ATOM 1423 CZ PHE A 95 0.247 -7.666 -4.795 1.00 0.00 C ATOM 0 HA PHE A 95 4.153 -8.553 -7.594 1.00 0.00 H new ATOM 0 HB2 PHE A 95 4.758 -9.084 -5.140 1.00 0.00 H new ATOM 0 HB3 PHE A 95 4.977 -7.359 -4.921 1.00 0.00 H new ATOM 0 HD1 PHE A 95 2.386 -9.135 -6.938 1.00 0.00 H new ATOM 0 HD2 PHE A 95 3.218 -6.735 -3.515 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -0.019 -8.879 -6.532 1.00 0.00 H new ATOM 0 HE2 PHE A 95 0.809 -6.484 -3.106 1.00 0.00 H new ATOM 0 HZ PHE A 95 -0.812 -7.555 -4.617 1.00 0.00 H new ATOM 1433 N THR A 96 3.662 -6.188 -8.138 1.00 0.00 N ATOM 1434 CA THR A 96 3.448 -4.819 -8.598 1.00 0.00 C ATOM 1435 C THR A 96 1.979 -4.421 -8.502 1.00 0.00 C ATOM 1436 O THR A 96 1.092 -5.168 -8.914 1.00 0.00 O ATOM 1437 CB THR A 96 3.933 -4.651 -10.037 1.00 0.00 C ATOM 1438 OG1 THR A 96 4.959 -5.580 -10.336 1.00 0.00 O ATOM 1439 CG2 THR A 96 4.466 -3.264 -10.326 1.00 0.00 C ATOM 0 H THR A 96 2.941 -6.850 -8.425 1.00 0.00 H new ATOM 0 HA THR A 96 4.025 -4.164 -7.946 1.00 0.00 H new ATOM 0 HB THR A 96 3.056 -4.825 -10.661 1.00 0.00 H new ATOM 0 HG1 THR A 96 5.253 -5.455 -11.262 1.00 0.00 H new ATOM 0 HG21 THR A 96 4.794 -3.209 -11.364 1.00 0.00 H new ATOM 0 HG22 THR A 96 3.679 -2.529 -10.155 1.00 0.00 H new ATOM 0 HG23 THR A 96 5.309 -3.053 -9.667 1.00 0.00 H new ATOM 1447 N VAL A 97 1.734 -3.235 -7.954 1.00 0.00 N ATOM 1448 CA VAL A 97 0.375 -2.720 -7.798 1.00 0.00 C ATOM 1449 C VAL A 97 0.271 -1.301 -8.350 1.00 0.00 C ATOM 1450 O VAL A 97 1.284 -0.653 -8.607 1.00 0.00 O ATOM 1451 CB VAL A 97 -0.066 -2.717 -6.318 1.00 0.00 C ATOM 1452 CG1 VAL A 97 -1.578 -2.630 -6.203 1.00 0.00 C ATOM 1453 CG2 VAL A 97 0.448 -3.948 -5.585 1.00 0.00 C ATOM 0 H VAL A 97 2.461 -2.609 -7.609 1.00 0.00 H new ATOM 0 HA VAL A 97 -0.284 -3.383 -8.359 1.00 0.00 H new ATOM 0 HB VAL A 97 0.370 -1.835 -5.848 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -1.863 -2.630 -5.151 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -1.926 -1.711 -6.674 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -2.031 -3.487 -6.701 1.00 0.00 H new ATOM 0 HG21 VAL A 97 0.121 -3.916 -4.546 1.00 0.00 H new ATOM 0 HG22 VAL A 97 0.055 -4.846 -6.062 1.00 0.00 H new ATOM 0 HG23 VAL A 97 1.537 -3.965 -5.622 1.00 0.00 H new ATOM 1463 N ASN A 98 -0.958 -0.822 -8.534 1.00 0.00 N ATOM 1464 CA ASN A 98 -1.179 0.523 -9.059 1.00 0.00 C ATOM 1465 C ASN A 98 -2.486 1.109 -8.530 1.00 0.00 C ATOM 1466 O ASN A 98 -3.529 0.461 -8.574 1.00 0.00 O ATOM 1467 CB ASN A 98 -1.204 0.499 -10.589 1.00 0.00 C ATOM 1468 CG ASN A 98 -0.083 -0.338 -11.174 1.00 0.00 C ATOM 1469 OD1 ASN A 98 1.095 -0.040 -10.980 1.00 0.00 O ATOM 1470 ND2 ASN A 98 -0.444 -1.389 -11.901 1.00 0.00 N ATOM 0 H ASN A 98 -1.811 -1.342 -8.329 1.00 0.00 H new ATOM 0 HA ASN A 98 -0.356 1.154 -8.724 1.00 0.00 H new ATOM 0 HB2 ASN A 98 -2.162 0.105 -10.928 1.00 0.00 H new ATOM 0 HB3 ASN A 98 -1.127 1.519 -10.967 1.00 0.00 H new ATOM 0 HD21 ASN A 98 0.267 -1.985 -12.324 1.00 0.00 H new ATOM 0 HD22 ASN A 98 -1.433 -1.600 -12.037 1.00 0.00 H new