USER MOD reduce.3.24.130724 H: found=0, std=0, add=683, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 685 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 67 GLN : amide:sc= -8.79! C(o=-11!,f=-22!) USER MOD Set 1.2: A 74 MET CE :methyl -156:sc= -0.257 (180deg=-1.27) USER MOD Set 1.3: A 91 ASN : amide:sc= -1.49! X(o=-11!,f=-11) USER MOD Set 2.1: A 72 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 76 ASN :FLIP amide:sc= -3.32 F(o=-4.4!,f=-3.3) USER MOD Single : A 14 SER OG : rot 29:sc= 0.019 USER MOD Single : A 17 SER OG : rot 68:sc= -0.386 USER MOD Single : A 22 ASN : amide:sc= 0.374 X(o=0.37,f=-0.048) USER MOD Single : A 25 TYR OH : rot -33:sc= 0.0504 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0.0171 USER MOD Single : A 31 GLN : amide:sc= -2.09 K(o=-2.1,f=-2.8!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot -44:sc= 0.808 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot 158:sc= -3.43! USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 CYS SG : rot 113:sc= -3.47! USER MOD Single : A 64 TYR OH : rot 15:sc= -2.08! USER MOD Single : A 65 GLN : amide:sc= -0.0135 X(o=-0.013,f=0) USER MOD Single : A 69 THR OG1 : rot 168:sc= 0.67 USER MOD Single : A 78 ASN : amide:sc= -8.11! C(o=-8.1!,f=-10!) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 ASN : amide:sc= -12.9! C(o=-13!,f=-12!) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 89 N SER A 14 -2.683 5.816 -11.183 1.00 0.00 N ATOM 90 CA SER A 14 -3.379 5.606 -12.442 1.00 0.00 C ATOM 91 C SER A 14 -4.649 6.458 -12.485 1.00 0.00 C ATOM 92 O SER A 14 -4.973 7.043 -13.518 1.00 0.00 O ATOM 93 CB SER A 14 -3.723 4.129 -12.641 1.00 0.00 C ATOM 94 OG SER A 14 -2.556 3.314 -12.714 1.00 0.00 O ATOM 0 HA SER A 14 -2.718 5.909 -13.254 1.00 0.00 H new ATOM 0 HB2 SER A 14 -4.352 3.789 -11.818 1.00 0.00 H new ATOM 0 HB3 SER A 14 -4.305 4.012 -13.555 1.00 0.00 H new ATOM 0 HG SER A 14 -1.838 3.723 -12.187 1.00 0.00 H new ATOM 100 N LEU A 15 -5.335 6.500 -11.352 1.00 0.00 N ATOM 101 CA LEU A 15 -6.562 7.270 -11.248 1.00 0.00 C ATOM 102 C LEU A 15 -6.228 8.762 -11.286 1.00 0.00 C ATOM 103 O LEU A 15 -7.115 9.597 -11.458 1.00 0.00 O ATOM 104 CB LEU A 15 -7.356 6.848 -10.010 1.00 0.00 C ATOM 105 CG LEU A 15 -7.732 5.368 -9.926 1.00 0.00 C ATOM 106 CD1 LEU A 15 -7.200 4.739 -8.637 1.00 0.00 C ATOM 107 CD2 LEU A 15 -9.243 5.177 -10.076 1.00 0.00 C ATOM 0 H LEU A 15 -5.064 6.013 -10.498 1.00 0.00 H new ATOM 0 HA LEU A 15 -7.212 7.067 -12.099 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -6.774 7.105 -9.125 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -8.272 7.438 -9.972 1.00 0.00 H new ATOM 0 HG LEU A 15 -7.257 4.847 -10.758 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -7.481 3.687 -8.603 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -6.114 4.825 -8.611 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -7.625 5.257 -7.777 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -9.484 4.116 -10.013 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -9.758 5.714 -9.280 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -9.565 5.565 -11.043 1.00 0.00 H new ATOM 119 N ARG A 16 -4.946 9.053 -11.122 1.00 0.00 N ATOM 120 CA ARG A 16 -4.483 10.430 -11.135 1.00 0.00 C ATOM 121 C ARG A 16 -3.803 10.749 -12.468 1.00 0.00 C ATOM 122 O ARG A 16 -2.626 11.107 -12.498 1.00 0.00 O ATOM 123 CB ARG A 16 -3.499 10.692 -9.993 1.00 0.00 C ATOM 124 CG ARG A 16 -4.222 10.730 -8.645 1.00 0.00 C ATOM 125 CD ARG A 16 -3.830 11.976 -7.848 1.00 0.00 C ATOM 126 NE ARG A 16 -2.389 12.260 -8.029 1.00 0.00 N ATOM 127 CZ ARG A 16 -1.416 11.706 -7.293 1.00 0.00 C ATOM 128 NH1 ARG A 16 -1.723 10.836 -6.322 1.00 0.00 N ATOM 129 NH2 ARG A 16 -0.135 12.024 -7.527 1.00 0.00 N ATOM 0 H ARG A 16 -4.213 8.358 -10.979 1.00 0.00 H new ATOM 0 HA ARG A 16 -5.353 11.073 -11.004 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -2.737 9.913 -9.979 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -2.985 11.638 -10.161 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -5.300 10.721 -8.806 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -3.978 9.836 -8.072 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -4.422 12.830 -8.178 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -4.049 11.826 -6.791 1.00 0.00 H new ATOM 0 HE ARG A 16 -2.120 12.919 -8.760 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -2.698 10.595 -6.143 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -0.982 10.414 -5.762 1.00 0.00 H new ATOM 0 HH21 ARG A 16 0.099 12.688 -8.265 1.00 0.00 H new ATOM 0 HH22 ARG A 16 0.606 11.602 -6.967 1.00 0.00 H new ATOM 143 N SER A 17 -4.572 10.607 -13.537 1.00 0.00 N ATOM 144 CA SER A 17 -4.059 10.876 -14.870 1.00 0.00 C ATOM 145 C SER A 17 -5.177 10.723 -15.902 1.00 0.00 C ATOM 146 O SER A 17 -5.979 9.793 -15.821 1.00 0.00 O ATOM 147 CB SER A 17 -2.892 9.946 -15.208 1.00 0.00 C ATOM 148 OG SER A 17 -1.676 10.370 -14.598 1.00 0.00 O ATOM 0 H SER A 17 -5.547 10.309 -13.508 1.00 0.00 H new ATOM 0 HA SER A 17 -3.690 11.901 -14.895 1.00 0.00 H new ATOM 0 HB2 SER A 17 -3.128 8.934 -14.880 1.00 0.00 H new ATOM 0 HB3 SER A 17 -2.761 9.908 -16.289 1.00 0.00 H new ATOM 0 HG SER A 17 -1.742 10.261 -13.626 1.00 0.00 H new ATOM 154 N VAL A 18 -5.195 11.648 -16.850 1.00 0.00 N ATOM 155 CA VAL A 18 -6.201 11.627 -17.898 1.00 0.00 C ATOM 156 C VAL A 18 -5.511 11.618 -19.263 1.00 0.00 C ATOM 157 O VAL A 18 -4.687 12.485 -19.552 1.00 0.00 O ATOM 158 CB VAL A 18 -7.164 12.804 -17.722 1.00 0.00 C ATOM 159 CG1 VAL A 18 -8.422 12.375 -16.965 1.00 0.00 C ATOM 160 CG2 VAL A 18 -6.474 13.976 -17.021 1.00 0.00 C ATOM 0 H VAL A 18 -4.528 12.417 -16.914 1.00 0.00 H new ATOM 0 HA VAL A 18 -6.801 10.720 -17.832 1.00 0.00 H new ATOM 0 HB VAL A 18 -7.469 13.139 -18.713 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -9.089 13.230 -16.854 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -8.931 11.588 -17.521 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -8.144 12.001 -15.980 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -7.180 14.799 -16.908 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -6.127 13.658 -16.038 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -5.623 14.307 -17.617 1.00 0.00 H new ATOM 170 N PHE A 19 -5.872 10.629 -20.067 1.00 0.00 N ATOM 171 CA PHE A 19 -5.297 10.495 -21.394 1.00 0.00 C ATOM 172 C PHE A 19 -5.911 11.509 -22.362 1.00 0.00 C ATOM 173 O PHE A 19 -7.133 11.616 -22.462 1.00 0.00 O ATOM 174 CB PHE A 19 -5.620 9.082 -21.882 1.00 0.00 C ATOM 175 CG PHE A 19 -5.148 8.792 -23.308 1.00 0.00 C ATOM 176 CD1 PHE A 19 -3.856 9.033 -23.659 1.00 0.00 C ATOM 177 CD2 PHE A 19 -6.020 8.293 -24.225 1.00 0.00 C ATOM 178 CE1 PHE A 19 -3.418 8.765 -24.982 1.00 0.00 C ATOM 179 CE2 PHE A 19 -5.581 8.025 -25.549 1.00 0.00 C ATOM 180 CZ PHE A 19 -4.289 8.266 -25.899 1.00 0.00 C ATOM 0 H PHE A 19 -6.556 9.912 -19.825 1.00 0.00 H new ATOM 0 HA PHE A 19 -4.223 10.675 -21.354 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -5.161 8.361 -21.205 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -6.698 8.928 -21.829 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -3.163 9.428 -22.931 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -7.046 8.101 -23.947 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -2.392 8.957 -25.261 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -6.273 7.630 -26.278 1.00 0.00 H new ATOM 0 HZ PHE A 19 -3.955 8.061 -26.905 1.00 0.00 H new ATOM 190 N VAL A 20 -5.036 12.227 -23.050 1.00 0.00 N ATOM 191 CA VAL A 20 -5.477 13.229 -24.006 1.00 0.00 C ATOM 192 C VAL A 20 -4.993 12.841 -25.405 1.00 0.00 C ATOM 193 O VAL A 20 -3.828 12.487 -25.586 1.00 0.00 O ATOM 194 CB VAL A 20 -4.998 14.615 -23.571 1.00 0.00 C ATOM 195 CG1 VAL A 20 -5.876 15.713 -24.175 1.00 0.00 C ATOM 196 CG2 VAL A 20 -4.953 14.725 -22.046 1.00 0.00 C ATOM 0 H VAL A 20 -4.024 12.135 -22.965 1.00 0.00 H new ATOM 0 HA VAL A 20 -6.566 13.272 -24.039 1.00 0.00 H new ATOM 0 HB VAL A 20 -3.984 14.753 -23.947 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -5.514 16.688 -23.850 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -5.835 15.655 -25.263 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -6.906 15.579 -23.843 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -4.609 15.720 -21.763 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -5.950 14.556 -21.639 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -4.267 13.977 -21.647 1.00 0.00 H new ATOM 206 N GLY A 21 -5.910 12.920 -26.357 1.00 0.00 N ATOM 207 CA GLY A 21 -5.591 12.581 -27.734 1.00 0.00 C ATOM 208 C GLY A 21 -6.124 13.643 -28.698 1.00 0.00 C ATOM 209 O GLY A 21 -6.608 14.689 -28.268 1.00 0.00 O ATOM 0 H GLY A 21 -6.874 13.214 -26.203 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -4.511 12.490 -27.849 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -6.021 11.611 -27.982 1.00 0.00 H new ATOM 213 N ASN A 22 -6.018 13.337 -29.982 1.00 0.00 N ATOM 214 CA ASN A 22 -6.484 14.252 -31.010 1.00 0.00 C ATOM 215 C ASN A 22 -5.888 15.638 -30.761 1.00 0.00 C ATOM 216 O ASN A 22 -6.546 16.652 -30.991 1.00 0.00 O ATOM 217 CB ASN A 22 -8.008 14.381 -30.983 1.00 0.00 C ATOM 218 CG ASN A 22 -8.565 14.600 -32.391 1.00 0.00 C ATOM 219 OD1 ASN A 22 -8.410 13.781 -33.283 1.00 0.00 O ATOM 220 ND2 ASN A 22 -9.221 15.747 -32.541 1.00 0.00 N ATOM 0 H ASN A 22 -5.616 12.468 -30.334 1.00 0.00 H new ATOM 0 HA ASN A 22 -6.173 13.859 -31.978 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -8.445 13.481 -30.551 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -8.295 15.214 -30.341 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -9.631 15.986 -33.444 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -9.314 16.388 -31.753 1.00 0.00 H new ATOM 227 N ILE A 23 -4.647 15.639 -30.295 1.00 0.00 N ATOM 228 CA ILE A 23 -3.955 16.885 -30.013 1.00 0.00 C ATOM 229 C ILE A 23 -3.098 17.272 -31.219 1.00 0.00 C ATOM 230 O ILE A 23 -2.142 16.575 -31.555 1.00 0.00 O ATOM 231 CB ILE A 23 -3.165 16.774 -28.707 1.00 0.00 C ATOM 232 CG1 ILE A 23 -3.898 15.892 -27.695 1.00 0.00 C ATOM 233 CG2 ILE A 23 -2.849 18.159 -28.138 1.00 0.00 C ATOM 234 CD1 ILE A 23 -3.020 15.611 -26.474 1.00 0.00 C ATOM 0 H ILE A 23 -4.103 14.797 -30.106 1.00 0.00 H new ATOM 0 HA ILE A 23 -4.671 17.692 -29.859 1.00 0.00 H new ATOM 0 HB ILE A 23 -2.213 16.290 -28.924 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -4.819 16.383 -27.380 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -4.183 14.951 -28.166 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -2.287 18.052 -27.210 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -2.255 18.722 -28.859 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -3.779 18.692 -27.939 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -3.566 14.982 -25.771 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -2.111 15.099 -26.790 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -2.757 16.552 -25.991 1.00 0.00 H new ATOM 246 N PRO A 24 -3.481 18.412 -31.854 1.00 0.00 N ATOM 247 CA PRO A 24 -2.758 18.900 -33.017 1.00 0.00 C ATOM 248 C PRO A 24 -1.427 19.534 -32.608 1.00 0.00 C ATOM 249 O PRO A 24 -1.196 19.796 -31.429 1.00 0.00 O ATOM 250 CB PRO A 24 -3.705 19.884 -33.684 1.00 0.00 C ATOM 251 CG PRO A 24 -4.730 20.260 -32.625 1.00 0.00 C ATOM 252 CD PRO A 24 -4.608 19.263 -31.484 1.00 0.00 C ATOM 0 HA PRO A 24 -2.483 18.102 -33.707 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -3.168 20.764 -34.038 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -4.187 19.435 -34.552 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -4.554 21.274 -32.266 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -5.736 20.240 -33.043 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -4.428 19.768 -30.535 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -5.522 18.681 -31.367 1.00 0.00 H new ATOM 260 N TYR A 25 -0.586 19.762 -33.606 1.00 0.00 N ATOM 261 CA TYR A 25 0.716 20.360 -33.366 1.00 0.00 C ATOM 262 C TYR A 25 0.575 21.806 -32.885 1.00 0.00 C ATOM 263 O TYR A 25 1.555 22.428 -32.480 1.00 0.00 O ATOM 264 CB TYR A 25 1.439 20.352 -34.714 1.00 0.00 C ATOM 265 CG TYR A 25 2.051 18.999 -35.083 1.00 0.00 C ATOM 266 CD1 TYR A 25 1.680 17.863 -34.393 1.00 0.00 C ATOM 267 CD2 TYR A 25 2.972 18.915 -36.107 1.00 0.00 C ATOM 268 CE1 TYR A 25 2.256 16.589 -34.741 1.00 0.00 C ATOM 269 CE2 TYR A 25 3.547 17.641 -36.455 1.00 0.00 C ATOM 270 CZ TYR A 25 3.161 16.541 -35.755 1.00 0.00 C ATOM 271 OH TYR A 25 3.704 15.339 -36.083 1.00 0.00 O ATOM 0 H TYR A 25 -0.781 19.543 -34.583 1.00 0.00 H new ATOM 0 HA TYR A 25 1.257 19.806 -32.598 1.00 0.00 H new ATOM 0 HB2 TYR A 25 0.736 20.646 -35.494 1.00 0.00 H new ATOM 0 HB3 TYR A 25 2.228 21.104 -34.696 1.00 0.00 H new ATOM 0 HD1 TYR A 25 0.958 17.929 -33.592 1.00 0.00 H new ATOM 0 HD2 TYR A 25 3.262 19.804 -36.647 1.00 0.00 H new ATOM 0 HE1 TYR A 25 1.975 15.692 -34.209 1.00 0.00 H new ATOM 0 HE2 TYR A 25 4.269 17.561 -37.254 1.00 0.00 H new ATOM 0 HH TYR A 25 3.789 14.788 -35.277 1.00 0.00 H new ATOM 281 N GLU A 26 -0.654 22.299 -32.946 1.00 0.00 N ATOM 282 CA GLU A 26 -0.936 23.660 -32.523 1.00 0.00 C ATOM 283 C GLU A 26 -1.334 23.684 -31.045 1.00 0.00 C ATOM 284 O GLU A 26 -1.405 24.750 -30.435 1.00 0.00 O ATOM 285 CB GLU A 26 -2.024 24.291 -33.394 1.00 0.00 C ATOM 286 CG GLU A 26 -1.418 25.259 -34.412 1.00 0.00 C ATOM 287 CD GLU A 26 -2.316 26.483 -34.606 1.00 0.00 C ATOM 288 OE1 GLU A 26 -2.903 26.922 -33.593 1.00 0.00 O ATOM 289 OE2 GLU A 26 -2.395 26.952 -35.762 1.00 0.00 O ATOM 0 H GLU A 26 -1.465 21.780 -33.282 1.00 0.00 H new ATOM 0 HA GLU A 26 -0.030 24.253 -32.645 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -2.577 23.509 -33.915 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -2.738 24.821 -32.763 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -0.432 25.577 -34.074 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -1.280 24.750 -35.366 1.00 0.00 H new ATOM 296 N ALA A 27 -1.583 22.497 -30.513 1.00 0.00 N ATOM 297 CA ALA A 27 -1.971 22.368 -29.119 1.00 0.00 C ATOM 298 C ALA A 27 -0.895 21.585 -28.364 1.00 0.00 C ATOM 299 O ALA A 27 -0.899 20.355 -28.369 1.00 0.00 O ATOM 300 CB ALA A 27 -3.346 21.703 -29.031 1.00 0.00 C ATOM 0 H ALA A 27 -1.524 21.615 -31.022 1.00 0.00 H new ATOM 0 HA ALA A 27 -2.053 23.349 -28.652 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -3.637 21.606 -27.985 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -4.080 22.314 -29.557 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -3.302 20.715 -29.488 1.00 0.00 H new ATOM 306 N THR A 28 0.000 22.330 -27.732 1.00 0.00 N ATOM 307 CA THR A 28 1.079 21.721 -26.974 1.00 0.00 C ATOM 308 C THR A 28 0.651 21.496 -25.522 1.00 0.00 C ATOM 309 O THR A 28 -0.429 21.923 -25.117 1.00 0.00 O ATOM 310 CB THR A 28 2.315 22.613 -27.112 1.00 0.00 C ATOM 311 OG1 THR A 28 2.113 23.298 -28.344 1.00 0.00 O ATOM 312 CG2 THR A 28 3.596 21.807 -27.339 1.00 0.00 C ATOM 0 H THR A 28 -0.000 23.350 -27.730 1.00 0.00 H new ATOM 0 HA THR A 28 1.327 20.733 -27.363 1.00 0.00 H new ATOM 0 HB THR A 28 2.424 23.223 -26.215 1.00 0.00 H new ATOM 0 HG1 THR A 28 2.868 23.900 -28.511 1.00 0.00 H new ATOM 0 HG21 THR A 28 4.443 22.487 -27.430 1.00 0.00 H new ATOM 0 HG22 THR A 28 3.758 21.137 -26.495 1.00 0.00 H new ATOM 0 HG23 THR A 28 3.501 21.222 -28.254 1.00 0.00 H new ATOM 320 N GLU A 29 1.520 20.827 -24.780 1.00 0.00 N ATOM 321 CA GLU A 29 1.245 20.540 -23.382 1.00 0.00 C ATOM 322 C GLU A 29 1.016 21.840 -22.608 1.00 0.00 C ATOM 323 O GLU A 29 0.258 21.865 -21.640 1.00 0.00 O ATOM 324 CB GLU A 29 2.378 19.723 -22.757 1.00 0.00 C ATOM 325 CG GLU A 29 2.133 18.223 -22.933 1.00 0.00 C ATOM 326 CD GLU A 29 3.196 17.404 -22.198 1.00 0.00 C ATOM 327 OE1 GLU A 29 4.043 18.039 -21.534 1.00 0.00 O ATOM 328 OE2 GLU A 29 3.137 16.161 -22.317 1.00 0.00 O ATOM 0 H GLU A 29 2.415 20.475 -25.120 1.00 0.00 H new ATOM 0 HA GLU A 29 0.336 19.942 -23.326 1.00 0.00 H new ATOM 0 HB2 GLU A 29 3.327 19.997 -23.219 1.00 0.00 H new ATOM 0 HB3 GLU A 29 2.460 19.960 -21.696 1.00 0.00 H new ATOM 0 HG2 GLU A 29 1.144 17.965 -22.554 1.00 0.00 H new ATOM 0 HG3 GLU A 29 2.144 17.971 -23.993 1.00 0.00 H new ATOM 335 N GLU A 30 1.686 22.888 -23.065 1.00 0.00 N ATOM 336 CA GLU A 30 1.565 24.189 -22.428 1.00 0.00 C ATOM 337 C GLU A 30 0.135 24.716 -22.565 1.00 0.00 C ATOM 338 O GLU A 30 -0.364 25.405 -21.677 1.00 0.00 O ATOM 339 CB GLU A 30 2.573 25.181 -23.010 1.00 0.00 C ATOM 340 CG GLU A 30 3.846 25.230 -22.163 1.00 0.00 C ATOM 341 CD GLU A 30 3.979 26.577 -21.450 1.00 0.00 C ATOM 342 OE1 GLU A 30 4.064 27.595 -22.171 1.00 0.00 O ATOM 343 OE2 GLU A 30 3.992 26.559 -20.200 1.00 0.00 O ATOM 0 H GLU A 30 2.314 22.863 -23.868 1.00 0.00 H new ATOM 0 HA GLU A 30 1.789 24.075 -21.368 1.00 0.00 H new ATOM 0 HB2 GLU A 30 2.823 24.894 -24.032 1.00 0.00 H new ATOM 0 HB3 GLU A 30 2.125 26.174 -23.058 1.00 0.00 H new ATOM 0 HG2 GLU A 30 3.829 24.426 -21.428 1.00 0.00 H new ATOM 0 HG3 GLU A 30 4.716 25.063 -22.798 1.00 0.00 H new ATOM 350 N GLN A 31 -0.483 24.373 -23.686 1.00 0.00 N ATOM 351 CA GLN A 31 -1.845 24.803 -23.951 1.00 0.00 C ATOM 352 C GLN A 31 -2.842 23.829 -23.318 1.00 0.00 C ATOM 353 O GLN A 31 -3.825 24.250 -22.710 1.00 0.00 O ATOM 354 CB GLN A 31 -2.094 24.942 -25.454 1.00 0.00 C ATOM 355 CG GLN A 31 -1.033 25.832 -26.105 1.00 0.00 C ATOM 356 CD GLN A 31 -1.544 26.421 -27.421 1.00 0.00 C ATOM 357 OE1 GLN A 31 -1.054 26.120 -28.497 1.00 0.00 O ATOM 358 NE2 GLN A 31 -2.554 27.274 -27.276 1.00 0.00 N ATOM 0 H GLN A 31 -0.065 23.802 -24.421 1.00 0.00 H new ATOM 0 HA GLN A 31 -1.989 25.785 -23.500 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -2.084 23.957 -25.921 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -3.084 25.365 -25.625 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -0.761 26.638 -25.423 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -0.129 25.251 -26.289 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -2.917 27.482 -26.346 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -2.966 27.721 -28.095 1.00 0.00 H new ATOM 367 N LEU A 32 -2.553 22.547 -23.483 1.00 0.00 N ATOM 368 CA LEU A 32 -3.412 21.510 -22.935 1.00 0.00 C ATOM 369 C LEU A 32 -3.477 21.659 -21.414 1.00 0.00 C ATOM 370 O LEU A 32 -4.561 21.654 -20.832 1.00 0.00 O ATOM 371 CB LEU A 32 -2.946 20.128 -23.399 1.00 0.00 C ATOM 372 CG LEU A 32 -3.416 19.694 -24.788 1.00 0.00 C ATOM 373 CD1 LEU A 32 -2.909 20.655 -25.865 1.00 0.00 C ATOM 374 CD2 LEU A 32 -3.013 18.246 -25.076 1.00 0.00 C ATOM 0 H LEU A 32 -1.737 22.202 -23.988 1.00 0.00 H new ATOM 0 HA LEU A 32 -4.430 21.620 -23.310 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -1.856 20.110 -23.384 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -3.287 19.389 -22.674 1.00 0.00 H new ATOM 0 HG LEU A 32 -4.505 19.735 -24.807 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -3.258 20.323 -26.843 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -3.288 21.657 -25.666 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -1.819 20.671 -25.855 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -3.359 17.963 -26.070 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -1.928 18.154 -25.030 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -3.464 17.588 -24.333 1.00 0.00 H new ATOM 386 N LYS A 33 -2.303 21.787 -20.813 1.00 0.00 N ATOM 387 CA LYS A 33 -2.213 21.936 -19.370 1.00 0.00 C ATOM 388 C LYS A 33 -3.048 23.141 -18.934 1.00 0.00 C ATOM 389 O LYS A 33 -3.697 23.106 -17.889 1.00 0.00 O ATOM 390 CB LYS A 33 -0.750 22.010 -18.930 1.00 0.00 C ATOM 391 CG LYS A 33 -0.631 22.587 -17.518 1.00 0.00 C ATOM 392 CD LYS A 33 0.573 21.995 -16.783 1.00 0.00 C ATOM 393 CE LYS A 33 1.577 23.087 -16.405 1.00 0.00 C ATOM 394 NZ LYS A 33 1.563 23.320 -14.944 1.00 0.00 N ATOM 0 H LYS A 33 -1.406 21.791 -21.299 1.00 0.00 H new ATOM 0 HA LYS A 33 -2.629 21.062 -18.869 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -0.307 21.014 -18.958 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -0.187 22.629 -19.628 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -0.532 23.671 -17.572 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -1.542 22.378 -16.958 1.00 0.00 H new ATOM 0 HD2 LYS A 33 0.237 21.478 -15.884 1.00 0.00 H new ATOM 0 HD3 LYS A 33 1.060 21.252 -17.415 1.00 0.00 H new ATOM 0 HE2 LYS A 33 2.578 22.795 -16.723 1.00 0.00 H new ATOM 0 HE3 LYS A 33 1.333 24.011 -16.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 2.250 24.064 -14.704 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 0.612 23.619 -14.649 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 1.818 22.441 -14.450 1.00 0.00 H new ATOM 408 N ASP A 34 -3.005 24.180 -19.755 1.00 0.00 N ATOM 409 CA ASP A 34 -3.750 25.393 -19.467 1.00 0.00 C ATOM 410 C ASP A 34 -5.249 25.093 -19.525 1.00 0.00 C ATOM 411 O ASP A 34 -6.022 25.616 -18.724 1.00 0.00 O ATOM 412 CB ASP A 34 -3.447 26.484 -20.497 1.00 0.00 C ATOM 413 CG ASP A 34 -3.230 27.882 -19.914 1.00 0.00 C ATOM 414 OD1 ASP A 34 -2.860 27.948 -18.722 1.00 0.00 O ATOM 415 OD2 ASP A 34 -3.440 28.852 -20.674 1.00 0.00 O ATOM 0 H ASP A 34 -2.465 24.206 -20.620 1.00 0.00 H new ATOM 0 HA ASP A 34 -3.457 25.740 -18.476 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -2.556 26.198 -21.056 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -4.270 26.528 -21.210 1.00 0.00 H new ATOM 420 N ILE A 35 -5.615 24.250 -20.480 1.00 0.00 N ATOM 421 CA ILE A 35 -7.007 23.873 -20.652 1.00 0.00 C ATOM 422 C ILE A 35 -7.454 23.028 -19.458 1.00 0.00 C ATOM 423 O ILE A 35 -8.516 23.269 -18.885 1.00 0.00 O ATOM 424 CB ILE A 35 -7.213 23.185 -22.003 1.00 0.00 C ATOM 425 CG1 ILE A 35 -6.702 24.062 -23.148 1.00 0.00 C ATOM 426 CG2 ILE A 35 -8.676 22.784 -22.197 1.00 0.00 C ATOM 427 CD1 ILE A 35 -6.093 23.209 -24.263 1.00 0.00 C ATOM 0 H ILE A 35 -4.971 23.818 -21.142 1.00 0.00 H new ATOM 0 HA ILE A 35 -7.641 24.759 -20.671 1.00 0.00 H new ATOM 0 HB ILE A 35 -6.624 22.268 -22.012 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -7.522 24.658 -23.548 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -5.955 24.760 -22.770 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -8.795 22.297 -23.165 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -8.973 22.095 -21.406 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -9.305 23.673 -22.159 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -5.738 23.857 -25.064 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -5.258 22.633 -23.865 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -6.849 22.529 -24.655 1.00 0.00 H new ATOM 439 N PHE A 36 -6.621 22.056 -19.117 1.00 0.00 N ATOM 440 CA PHE A 36 -6.917 21.174 -18.001 1.00 0.00 C ATOM 441 C PHE A 36 -6.859 21.931 -16.673 1.00 0.00 C ATOM 442 O PHE A 36 -7.550 21.575 -15.720 1.00 0.00 O ATOM 443 CB PHE A 36 -5.847 20.080 -17.999 1.00 0.00 C ATOM 444 CG PHE A 36 -6.148 18.913 -18.941 1.00 0.00 C ATOM 445 CD1 PHE A 36 -6.577 19.155 -20.208 1.00 0.00 C ATOM 446 CD2 PHE A 36 -5.987 17.633 -18.510 1.00 0.00 C ATOM 447 CE1 PHE A 36 -6.856 18.072 -21.083 1.00 0.00 C ATOM 448 CE2 PHE A 36 -6.267 16.549 -19.385 1.00 0.00 C ATOM 449 CZ PHE A 36 -6.696 16.792 -20.652 1.00 0.00 C ATOM 0 H PHE A 36 -5.741 21.860 -19.594 1.00 0.00 H new ATOM 0 HA PHE A 36 -7.920 20.761 -18.109 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -4.890 20.521 -18.278 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -5.737 19.696 -16.985 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -6.706 20.172 -20.549 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -5.647 17.441 -17.503 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -7.195 18.265 -22.090 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -6.139 15.532 -19.044 1.00 0.00 H new ATOM 0 HZ PHE A 36 -6.910 15.968 -21.317 1.00 0.00 H new ATOM 459 N SER A 37 -6.026 22.962 -16.652 1.00 0.00 N ATOM 460 CA SER A 37 -5.868 23.772 -15.457 1.00 0.00 C ATOM 461 C SER A 37 -7.192 24.454 -15.108 1.00 0.00 C ATOM 462 O SER A 37 -7.491 24.674 -13.935 1.00 0.00 O ATOM 463 CB SER A 37 -4.765 24.817 -15.642 1.00 0.00 C ATOM 464 OG SER A 37 -5.177 25.883 -16.493 1.00 0.00 O ATOM 0 H SER A 37 -5.454 23.254 -17.444 1.00 0.00 H new ATOM 0 HA SER A 37 -5.577 23.117 -14.636 1.00 0.00 H new ATOM 0 HB2 SER A 37 -4.480 25.219 -14.670 1.00 0.00 H new ATOM 0 HB3 SER A 37 -3.880 24.339 -16.062 1.00 0.00 H new ATOM 0 HG SER A 37 -5.641 25.517 -17.275 1.00 0.00 H new ATOM 470 N GLU A 38 -7.950 24.770 -16.148 1.00 0.00 N ATOM 471 CA GLU A 38 -9.236 25.422 -15.966 1.00 0.00 C ATOM 472 C GLU A 38 -10.192 24.507 -15.198 1.00 0.00 C ATOM 473 O GLU A 38 -11.256 24.942 -14.761 1.00 0.00 O ATOM 474 CB GLU A 38 -9.836 25.837 -17.311 1.00 0.00 C ATOM 475 CG GLU A 38 -8.743 26.283 -18.284 1.00 0.00 C ATOM 476 CD GLU A 38 -9.129 27.590 -18.980 1.00 0.00 C ATOM 477 OE1 GLU A 38 -10.347 27.786 -19.184 1.00 0.00 O ATOM 478 OE2 GLU A 38 -8.198 28.363 -19.293 1.00 0.00 O ATOM 0 H GLU A 38 -7.698 24.587 -17.119 1.00 0.00 H new ATOM 0 HA GLU A 38 -9.082 26.328 -15.379 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -10.391 25.002 -17.739 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -10.548 26.649 -17.161 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -7.805 26.417 -17.746 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -8.575 25.506 -19.029 1.00 0.00 H new ATOM 485 N VAL A 39 -9.777 23.257 -15.056 1.00 0.00 N ATOM 486 CA VAL A 39 -10.583 22.277 -14.348 1.00 0.00 C ATOM 487 C VAL A 39 -10.011 22.071 -12.944 1.00 0.00 C ATOM 488 O VAL A 39 -10.617 21.393 -12.116 1.00 0.00 O ATOM 489 CB VAL A 39 -10.662 20.981 -15.158 1.00 0.00 C ATOM 490 CG1 VAL A 39 -11.532 19.942 -14.447 1.00 0.00 C ATOM 491 CG2 VAL A 39 -11.175 21.250 -16.574 1.00 0.00 C ATOM 0 H VAL A 39 -8.893 22.900 -15.419 1.00 0.00 H new ATOM 0 HA VAL A 39 -11.606 22.635 -14.233 1.00 0.00 H new ATOM 0 HB VAL A 39 -9.654 20.574 -15.239 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -11.571 19.031 -15.044 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -11.105 19.717 -13.470 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -12.540 20.337 -14.321 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -11.222 20.313 -17.128 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -12.170 21.691 -16.523 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -10.499 21.938 -17.081 1.00 0.00 H new ATOM 501 N GLY A 40 -8.850 22.668 -12.719 1.00 0.00 N ATOM 502 CA GLY A 40 -8.189 22.558 -11.430 1.00 0.00 C ATOM 503 C GLY A 40 -6.669 22.626 -11.585 1.00 0.00 C ATOM 504 O GLY A 40 -6.165 22.983 -12.649 1.00 0.00 O ATOM 0 H GLY A 40 -8.350 23.230 -13.408 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -8.527 23.360 -10.774 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -8.468 21.618 -10.954 1.00 0.00 H new ATOM 508 N PRO A 41 -5.961 22.267 -10.480 1.00 0.00 N ATOM 509 CA PRO A 41 -4.508 22.284 -10.484 1.00 0.00 C ATOM 510 C PRO A 41 -3.949 21.096 -11.270 1.00 0.00 C ATOM 511 O PRO A 41 -4.428 19.972 -11.129 1.00 0.00 O ATOM 512 CB PRO A 41 -4.111 22.265 -9.017 1.00 0.00 C ATOM 513 CG PRO A 41 -5.334 21.772 -8.260 1.00 0.00 C ATOM 514 CD PRO A 41 -6.524 21.839 -9.203 1.00 0.00 C ATOM 0 HA PRO A 41 -4.098 23.162 -10.983 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -3.258 21.607 -8.852 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -3.817 23.259 -8.679 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -5.181 20.751 -7.911 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -5.511 22.387 -7.378 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -7.014 20.870 -9.291 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -7.274 22.544 -8.845 1.00 0.00 H new ATOM 522 N VAL A 42 -2.942 21.386 -12.081 1.00 0.00 N ATOM 523 CA VAL A 42 -2.312 20.356 -12.889 1.00 0.00 C ATOM 524 C VAL A 42 -0.943 20.015 -12.296 1.00 0.00 C ATOM 525 O VAL A 42 -0.089 20.888 -12.155 1.00 0.00 O ATOM 526 CB VAL A 42 -2.235 20.809 -14.348 1.00 0.00 C ATOM 527 CG1 VAL A 42 -1.428 19.818 -15.189 1.00 0.00 C ATOM 528 CG2 VAL A 42 -3.634 21.013 -14.933 1.00 0.00 C ATOM 0 H VAL A 42 -2.547 22.319 -12.196 1.00 0.00 H new ATOM 0 HA VAL A 42 -2.908 19.444 -12.877 1.00 0.00 H new ATOM 0 HB VAL A 42 -1.718 21.768 -14.374 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -1.389 20.164 -16.222 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -0.415 19.745 -14.793 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -1.904 18.838 -15.153 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -3.551 21.335 -15.971 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -4.188 20.075 -14.887 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -4.161 21.774 -14.358 1.00 0.00 H new ATOM 538 N VAL A 43 -0.777 18.742 -11.966 1.00 0.00 N ATOM 539 CA VAL A 43 0.473 18.275 -11.392 1.00 0.00 C ATOM 540 C VAL A 43 1.560 18.289 -12.468 1.00 0.00 C ATOM 541 O VAL A 43 2.567 18.983 -12.330 1.00 0.00 O ATOM 542 CB VAL A 43 0.276 16.896 -10.759 1.00 0.00 C ATOM 543 CG1 VAL A 43 1.616 16.285 -10.346 1.00 0.00 C ATOM 544 CG2 VAL A 43 -0.683 16.971 -9.569 1.00 0.00 C ATOM 0 H VAL A 43 -1.488 18.020 -12.085 1.00 0.00 H new ATOM 0 HA VAL A 43 0.798 18.941 -10.593 1.00 0.00 H new ATOM 0 HB VAL A 43 -0.171 16.244 -11.509 1.00 0.00 H new ATOM 0 HG11 VAL A 43 1.447 15.305 -9.899 1.00 0.00 H new ATOM 0 HG12 VAL A 43 2.253 16.178 -11.224 1.00 0.00 H new ATOM 0 HG13 VAL A 43 2.104 16.935 -9.620 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -0.806 15.978 -9.137 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -0.276 17.646 -8.816 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -1.651 17.343 -9.905 1.00 0.00 H new ATOM 554 N SER A 44 1.321 17.514 -13.516 1.00 0.00 N ATOM 555 CA SER A 44 2.267 17.428 -14.615 1.00 0.00 C ATOM 556 C SER A 44 1.570 16.883 -15.863 1.00 0.00 C ATOM 557 O SER A 44 0.480 16.320 -15.774 1.00 0.00 O ATOM 558 CB SER A 44 3.462 16.548 -14.246 1.00 0.00 C ATOM 559 OG SER A 44 4.685 17.062 -14.766 1.00 0.00 O ATOM 0 H SER A 44 0.485 16.940 -13.627 1.00 0.00 H new ATOM 0 HA SER A 44 2.641 18.430 -14.824 1.00 0.00 H new ATOM 0 HB2 SER A 44 3.534 16.470 -13.161 1.00 0.00 H new ATOM 0 HB3 SER A 44 3.301 15.540 -14.628 1.00 0.00 H new ATOM 0 HG SER A 44 5.424 16.473 -14.507 1.00 0.00 H new ATOM 565 N PHE A 45 2.229 17.068 -16.998 1.00 0.00 N ATOM 566 CA PHE A 45 1.687 16.601 -18.263 1.00 0.00 C ATOM 567 C PHE A 45 2.798 16.082 -19.177 1.00 0.00 C ATOM 568 O PHE A 45 3.734 16.812 -19.500 1.00 0.00 O ATOM 569 CB PHE A 45 1.012 17.801 -18.931 1.00 0.00 C ATOM 570 CG PHE A 45 -0.068 17.422 -19.946 1.00 0.00 C ATOM 571 CD1 PHE A 45 0.169 16.441 -20.857 1.00 0.00 C ATOM 572 CD2 PHE A 45 -1.265 18.067 -19.937 1.00 0.00 C ATOM 573 CE1 PHE A 45 -0.833 16.090 -21.799 1.00 0.00 C ATOM 574 CE2 PHE A 45 -2.268 17.716 -20.879 1.00 0.00 C ATOM 575 CZ PHE A 45 -2.031 16.734 -21.791 1.00 0.00 C ATOM 0 H PHE A 45 3.133 17.535 -17.068 1.00 0.00 H new ATOM 0 HA PHE A 45 0.986 15.785 -18.089 1.00 0.00 H new ATOM 0 HB2 PHE A 45 0.567 18.430 -18.160 1.00 0.00 H new ATOM 0 HB3 PHE A 45 1.772 18.400 -19.432 1.00 0.00 H new ATOM 0 HD1 PHE A 45 1.120 15.929 -20.864 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -1.453 18.846 -19.213 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -0.644 15.311 -22.523 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -3.219 18.228 -20.872 1.00 0.00 H new ATOM 0 HZ PHE A 45 -2.793 16.466 -22.508 1.00 0.00 H new ATOM 585 N ARG A 46 2.658 14.824 -19.570 1.00 0.00 N ATOM 586 CA ARG A 46 3.638 14.198 -20.441 1.00 0.00 C ATOM 587 C ARG A 46 2.939 13.474 -21.593 1.00 0.00 C ATOM 588 O ARG A 46 1.993 12.718 -21.373 1.00 0.00 O ATOM 589 CB ARG A 46 4.502 13.199 -19.669 1.00 0.00 C ATOM 590 CG ARG A 46 5.476 13.922 -18.737 1.00 0.00 C ATOM 591 CD ARG A 46 6.729 14.369 -19.493 1.00 0.00 C ATOM 592 NE ARG A 46 7.865 13.479 -19.161 1.00 0.00 N ATOM 593 CZ ARG A 46 9.090 13.595 -19.692 1.00 0.00 C ATOM 594 NH1 ARG A 46 9.345 14.563 -20.583 1.00 0.00 N ATOM 595 NH2 ARG A 46 10.059 12.743 -19.332 1.00 0.00 N ATOM 0 H ARG A 46 1.880 14.221 -19.301 1.00 0.00 H new ATOM 0 HA ARG A 46 4.279 14.985 -20.838 1.00 0.00 H new ATOM 0 HB2 ARG A 46 3.864 12.533 -19.088 1.00 0.00 H new ATOM 0 HB3 ARG A 46 5.058 12.576 -20.370 1.00 0.00 H new ATOM 0 HG2 ARG A 46 4.986 14.789 -18.294 1.00 0.00 H new ATOM 0 HG3 ARG A 46 5.758 13.262 -17.917 1.00 0.00 H new ATOM 0 HD2 ARG A 46 6.542 14.349 -20.567 1.00 0.00 H new ATOM 0 HD3 ARG A 46 6.974 15.398 -19.231 1.00 0.00 H new ATOM 0 HE ARG A 46 7.705 12.731 -18.486 1.00 0.00 H new ATOM 0 HH11 ARG A 46 8.607 15.211 -20.857 1.00 0.00 H new ATOM 0 HH12 ARG A 46 10.277 14.651 -20.987 1.00 0.00 H new ATOM 0 HH21 ARG A 46 9.864 12.006 -18.654 1.00 0.00 H new ATOM 0 HH22 ARG A 46 10.991 12.831 -19.736 1.00 0.00 H new ATOM 609 N LEU A 47 3.431 13.730 -22.796 1.00 0.00 N ATOM 610 CA LEU A 47 2.865 13.111 -23.983 1.00 0.00 C ATOM 611 C LEU A 47 3.959 12.337 -24.720 1.00 0.00 C ATOM 612 O LEU A 47 5.115 12.335 -24.299 1.00 0.00 O ATOM 613 CB LEU A 47 2.162 14.159 -24.850 1.00 0.00 C ATOM 614 CG LEU A 47 3.032 15.320 -25.336 1.00 0.00 C ATOM 615 CD1 LEU A 47 4.182 14.814 -26.210 1.00 0.00 C ATOM 616 CD2 LEU A 47 2.188 16.375 -26.053 1.00 0.00 C ATOM 0 H LEU A 47 4.215 14.357 -22.975 1.00 0.00 H new ATOM 0 HA LEU A 47 2.095 12.390 -23.707 1.00 0.00 H new ATOM 0 HB2 LEU A 47 1.740 13.657 -25.721 1.00 0.00 H new ATOM 0 HB3 LEU A 47 1.326 14.570 -24.283 1.00 0.00 H new ATOM 0 HG LEU A 47 3.477 15.802 -24.465 1.00 0.00 H new ATOM 0 HD11 LEU A 47 4.785 15.659 -26.542 1.00 0.00 H new ATOM 0 HD12 LEU A 47 4.803 14.129 -25.633 1.00 0.00 H new ATOM 0 HD13 LEU A 47 3.777 14.293 -27.078 1.00 0.00 H new ATOM 0 HD21 LEU A 47 2.831 17.189 -26.388 1.00 0.00 H new ATOM 0 HD22 LEU A 47 1.696 15.923 -26.914 1.00 0.00 H new ATOM 0 HD23 LEU A 47 1.435 16.766 -25.368 1.00 0.00 H new ATOM 628 N VAL A 48 3.556 11.697 -25.808 1.00 0.00 N ATOM 629 CA VAL A 48 4.487 10.920 -26.608 1.00 0.00 C ATOM 630 C VAL A 48 5.171 11.839 -27.623 1.00 0.00 C ATOM 631 O VAL A 48 4.505 12.465 -28.446 1.00 0.00 O ATOM 632 CB VAL A 48 3.761 9.743 -27.262 1.00 0.00 C ATOM 633 CG1 VAL A 48 3.525 8.616 -26.254 1.00 0.00 C ATOM 634 CG2 VAL A 48 2.444 10.195 -27.896 1.00 0.00 C ATOM 0 H VAL A 48 2.597 11.701 -26.154 1.00 0.00 H new ATOM 0 HA VAL A 48 5.267 10.493 -25.978 1.00 0.00 H new ATOM 0 HB VAL A 48 4.399 9.355 -28.056 1.00 0.00 H new ATOM 0 HG11 VAL A 48 3.007 7.792 -26.744 1.00 0.00 H new ATOM 0 HG12 VAL A 48 4.483 8.266 -25.869 1.00 0.00 H new ATOM 0 HG13 VAL A 48 2.917 8.987 -25.429 1.00 0.00 H new ATOM 0 HG21 VAL A 48 1.948 9.339 -28.354 1.00 0.00 H new ATOM 0 HG22 VAL A 48 1.798 10.621 -27.128 1.00 0.00 H new ATOM 0 HG23 VAL A 48 2.646 10.947 -28.658 1.00 0.00 H new ATOM 644 N TYR A 49 6.492 11.891 -27.530 1.00 0.00 N ATOM 645 CA TYR A 49 7.273 12.722 -28.430 1.00 0.00 C ATOM 646 C TYR A 49 8.312 11.890 -29.183 1.00 0.00 C ATOM 647 O TYR A 49 9.185 11.278 -28.570 1.00 0.00 O ATOM 648 CB TYR A 49 7.996 13.738 -27.544 1.00 0.00 C ATOM 649 CG TYR A 49 7.382 15.140 -27.575 1.00 0.00 C ATOM 650 CD1 TYR A 49 7.329 15.843 -28.761 1.00 0.00 C ATOM 651 CD2 TYR A 49 6.882 15.700 -26.417 1.00 0.00 C ATOM 652 CE1 TYR A 49 6.752 17.162 -28.790 1.00 0.00 C ATOM 653 CE2 TYR A 49 6.304 17.018 -26.446 1.00 0.00 C ATOM 654 CZ TYR A 49 6.268 17.685 -27.631 1.00 0.00 C ATOM 655 OH TYR A 49 5.722 18.930 -27.659 1.00 0.00 O ATOM 0 H TYR A 49 7.041 11.371 -26.845 1.00 0.00 H new ATOM 0 HA TYR A 49 6.629 13.196 -29.171 1.00 0.00 H new ATOM 0 HB2 TYR A 49 7.994 13.375 -26.516 1.00 0.00 H new ATOM 0 HB3 TYR A 49 9.038 13.802 -27.858 1.00 0.00 H new ATOM 0 HD1 TYR A 49 7.720 15.404 -29.667 1.00 0.00 H new ATOM 0 HD2 TYR A 49 6.924 15.149 -25.489 1.00 0.00 H new ATOM 0 HE1 TYR A 49 6.705 17.724 -29.711 1.00 0.00 H new ATOM 0 HE2 TYR A 49 5.908 17.467 -25.547 1.00 0.00 H new ATOM 0 HH TYR A 49 5.417 19.174 -26.760 1.00 0.00 H new ATOM 665 N ASP A 50 8.183 11.893 -30.502 1.00 0.00 N ATOM 666 CA ASP A 50 9.100 11.145 -31.345 1.00 0.00 C ATOM 667 C ASP A 50 10.457 11.851 -31.366 1.00 0.00 C ATOM 668 O ASP A 50 10.595 12.922 -31.955 1.00 0.00 O ATOM 669 CB ASP A 50 8.585 11.067 -32.784 1.00 0.00 C ATOM 670 CG ASP A 50 7.104 10.713 -32.923 1.00 0.00 C ATOM 671 OD1 ASP A 50 6.725 9.642 -32.400 1.00 0.00 O ATOM 672 OD2 ASP A 50 6.383 11.520 -33.549 1.00 0.00 O ATOM 0 H ASP A 50 7.457 12.402 -31.007 1.00 0.00 H new ATOM 0 HA ASP A 50 9.188 10.138 -30.938 1.00 0.00 H new ATOM 0 HB2 ASP A 50 8.760 12.027 -33.269 1.00 0.00 H new ATOM 0 HB3 ASP A 50 9.173 10.325 -33.324 1.00 0.00 H new ATOM 677 N ARG A 51 11.425 11.222 -30.716 1.00 0.00 N ATOM 678 CA ARG A 51 12.767 11.777 -30.653 1.00 0.00 C ATOM 679 C ARG A 51 13.471 11.618 -32.002 1.00 0.00 C ATOM 680 O ARG A 51 14.321 12.431 -32.362 1.00 0.00 O ATOM 681 CB ARG A 51 13.597 11.088 -29.568 1.00 0.00 C ATOM 682 CG ARG A 51 13.163 11.545 -28.173 1.00 0.00 C ATOM 683 CD ARG A 51 14.023 10.891 -27.090 1.00 0.00 C ATOM 684 NE ARG A 51 14.695 11.931 -26.280 1.00 0.00 N ATOM 685 CZ ARG A 51 15.562 11.671 -25.292 1.00 0.00 C ATOM 686 NH1 ARG A 51 15.868 10.403 -24.986 1.00 0.00 N ATOM 687 NH2 ARG A 51 16.124 12.679 -24.611 1.00 0.00 N ATOM 0 H ARG A 51 11.307 10.334 -30.228 1.00 0.00 H new ATOM 0 HA ARG A 51 12.677 12.835 -30.409 1.00 0.00 H new ATOM 0 HB2 ARG A 51 13.486 10.007 -29.651 1.00 0.00 H new ATOM 0 HB3 ARG A 51 14.653 11.312 -29.716 1.00 0.00 H new ATOM 0 HG2 ARG A 51 13.243 12.630 -28.100 1.00 0.00 H new ATOM 0 HG3 ARG A 51 12.115 11.291 -28.013 1.00 0.00 H new ATOM 0 HD2 ARG A 51 13.402 10.265 -26.450 1.00 0.00 H new ATOM 0 HD3 ARG A 51 14.766 10.239 -27.549 1.00 0.00 H new ATOM 0 HE ARG A 51 14.485 12.908 -26.487 1.00 0.00 H new ATOM 0 HH11 ARG A 51 15.441 9.636 -25.505 1.00 0.00 H new ATOM 0 HH12 ARG A 51 16.528 10.205 -24.234 1.00 0.00 H new ATOM 0 HH21 ARG A 51 15.892 13.644 -24.845 1.00 0.00 H new ATOM 0 HH22 ARG A 51 16.784 12.481 -23.859 1.00 0.00 H new ATOM 701 N GLU A 52 13.093 10.564 -32.710 1.00 0.00 N ATOM 702 CA GLU A 52 13.677 10.288 -34.012 1.00 0.00 C ATOM 703 C GLU A 52 13.197 11.316 -35.038 1.00 0.00 C ATOM 704 O GLU A 52 13.930 11.665 -35.962 1.00 0.00 O ATOM 705 CB GLU A 52 13.352 8.864 -34.468 1.00 0.00 C ATOM 706 CG GLU A 52 14.588 7.966 -34.382 1.00 0.00 C ATOM 707 CD GLU A 52 14.503 6.820 -35.393 1.00 0.00 C ATOM 708 OE1 GLU A 52 13.574 5.998 -35.243 1.00 0.00 O ATOM 709 OE2 GLU A 52 15.370 6.793 -36.294 1.00 0.00 O ATOM 0 H GLU A 52 12.389 9.891 -32.407 1.00 0.00 H new ATOM 0 HA GLU A 52 14.761 10.368 -33.927 1.00 0.00 H new ATOM 0 HB2 GLU A 52 12.555 8.453 -33.848 1.00 0.00 H new ATOM 0 HB3 GLU A 52 12.982 8.882 -35.493 1.00 0.00 H new ATOM 0 HG2 GLU A 52 15.485 8.556 -34.570 1.00 0.00 H new ATOM 0 HG3 GLU A 52 14.679 7.561 -33.374 1.00 0.00 H new ATOM 716 N THR A 53 11.969 11.772 -34.842 1.00 0.00 N ATOM 717 CA THR A 53 11.382 12.752 -35.739 1.00 0.00 C ATOM 718 C THR A 53 11.203 14.092 -35.022 1.00 0.00 C ATOM 719 O THR A 53 10.662 15.038 -35.591 1.00 0.00 O ATOM 720 CB THR A 53 10.073 12.174 -36.281 1.00 0.00 C ATOM 721 OG1 THR A 53 9.568 11.389 -35.204 1.00 0.00 O ATOM 722 CG2 THR A 53 10.301 11.162 -37.405 1.00 0.00 C ATOM 0 H THR A 53 11.364 11.481 -34.074 1.00 0.00 H new ATOM 0 HA THR A 53 12.039 12.956 -36.585 1.00 0.00 H new ATOM 0 HB THR A 53 9.442 12.984 -36.645 1.00 0.00 H new ATOM 0 HG1 THR A 53 8.601 11.271 -35.311 1.00 0.00 H new ATOM 0 HG21 THR A 53 9.340 10.783 -37.754 1.00 0.00 H new ATOM 0 HG22 THR A 53 10.821 11.647 -38.231 1.00 0.00 H new ATOM 0 HG23 THR A 53 10.904 10.334 -37.032 1.00 0.00 H new ATOM 730 N GLY A 54 11.669 14.130 -33.782 1.00 0.00 N ATOM 731 CA GLY A 54 11.568 15.337 -32.981 1.00 0.00 C ATOM 732 C GLY A 54 10.190 15.985 -33.136 1.00 0.00 C ATOM 733 O GLY A 54 10.040 17.189 -32.935 1.00 0.00 O ATOM 0 H GLY A 54 12.118 13.343 -33.313 1.00 0.00 H new ATOM 0 HA2 GLY A 54 11.745 15.098 -31.932 1.00 0.00 H new ATOM 0 HA3 GLY A 54 12.342 16.043 -33.282 1.00 0.00 H new ATOM 737 N LYS A 55 9.220 15.156 -33.493 1.00 0.00 N ATOM 738 CA LYS A 55 7.859 15.633 -33.678 1.00 0.00 C ATOM 739 C LYS A 55 6.937 14.929 -32.680 1.00 0.00 C ATOM 740 O LYS A 55 7.147 13.763 -32.352 1.00 0.00 O ATOM 741 CB LYS A 55 7.428 15.468 -35.136 1.00 0.00 C ATOM 742 CG LYS A 55 7.528 16.795 -35.891 1.00 0.00 C ATOM 743 CD LYS A 55 7.987 16.572 -37.333 1.00 0.00 C ATOM 744 CE LYS A 55 7.341 17.588 -38.278 1.00 0.00 C ATOM 745 NZ LYS A 55 7.057 16.968 -39.591 1.00 0.00 N ATOM 0 H LYS A 55 9.349 14.158 -33.659 1.00 0.00 H new ATOM 0 HA LYS A 55 7.797 16.701 -33.471 1.00 0.00 H new ATOM 0 HB2 LYS A 55 8.055 14.721 -35.622 1.00 0.00 H new ATOM 0 HB3 LYS A 55 6.403 15.099 -35.176 1.00 0.00 H new ATOM 0 HG2 LYS A 55 6.559 17.294 -35.887 1.00 0.00 H new ATOM 0 HG3 LYS A 55 8.229 17.456 -35.381 1.00 0.00 H new ATOM 0 HD2 LYS A 55 9.072 16.656 -37.390 1.00 0.00 H new ATOM 0 HD3 LYS A 55 7.729 15.561 -37.648 1.00 0.00 H new ATOM 0 HE2 LYS A 55 6.417 17.964 -37.840 1.00 0.00 H new ATOM 0 HE3 LYS A 55 8.003 18.444 -38.409 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 6.619 17.671 -40.220 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 7.945 16.630 -40.015 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 6.407 16.166 -39.463 1.00 0.00 H new ATOM 759 N PRO A 56 5.909 15.688 -32.214 1.00 0.00 N ATOM 760 CA PRO A 56 4.954 15.149 -31.261 1.00 0.00 C ATOM 761 C PRO A 56 3.980 14.188 -31.944 1.00 0.00 C ATOM 762 O PRO A 56 3.498 14.463 -33.042 1.00 0.00 O ATOM 763 CB PRO A 56 4.266 16.366 -30.663 1.00 0.00 C ATOM 764 CG PRO A 56 4.527 17.509 -31.630 1.00 0.00 C ATOM 765 CD PRO A 56 5.630 17.073 -32.581 1.00 0.00 C ATOM 0 HA PRO A 56 5.429 14.553 -30.482 1.00 0.00 H new ATOM 0 HB2 PRO A 56 3.197 16.191 -30.544 1.00 0.00 H new ATOM 0 HB3 PRO A 56 4.664 16.593 -29.674 1.00 0.00 H new ATOM 0 HG2 PRO A 56 3.621 17.755 -32.184 1.00 0.00 H new ATOM 0 HG3 PRO A 56 4.823 18.407 -31.088 1.00 0.00 H new ATOM 0 HD2 PRO A 56 5.311 17.151 -33.620 1.00 0.00 H new ATOM 0 HD3 PRO A 56 6.517 17.698 -32.472 1.00 0.00 H new ATOM 773 N LYS A 57 3.719 13.080 -31.266 1.00 0.00 N ATOM 774 CA LYS A 57 2.811 12.076 -31.794 1.00 0.00 C ATOM 775 C LYS A 57 1.433 12.704 -32.011 1.00 0.00 C ATOM 776 O LYS A 57 0.917 12.706 -33.128 1.00 0.00 O ATOM 777 CB LYS A 57 2.789 10.844 -30.887 1.00 0.00 C ATOM 778 CG LYS A 57 3.445 9.645 -31.575 1.00 0.00 C ATOM 779 CD LYS A 57 2.626 9.189 -32.784 1.00 0.00 C ATOM 780 CE LYS A 57 3.441 9.301 -34.073 1.00 0.00 C ATOM 781 NZ LYS A 57 3.835 7.959 -34.556 1.00 0.00 N ATOM 0 H LYS A 57 4.120 12.855 -30.356 1.00 0.00 H new ATOM 0 HA LYS A 57 3.157 11.723 -32.765 1.00 0.00 H new ATOM 0 HB2 LYS A 57 3.311 11.064 -29.956 1.00 0.00 H new ATOM 0 HB3 LYS A 57 1.760 10.599 -30.625 1.00 0.00 H new ATOM 0 HG2 LYS A 57 4.453 9.911 -31.894 1.00 0.00 H new ATOM 0 HG3 LYS A 57 3.542 8.823 -30.866 1.00 0.00 H new ATOM 0 HD2 LYS A 57 2.305 8.157 -32.642 1.00 0.00 H new ATOM 0 HD3 LYS A 57 1.724 9.795 -32.866 1.00 0.00 H new ATOM 0 HE2 LYS A 57 2.855 9.811 -34.837 1.00 0.00 H new ATOM 0 HE3 LYS A 57 4.330 9.906 -33.896 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 4.388 8.054 -35.432 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 4.412 7.485 -33.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 2.983 7.394 -34.744 1.00 0.00 H new ATOM 795 N GLY A 58 0.877 13.223 -30.926 1.00 0.00 N ATOM 796 CA GLY A 58 -0.431 13.853 -30.984 1.00 0.00 C ATOM 797 C GLY A 58 -1.260 13.511 -29.744 1.00 0.00 C ATOM 798 O GLY A 58 -2.258 14.171 -29.459 1.00 0.00 O ATOM 0 H GLY A 58 1.308 13.220 -30.002 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -0.315 14.934 -31.061 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -0.958 13.524 -31.880 1.00 0.00 H new ATOM 802 N TYR A 59 -0.815 12.480 -29.040 1.00 0.00 N ATOM 803 CA TYR A 59 -1.503 12.043 -27.837 1.00 0.00 C ATOM 804 C TYR A 59 -0.539 11.964 -26.652 1.00 0.00 C ATOM 805 O TYR A 59 0.670 11.835 -26.839 1.00 0.00 O ATOM 806 CB TYR A 59 -2.035 10.641 -28.142 1.00 0.00 C ATOM 807 CG TYR A 59 -0.951 9.639 -28.546 1.00 0.00 C ATOM 808 CD1 TYR A 59 -0.509 9.590 -29.852 1.00 0.00 C ATOM 809 CD2 TYR A 59 -0.417 8.784 -27.603 1.00 0.00 C ATOM 810 CE1 TYR A 59 0.511 8.647 -30.232 1.00 0.00 C ATOM 811 CE2 TYR A 59 0.603 7.841 -27.983 1.00 0.00 C ATOM 812 CZ TYR A 59 1.016 7.819 -29.279 1.00 0.00 C ATOM 813 OH TYR A 59 1.979 6.928 -29.638 1.00 0.00 O ATOM 0 H TYR A 59 0.013 11.935 -29.280 1.00 0.00 H new ATOM 0 HA TYR A 59 -2.296 12.743 -27.572 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -2.556 10.262 -27.263 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -2.770 10.709 -28.944 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -0.928 10.259 -30.589 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -0.764 8.822 -26.581 1.00 0.00 H new ATOM 0 HE1 TYR A 59 0.867 8.599 -31.251 1.00 0.00 H new ATOM 0 HE2 TYR A 59 1.030 7.167 -27.256 1.00 0.00 H new ATOM 0 HH TYR A 59 2.247 6.403 -28.855 1.00 0.00 H new ATOM 823 N GLY A 60 -1.110 12.043 -25.459 1.00 0.00 N ATOM 824 CA GLY A 60 -0.316 11.982 -24.244 1.00 0.00 C ATOM 825 C GLY A 60 -1.209 11.803 -23.014 1.00 0.00 C ATOM 826 O GLY A 60 -2.416 11.601 -23.143 1.00 0.00 O ATOM 0 H GLY A 60 -2.113 12.149 -25.308 1.00 0.00 H new ATOM 0 HA2 GLY A 60 0.391 11.155 -24.308 1.00 0.00 H new ATOM 0 HA3 GLY A 60 0.271 12.895 -24.142 1.00 0.00 H new ATOM 830 N PHE A 61 -0.582 11.884 -21.850 1.00 0.00 N ATOM 831 CA PHE A 61 -1.304 11.734 -20.599 1.00 0.00 C ATOM 832 C PHE A 61 -0.926 12.839 -19.611 1.00 0.00 C ATOM 833 O PHE A 61 0.248 13.184 -19.479 1.00 0.00 O ATOM 834 CB PHE A 61 -0.902 10.380 -20.010 1.00 0.00 C ATOM 835 CG PHE A 61 -1.186 9.192 -20.931 1.00 0.00 C ATOM 836 CD1 PHE A 61 -0.382 8.954 -22.002 1.00 0.00 C ATOM 837 CD2 PHE A 61 -2.243 8.374 -20.679 1.00 0.00 C ATOM 838 CE1 PHE A 61 -0.646 7.851 -22.856 1.00 0.00 C ATOM 839 CE2 PHE A 61 -2.507 7.271 -21.534 1.00 0.00 C ATOM 840 CZ PHE A 61 -1.702 7.033 -22.605 1.00 0.00 C ATOM 0 H PHE A 61 0.419 12.052 -21.747 1.00 0.00 H new ATOM 0 HA PHE A 61 -2.377 11.797 -20.779 1.00 0.00 H new ATOM 0 HB2 PHE A 61 0.162 10.399 -19.776 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -1.433 10.232 -19.069 1.00 0.00 H new ATOM 0 HD1 PHE A 61 0.457 9.604 -22.203 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -2.882 8.563 -19.829 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -0.007 7.662 -23.706 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -3.346 6.621 -21.334 1.00 0.00 H new ATOM 0 HZ PHE A 61 -1.902 6.194 -23.255 1.00 0.00 H new ATOM 850 N CYS A 62 -1.941 13.364 -18.941 1.00 0.00 N ATOM 851 CA CYS A 62 -1.730 14.423 -17.969 1.00 0.00 C ATOM 852 C CYS A 62 -2.097 13.885 -16.585 1.00 0.00 C ATOM 853 O CYS A 62 -3.195 13.366 -16.388 1.00 0.00 O ATOM 854 CB CYS A 62 -2.525 15.682 -18.322 1.00 0.00 C ATOM 855 SG CYS A 62 -1.996 17.074 -17.259 1.00 0.00 S ATOM 0 H CYS A 62 -2.913 13.075 -19.052 1.00 0.00 H new ATOM 0 HA CYS A 62 -0.682 14.722 -17.975 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -2.373 15.936 -19.371 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -3.591 15.498 -18.190 1.00 0.00 H new ATOM 0 HG CYS A 62 -1.399 17.972 -17.985 1.00 0.00 H new ATOM 861 N GLU A 63 -1.158 14.028 -15.661 1.00 0.00 N ATOM 862 CA GLU A 63 -1.369 13.562 -14.301 1.00 0.00 C ATOM 863 C GLU A 63 -1.771 14.730 -13.397 1.00 0.00 C ATOM 864 O GLU A 63 -1.124 15.776 -13.404 1.00 0.00 O ATOM 865 CB GLU A 63 -0.123 12.856 -13.763 1.00 0.00 C ATOM 866 CG GLU A 63 -0.096 12.881 -12.234 1.00 0.00 C ATOM 867 CD GLU A 63 0.698 11.696 -11.680 1.00 0.00 C ATOM 868 OE1 GLU A 63 1.945 11.777 -11.729 1.00 0.00 O ATOM 869 OE2 GLU A 63 0.041 10.737 -11.221 1.00 0.00 O ATOM 0 H GLU A 63 -0.249 14.460 -15.828 1.00 0.00 H new ATOM 0 HA GLU A 63 -2.182 12.836 -14.308 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -0.105 11.824 -14.114 1.00 0.00 H new ATOM 0 HB3 GLU A 63 0.771 13.341 -14.154 1.00 0.00 H new ATOM 0 HG2 GLU A 63 0.349 13.814 -11.890 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -1.115 12.853 -11.848 1.00 0.00 H new ATOM 876 N TYR A 64 -2.837 14.511 -12.641 1.00 0.00 N ATOM 877 CA TYR A 64 -3.333 15.532 -11.734 1.00 0.00 C ATOM 878 C TYR A 64 -2.870 15.263 -10.300 1.00 0.00 C ATOM 879 O TYR A 64 -2.009 14.416 -10.071 1.00 0.00 O ATOM 880 CB TYR A 64 -4.859 15.441 -11.790 1.00 0.00 C ATOM 881 CG TYR A 64 -5.501 16.378 -12.814 1.00 0.00 C ATOM 882 CD1 TYR A 64 -5.795 17.682 -12.468 1.00 0.00 C ATOM 883 CD2 TYR A 64 -5.787 15.921 -14.085 1.00 0.00 C ATOM 884 CE1 TYR A 64 -6.399 18.564 -13.432 1.00 0.00 C ATOM 885 CE2 TYR A 64 -6.392 16.803 -15.049 1.00 0.00 C ATOM 886 CZ TYR A 64 -6.668 18.081 -14.675 1.00 0.00 C ATOM 887 OH TYR A 64 -7.239 18.915 -15.585 1.00 0.00 O ATOM 0 H TYR A 64 -3.371 13.642 -12.638 1.00 0.00 H new ATOM 0 HA TYR A 64 -2.962 16.515 -12.023 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -5.143 14.415 -12.023 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -5.263 15.667 -10.803 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -5.572 18.040 -11.474 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -5.557 14.901 -14.356 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -6.633 19.586 -13.174 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -6.621 16.458 -16.046 1.00 0.00 H new ATOM 0 HH TYR A 64 -7.169 19.840 -15.270 1.00 0.00 H new ATOM 897 N GLN A 65 -3.463 16.001 -9.373 1.00 0.00 N ATOM 898 CA GLN A 65 -3.122 15.853 -7.968 1.00 0.00 C ATOM 899 C GLN A 65 -4.278 15.200 -7.208 1.00 0.00 C ATOM 900 O GLN A 65 -4.081 14.650 -6.125 1.00 0.00 O ATOM 901 CB GLN A 65 -2.751 17.202 -7.349 1.00 0.00 C ATOM 902 CG GLN A 65 -1.708 17.029 -6.243 1.00 0.00 C ATOM 903 CD GLN A 65 -2.274 17.451 -4.885 1.00 0.00 C ATOM 904 OE1 GLN A 65 -2.676 18.584 -4.677 1.00 0.00 O ATOM 905 NE2 GLN A 65 -2.283 16.480 -3.977 1.00 0.00 N ATOM 0 H GLN A 65 -4.177 16.703 -9.567 1.00 0.00 H new ATOM 0 HA GLN A 65 -2.250 15.204 -7.892 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -2.361 17.866 -8.121 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -3.643 17.677 -6.941 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -1.388 15.988 -6.200 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -0.825 17.625 -6.474 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -1.931 15.553 -4.218 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -2.642 16.662 -3.040 1.00 0.00 H new ATOM 914 N ASP A 66 -5.458 15.282 -7.804 1.00 0.00 N ATOM 915 CA ASP A 66 -6.646 14.706 -7.197 1.00 0.00 C ATOM 916 C ASP A 66 -7.460 13.978 -8.269 1.00 0.00 C ATOM 917 O ASP A 66 -7.620 14.481 -9.380 1.00 0.00 O ATOM 918 CB ASP A 66 -7.533 15.792 -6.585 1.00 0.00 C ATOM 919 CG ASP A 66 -6.825 17.115 -6.288 1.00 0.00 C ATOM 920 OD1 ASP A 66 -5.690 17.047 -5.768 1.00 0.00 O ATOM 921 OD2 ASP A 66 -7.434 18.164 -6.589 1.00 0.00 O ATOM 0 H ASP A 66 -5.617 15.739 -8.702 1.00 0.00 H new ATOM 0 HA ASP A 66 -6.325 14.019 -6.414 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -8.364 15.986 -7.263 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -7.961 15.410 -5.658 1.00 0.00 H new ATOM 926 N GLN A 67 -7.952 12.806 -7.897 1.00 0.00 N ATOM 927 CA GLN A 67 -8.746 12.003 -8.813 1.00 0.00 C ATOM 928 C GLN A 67 -9.957 12.800 -9.303 1.00 0.00 C ATOM 929 O GLN A 67 -10.333 12.709 -10.471 1.00 0.00 O ATOM 930 CB GLN A 67 -9.181 10.692 -8.157 1.00 0.00 C ATOM 931 CG GLN A 67 -9.093 9.528 -9.146 1.00 0.00 C ATOM 932 CD GLN A 67 -10.007 9.763 -10.351 1.00 0.00 C ATOM 933 OE1 GLN A 67 -11.030 10.422 -10.268 1.00 0.00 O ATOM 934 NE2 GLN A 67 -9.581 9.189 -11.473 1.00 0.00 N ATOM 0 H GLN A 67 -7.817 12.393 -6.974 1.00 0.00 H new ATOM 0 HA GLN A 67 -8.128 11.751 -9.675 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -8.550 10.487 -7.292 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -10.203 10.786 -7.791 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -8.063 9.410 -9.483 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -9.374 8.600 -8.647 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -8.715 8.650 -11.473 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -10.121 9.288 -12.333 1.00 0.00 H new ATOM 943 N GLU A 68 -10.534 13.562 -8.386 1.00 0.00 N ATOM 944 CA GLU A 68 -11.695 14.374 -8.711 1.00 0.00 C ATOM 945 C GLU A 68 -11.330 15.426 -9.761 1.00 0.00 C ATOM 946 O GLU A 68 -12.128 15.723 -10.649 1.00 0.00 O ATOM 947 CB GLU A 68 -12.273 15.030 -7.455 1.00 0.00 C ATOM 948 CG GLU A 68 -13.415 15.984 -7.812 1.00 0.00 C ATOM 949 CD GLU A 68 -13.741 16.911 -6.639 1.00 0.00 C ATOM 950 OE1 GLU A 68 -14.103 16.371 -5.572 1.00 0.00 O ATOM 951 OE2 GLU A 68 -13.621 18.139 -6.837 1.00 0.00 O ATOM 0 H GLU A 68 -10.220 13.635 -7.418 1.00 0.00 H new ATOM 0 HA GLU A 68 -12.464 13.724 -9.129 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -12.636 14.261 -6.773 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -11.488 15.576 -6.931 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -13.139 16.578 -8.684 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -14.301 15.411 -8.084 1.00 0.00 H new ATOM 958 N THR A 69 -10.125 15.959 -9.624 1.00 0.00 N ATOM 959 CA THR A 69 -9.646 16.971 -10.550 1.00 0.00 C ATOM 960 C THR A 69 -9.451 16.370 -11.943 1.00 0.00 C ATOM 961 O THR A 69 -9.821 16.981 -12.945 1.00 0.00 O ATOM 962 CB THR A 69 -8.369 17.579 -9.966 1.00 0.00 C ATOM 963 OG1 THR A 69 -8.734 17.944 -8.638 1.00 0.00 O ATOM 964 CG2 THR A 69 -7.996 18.906 -10.629 1.00 0.00 C ATOM 0 H THR A 69 -9.466 15.709 -8.886 1.00 0.00 H new ATOM 0 HA THR A 69 -10.376 17.770 -10.675 1.00 0.00 H new ATOM 0 HB THR A 69 -7.546 16.873 -10.080 1.00 0.00 H new ATOM 0 HG1 THR A 69 -7.927 18.158 -8.124 1.00 0.00 H new ATOM 0 HG21 THR A 69 -7.083 19.294 -10.178 1.00 0.00 H new ATOM 0 HG22 THR A 69 -7.835 18.747 -11.695 1.00 0.00 H new ATOM 0 HG23 THR A 69 -8.804 19.623 -10.487 1.00 0.00 H new ATOM 972 N ALA A 70 -8.870 15.179 -11.963 1.00 0.00 N ATOM 973 CA ALA A 70 -8.621 14.488 -13.217 1.00 0.00 C ATOM 974 C ALA A 70 -9.956 14.076 -13.840 1.00 0.00 C ATOM 975 O ALA A 70 -10.130 14.158 -15.055 1.00 0.00 O ATOM 976 CB ALA A 70 -7.700 13.293 -12.968 1.00 0.00 C ATOM 0 H ALA A 70 -8.564 14.675 -11.131 1.00 0.00 H new ATOM 0 HA ALA A 70 -8.116 15.146 -13.924 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -7.514 12.775 -13.909 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -6.755 13.642 -12.553 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -8.174 12.608 -12.265 1.00 0.00 H new ATOM 982 N LEU A 71 -10.865 13.641 -12.980 1.00 0.00 N ATOM 983 CA LEU A 71 -12.179 13.215 -13.431 1.00 0.00 C ATOM 984 C LEU A 71 -12.957 14.430 -13.940 1.00 0.00 C ATOM 985 O LEU A 71 -13.622 14.358 -14.973 1.00 0.00 O ATOM 986 CB LEU A 71 -12.900 12.442 -12.325 1.00 0.00 C ATOM 987 CG LEU A 71 -12.855 10.916 -12.434 1.00 0.00 C ATOM 988 CD1 LEU A 71 -13.461 10.260 -11.192 1.00 0.00 C ATOM 989 CD2 LEU A 71 -13.530 10.438 -13.722 1.00 0.00 C ATOM 0 H LEU A 71 -10.717 13.574 -11.973 1.00 0.00 H new ATOM 0 HA LEU A 71 -12.089 12.521 -14.267 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -12.468 12.731 -11.367 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -13.944 12.755 -12.312 1.00 0.00 H new ATOM 0 HG LEU A 71 -11.811 10.608 -12.484 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -13.417 9.176 -11.295 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -12.899 10.564 -10.309 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -14.500 10.572 -11.086 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -13.484 9.350 -13.775 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -14.572 10.758 -13.727 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -13.015 10.865 -14.583 1.00 0.00 H new ATOM 1001 N SER A 72 -12.849 15.518 -13.192 1.00 0.00 N ATOM 1002 CA SER A 72 -13.534 16.747 -13.554 1.00 0.00 C ATOM 1003 C SER A 72 -13.012 17.260 -14.898 1.00 0.00 C ATOM 1004 O SER A 72 -13.782 17.760 -15.717 1.00 0.00 O ATOM 1005 CB SER A 72 -13.358 17.815 -12.474 1.00 0.00 C ATOM 1006 OG SER A 72 -14.329 18.852 -12.584 1.00 0.00 O ATOM 0 H SER A 72 -12.297 15.574 -12.336 1.00 0.00 H new ATOM 0 HA SER A 72 -14.599 16.532 -13.643 1.00 0.00 H new ATOM 0 HB2 SER A 72 -13.433 17.351 -11.490 1.00 0.00 H new ATOM 0 HB3 SER A 72 -12.359 18.245 -12.549 1.00 0.00 H new ATOM 0 HG SER A 72 -14.183 19.513 -11.876 1.00 0.00 H new ATOM 1012 N ALA A 73 -11.708 17.119 -15.083 1.00 0.00 N ATOM 1013 CA ALA A 73 -11.074 17.562 -16.314 1.00 0.00 C ATOM 1014 C ALA A 73 -11.568 16.698 -17.476 1.00 0.00 C ATOM 1015 O ALA A 73 -11.788 17.199 -18.577 1.00 0.00 O ATOM 1016 CB ALA A 73 -9.554 17.509 -16.153 1.00 0.00 C ATOM 0 H ALA A 73 -11.073 16.704 -14.401 1.00 0.00 H new ATOM 0 HA ALA A 73 -11.342 18.595 -16.534 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -9.079 17.841 -17.076 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -9.252 18.162 -15.334 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -9.247 16.486 -15.934 1.00 0.00 H new ATOM 1022 N MET A 74 -11.726 15.413 -17.191 1.00 0.00 N ATOM 1023 CA MET A 74 -12.189 14.475 -18.199 1.00 0.00 C ATOM 1024 C MET A 74 -13.587 14.849 -18.696 1.00 0.00 C ATOM 1025 O MET A 74 -13.828 14.902 -19.901 1.00 0.00 O ATOM 1026 CB MET A 74 -12.218 13.064 -17.608 1.00 0.00 C ATOM 1027 CG MET A 74 -11.446 12.083 -18.493 1.00 0.00 C ATOM 1028 SD MET A 74 -12.455 10.653 -18.844 1.00 0.00 S ATOM 1029 CE MET A 74 -12.665 10.009 -17.193 1.00 0.00 C ATOM 0 H MET A 74 -11.542 15.000 -16.277 1.00 0.00 H new ATOM 0 HA MET A 74 -11.502 14.511 -19.044 1.00 0.00 H new ATOM 0 HB2 MET A 74 -11.785 13.076 -16.608 1.00 0.00 H new ATOM 0 HB3 MET A 74 -13.251 12.731 -17.504 1.00 0.00 H new ATOM 0 HG2 MET A 74 -11.156 12.571 -19.424 1.00 0.00 H new ATOM 0 HG3 MET A 74 -10.527 11.776 -17.994 1.00 0.00 H new ATOM 0 HE1 MET A 74 -12.882 8.942 -17.244 1.00 0.00 H new ATOM 0 HE2 MET A 74 -11.750 10.166 -16.622 1.00 0.00 H new ATOM 0 HE3 MET A 74 -13.491 10.525 -16.704 1.00 0.00 H new ATOM 1039 N ARG A 75 -14.472 15.100 -17.742 1.00 0.00 N ATOM 1040 CA ARG A 75 -15.839 15.468 -18.068 1.00 0.00 C ATOM 1041 C ARG A 75 -15.902 16.927 -18.522 1.00 0.00 C ATOM 1042 O ARG A 75 -16.790 17.306 -19.284 1.00 0.00 O ATOM 1043 CB ARG A 75 -16.763 15.275 -16.864 1.00 0.00 C ATOM 1044 CG ARG A 75 -18.200 15.676 -17.205 1.00 0.00 C ATOM 1045 CD ARG A 75 -19.082 15.673 -15.955 1.00 0.00 C ATOM 1046 NE ARG A 75 -19.601 14.310 -15.705 1.00 0.00 N ATOM 1047 CZ ARG A 75 -18.939 13.368 -15.020 1.00 0.00 C ATOM 1048 NH1 ARG A 75 -17.728 13.635 -14.513 1.00 0.00 N ATOM 1049 NH2 ARG A 75 -19.488 12.158 -14.842 1.00 0.00 N ATOM 0 H ARG A 75 -14.269 15.056 -16.743 1.00 0.00 H new ATOM 0 HA ARG A 75 -16.174 14.818 -18.876 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -16.738 14.233 -16.546 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -16.404 15.873 -16.026 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -18.207 16.668 -17.657 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -18.608 14.986 -17.944 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -18.508 16.016 -15.094 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -19.911 16.369 -16.083 1.00 0.00 H new ATOM 0 HE ARG A 75 -20.520 14.073 -16.078 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -17.310 14.556 -14.649 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -17.224 12.918 -13.991 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -20.410 11.954 -15.228 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -18.984 11.441 -14.320 1.00 0.00 H new ATOM 1063 N ASN A 76 -14.948 17.707 -18.035 1.00 0.00 N ATOM 1064 CA ASN A 76 -14.884 19.117 -18.381 1.00 0.00 C ATOM 1065 C ASN A 76 -14.295 19.266 -19.785 1.00 0.00 C ATOM 1066 O ASN A 76 -14.459 20.305 -20.424 1.00 0.00 O ATOM 1067 CB ASN A 76 -13.986 19.883 -17.408 1.00 0.00 C ATOM 1068 CG ASN A 76 -14.754 20.270 -16.143 1.00 0.00 C ATOM 1069 OD1 ASN A 76 -15.672 19.382 -15.773 1.00 0.00 O flip ATOM 1070 ND2 ASN A 76 -14.527 21.307 -15.541 1.00 0.00 N flip ATOM 0 H ASN A 76 -14.213 17.389 -17.403 1.00 0.00 H new ATOM 0 HA ASN A 76 -15.895 19.522 -18.334 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -13.125 19.269 -17.142 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -13.600 20.780 -17.893 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -13.808 21.946 -15.879 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -15.057 21.535 -14.700 1.00 0.00 H new ATOM 1077 N LEU A 77 -13.621 18.214 -20.225 1.00 0.00 N ATOM 1078 CA LEU A 77 -13.007 18.215 -21.542 1.00 0.00 C ATOM 1079 C LEU A 77 -13.610 17.087 -22.382 1.00 0.00 C ATOM 1080 O LEU A 77 -14.490 17.326 -23.208 1.00 0.00 O ATOM 1081 CB LEU A 77 -11.483 18.145 -21.422 1.00 0.00 C ATOM 1082 CG LEU A 77 -10.836 19.171 -20.490 1.00 0.00 C ATOM 1083 CD1 LEU A 77 -9.566 18.606 -19.851 1.00 0.00 C ATOM 1084 CD2 LEU A 77 -10.572 20.488 -21.223 1.00 0.00 C ATOM 0 H LEU A 77 -13.486 17.354 -19.693 1.00 0.00 H new ATOM 0 HA LEU A 77 -13.221 19.149 -22.062 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -11.211 17.148 -21.077 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -11.054 18.266 -22.417 1.00 0.00 H new ATOM 0 HG LEU A 77 -11.535 19.387 -19.682 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -9.125 19.355 -19.193 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -9.815 17.716 -19.273 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -8.852 18.344 -20.631 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -10.112 21.200 -20.538 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -9.902 20.308 -22.064 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -11.514 20.895 -21.590 1.00 0.00 H new ATOM 1096 N ASN A 78 -13.114 15.883 -22.142 1.00 0.00 N ATOM 1097 CA ASN A 78 -13.593 14.718 -22.866 1.00 0.00 C ATOM 1098 C ASN A 78 -14.025 15.139 -24.272 1.00 0.00 C ATOM 1099 O ASN A 78 -15.207 15.082 -24.605 1.00 0.00 O ATOM 1100 CB ASN A 78 -14.802 14.093 -22.167 1.00 0.00 C ATOM 1101 CG ASN A 78 -15.828 15.162 -21.788 1.00 0.00 C ATOM 1102 OD1 ASN A 78 -15.561 16.072 -21.020 1.00 0.00 O ATOM 1103 ND2 ASN A 78 -17.015 15.002 -22.367 1.00 0.00 N ATOM 0 H ASN A 78 -12.385 15.689 -21.456 1.00 0.00 H new ATOM 0 HA ASN A 78 -12.783 13.989 -22.905 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -15.265 13.356 -22.823 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -14.476 13.563 -21.272 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -17.768 15.663 -22.178 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -17.172 14.218 -23.000 1.00 0.00 H new ATOM 1110 N GLY A 79 -13.043 15.552 -25.060 1.00 0.00 N ATOM 1111 CA GLY A 79 -13.306 15.983 -26.422 1.00 0.00 C ATOM 1112 C GLY A 79 -13.660 17.471 -26.468 1.00 0.00 C ATOM 1113 O GLY A 79 -14.697 17.850 -27.010 1.00 0.00 O ATOM 0 H GLY A 79 -12.063 15.597 -24.781 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -12.430 15.795 -27.042 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -14.125 15.398 -26.841 1.00 0.00 H new ATOM 1117 N ARG A 80 -12.778 18.274 -25.892 1.00 0.00 N ATOM 1118 CA ARG A 80 -12.983 19.712 -25.861 1.00 0.00 C ATOM 1119 C ARG A 80 -12.396 20.360 -27.116 1.00 0.00 C ATOM 1120 O ARG A 80 -11.201 20.238 -27.381 1.00 0.00 O ATOM 1121 CB ARG A 80 -12.334 20.334 -24.623 1.00 0.00 C ATOM 1122 CG ARG A 80 -12.218 21.853 -24.769 1.00 0.00 C ATOM 1123 CD ARG A 80 -13.596 22.493 -24.955 1.00 0.00 C ATOM 1124 NE ARG A 80 -13.460 23.799 -25.637 1.00 0.00 N ATOM 1125 CZ ARG A 80 -14.448 24.697 -25.744 1.00 0.00 C ATOM 1126 NH1 ARG A 80 -15.651 24.436 -25.215 1.00 0.00 N ATOM 1127 NH2 ARG A 80 -14.233 25.857 -26.380 1.00 0.00 N ATOM 0 H ARG A 80 -11.919 17.956 -25.443 1.00 0.00 H new ATOM 0 HA ARG A 80 -14.057 19.893 -25.824 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -12.925 20.094 -23.739 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -11.344 19.903 -24.471 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -11.735 22.271 -23.886 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -11.584 22.093 -25.622 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -14.237 21.833 -25.540 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -14.077 22.628 -23.986 1.00 0.00 H new ATOM 0 HE ARG A 80 -12.557 24.030 -26.052 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -15.815 23.553 -24.731 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -16.403 25.120 -25.297 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -13.317 26.056 -26.782 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -14.985 26.541 -26.462 1.00 0.00 H new ATOM 1141 N GLU A 81 -13.263 21.035 -27.856 1.00 0.00 N ATOM 1142 CA GLU A 81 -12.845 21.702 -29.077 1.00 0.00 C ATOM 1143 C GLU A 81 -11.683 22.655 -28.791 1.00 0.00 C ATOM 1144 O GLU A 81 -11.712 23.398 -27.811 1.00 0.00 O ATOM 1145 CB GLU A 81 -14.016 22.444 -29.725 1.00 0.00 C ATOM 1146 CG GLU A 81 -15.274 21.573 -29.745 1.00 0.00 C ATOM 1147 CD GLU A 81 -16.417 22.243 -28.979 1.00 0.00 C ATOM 1148 OE1 GLU A 81 -16.648 23.443 -29.240 1.00 0.00 O ATOM 1149 OE2 GLU A 81 -17.033 21.539 -28.150 1.00 0.00 O ATOM 0 H GLU A 81 -14.253 21.134 -27.633 1.00 0.00 H new ATOM 0 HA GLU A 81 -12.502 20.945 -29.782 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -14.216 23.365 -29.177 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -13.751 22.730 -30.743 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -15.579 21.392 -30.776 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -15.055 20.601 -29.302 1.00 0.00 H new ATOM 1156 N PHE A 82 -10.688 22.602 -29.663 1.00 0.00 N ATOM 1157 CA PHE A 82 -9.518 23.451 -29.516 1.00 0.00 C ATOM 1158 C PHE A 82 -8.518 23.209 -30.649 1.00 0.00 C ATOM 1159 O PHE A 82 -7.979 22.112 -30.781 1.00 0.00 O ATOM 1160 CB PHE A 82 -8.861 23.082 -28.185 1.00 0.00 C ATOM 1161 CG PHE A 82 -7.559 23.834 -27.903 1.00 0.00 C ATOM 1162 CD1 PHE A 82 -6.417 23.483 -28.552 1.00 0.00 C ATOM 1163 CD2 PHE A 82 -7.544 24.853 -27.003 1.00 0.00 C ATOM 1164 CE1 PHE A 82 -5.208 24.181 -28.291 1.00 0.00 C ATOM 1165 CE2 PHE A 82 -6.335 25.551 -26.741 1.00 0.00 C ATOM 1166 CZ PHE A 82 -5.193 25.200 -27.391 1.00 0.00 C ATOM 0 H PHE A 82 -10.667 21.984 -30.474 1.00 0.00 H new ATOM 0 HA PHE A 82 -9.814 24.500 -29.547 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -9.565 23.280 -27.377 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -8.659 22.011 -28.176 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -6.429 22.673 -29.266 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -8.451 25.132 -26.487 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -4.301 23.903 -28.807 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -6.323 26.360 -26.026 1.00 0.00 H new ATOM 0 HZ PHE A 82 -4.274 25.731 -27.192 1.00 0.00 H new ATOM 1218 N ALA A 86 -11.416 18.356 -31.331 1.00 0.00 N ATOM 1219 CA ALA A 86 -11.823 18.055 -29.969 1.00 0.00 C ATOM 1220 C ALA A 86 -10.676 17.347 -29.244 1.00 0.00 C ATOM 1221 O ALA A 86 -10.021 16.476 -29.813 1.00 0.00 O ATOM 1222 CB ALA A 86 -13.103 17.217 -29.992 1.00 0.00 C ATOM 0 HA ALA A 86 -12.043 18.972 -29.422 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -13.408 16.991 -28.970 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -13.894 17.775 -30.492 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -12.919 16.287 -30.530 1.00 0.00 H new ATOM 1228 N LEU A 87 -10.469 17.749 -27.999 1.00 0.00 N ATOM 1229 CA LEU A 87 -9.413 17.165 -27.190 1.00 0.00 C ATOM 1230 C LEU A 87 -9.971 15.966 -26.420 1.00 0.00 C ATOM 1231 O LEU A 87 -10.425 16.108 -25.286 1.00 0.00 O ATOM 1232 CB LEU A 87 -8.774 18.228 -26.293 1.00 0.00 C ATOM 1233 CG LEU A 87 -7.590 18.988 -26.893 1.00 0.00 C ATOM 1234 CD1 LEU A 87 -6.299 18.175 -26.773 1.00 0.00 C ATOM 1235 CD2 LEU A 87 -7.877 19.397 -28.339 1.00 0.00 C ATOM 0 H LEU A 87 -11.015 18.472 -27.531 1.00 0.00 H new ATOM 0 HA LEU A 87 -8.609 16.792 -27.825 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -9.542 18.951 -26.016 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -8.443 17.747 -25.373 1.00 0.00 H new ATOM 0 HG LEU A 87 -7.448 19.905 -26.321 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -5.473 18.738 -27.207 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -6.090 17.977 -25.722 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -6.413 17.230 -27.305 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -7.019 19.936 -28.742 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -8.061 18.506 -28.940 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -8.756 20.041 -28.367 1.00 0.00 H new ATOM 1247 N ARG A 88 -9.917 14.811 -27.068 1.00 0.00 N ATOM 1248 CA ARG A 88 -10.411 13.588 -26.458 1.00 0.00 C ATOM 1249 C ARG A 88 -9.717 13.345 -25.117 1.00 0.00 C ATOM 1250 O ARG A 88 -8.490 13.300 -25.047 1.00 0.00 O ATOM 1251 CB ARG A 88 -10.175 12.383 -27.372 1.00 0.00 C ATOM 1252 CG ARG A 88 -11.473 11.607 -27.602 1.00 0.00 C ATOM 1253 CD ARG A 88 -11.183 10.186 -28.089 1.00 0.00 C ATOM 1254 NE ARG A 88 -12.200 9.251 -27.557 1.00 0.00 N ATOM 1255 CZ ARG A 88 -13.424 9.097 -28.079 1.00 0.00 C ATOM 1256 NH1 ARG A 88 -13.792 9.814 -29.150 1.00 0.00 N ATOM 1257 NH2 ARG A 88 -14.282 8.225 -27.531 1.00 0.00 N ATOM 0 H ARG A 88 -9.539 14.697 -28.008 1.00 0.00 H new ATOM 0 HA ARG A 88 -11.483 13.706 -26.300 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -9.774 12.720 -28.328 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -9.428 11.726 -26.927 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -12.047 11.568 -26.676 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -12.088 12.128 -28.336 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -11.186 10.158 -29.179 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -10.189 9.878 -27.765 1.00 0.00 H new ATOM 0 HE ARG A 88 -11.953 8.689 -26.742 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -13.140 10.477 -29.568 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -14.724 9.696 -29.547 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -14.003 7.678 -26.716 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -15.214 8.108 -27.929 1.00 0.00 H new ATOM 1271 N VAL A 89 -10.533 13.195 -24.083 1.00 0.00 N ATOM 1272 CA VAL A 89 -10.013 12.958 -22.747 1.00 0.00 C ATOM 1273 C VAL A 89 -10.643 11.686 -22.178 1.00 0.00 C ATOM 1274 O VAL A 89 -11.866 11.572 -22.109 1.00 0.00 O ATOM 1275 CB VAL A 89 -10.249 14.188 -21.868 1.00 0.00 C ATOM 1276 CG1 VAL A 89 -9.361 14.151 -20.623 1.00 0.00 C ATOM 1277 CG2 VAL A 89 -10.030 15.479 -22.660 1.00 0.00 C ATOM 0 H VAL A 89 -11.550 13.233 -24.144 1.00 0.00 H new ATOM 0 HA VAL A 89 -8.935 12.800 -22.779 1.00 0.00 H new ATOM 0 HB VAL A 89 -11.288 14.170 -21.539 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -9.549 15.037 -20.016 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -9.587 13.257 -20.041 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -8.313 14.133 -20.924 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -10.204 16.338 -22.012 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -9.006 15.508 -23.033 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -10.723 15.512 -23.500 1.00 0.00 H new ATOM 1287 N ASP A 90 -9.780 10.761 -21.783 1.00 0.00 N ATOM 1288 CA ASP A 90 -10.237 9.502 -21.222 1.00 0.00 C ATOM 1289 C ASP A 90 -9.339 9.118 -20.043 1.00 0.00 C ATOM 1290 O ASP A 90 -8.117 9.228 -20.128 1.00 0.00 O ATOM 1291 CB ASP A 90 -10.163 8.378 -22.257 1.00 0.00 C ATOM 1292 CG ASP A 90 -9.743 8.819 -23.661 1.00 0.00 C ATOM 1293 OD1 ASP A 90 -8.752 9.576 -23.745 1.00 0.00 O ATOM 1294 OD2 ASP A 90 -10.422 8.388 -24.618 1.00 0.00 O ATOM 0 H ASP A 90 -8.766 10.859 -21.841 1.00 0.00 H new ATOM 0 HA ASP A 90 -11.271 9.631 -20.903 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -9.459 7.624 -21.903 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -11.139 7.898 -22.320 1.00 0.00 H new ATOM 1299 N ASN A 91 -9.980 8.676 -18.971 1.00 0.00 N ATOM 1300 CA ASN A 91 -9.255 8.276 -17.778 1.00 0.00 C ATOM 1301 C ASN A 91 -7.964 7.564 -18.185 1.00 0.00 C ATOM 1302 O ASN A 91 -7.970 6.729 -19.088 1.00 0.00 O ATOM 1303 CB ASN A 91 -10.082 7.307 -16.930 1.00 0.00 C ATOM 1304 CG ASN A 91 -9.803 7.508 -15.439 1.00 0.00 C ATOM 1305 OD1 ASN A 91 -10.441 8.298 -14.763 1.00 0.00 O ATOM 1306 ND2 ASN A 91 -8.818 6.751 -14.966 1.00 0.00 N ATOM 0 H ASN A 91 -10.994 8.586 -18.904 1.00 0.00 H new ATOM 0 HA ASN A 91 -9.042 9.173 -17.197 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -11.143 7.459 -17.129 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -9.848 6.280 -17.212 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -8.556 6.811 -13.982 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -8.324 6.110 -15.587 1.00 0.00 H new ATOM 1313 N ALA A 92 -6.887 7.921 -17.500 1.00 0.00 N ATOM 1314 CA ALA A 92 -5.591 7.327 -17.779 1.00 0.00 C ATOM 1315 C ALA A 92 -5.480 5.988 -17.046 1.00 0.00 C ATOM 1316 O ALA A 92 -4.483 5.725 -16.376 1.00 0.00 O ATOM 1317 CB ALA A 92 -4.484 8.304 -17.380 1.00 0.00 C ATOM 0 H ALA A 92 -6.886 8.615 -16.752 1.00 0.00 H new ATOM 0 HA ALA A 92 -5.481 7.129 -18.845 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -3.512 7.858 -17.590 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -4.590 9.227 -17.950 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -4.560 8.525 -16.315 1.00 0.00 H new ATOM 1323 N ALA A 93 -6.518 5.179 -17.197 1.00 0.00 N ATOM 1324 CA ALA A 93 -6.549 3.874 -16.558 1.00 0.00 C ATOM 1325 C ALA A 93 -7.498 2.955 -17.329 1.00 0.00 C ATOM 1326 O ALA A 93 -8.039 2.004 -16.768 1.00 0.00 O ATOM 1327 CB ALA A 93 -6.955 4.034 -15.092 1.00 0.00 C ATOM 0 H ALA A 93 -7.344 5.402 -17.752 1.00 0.00 H new ATOM 0 HA ALA A 93 -5.561 3.415 -16.575 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -6.978 3.056 -14.612 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -6.233 4.671 -14.582 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -7.944 4.489 -15.036 1.00 0.00 H new ATOM 1333 N SER A 94 -7.672 3.273 -18.604 1.00 0.00 N ATOM 1334 CA SER A 94 -8.547 2.488 -19.458 1.00 0.00 C ATOM 1335 C SER A 94 -7.836 1.206 -19.898 1.00 0.00 C ATOM 1336 O SER A 94 -6.607 1.151 -19.924 1.00 0.00 O ATOM 1337 CB SER A 94 -8.993 3.294 -20.679 1.00 0.00 C ATOM 1338 OG SER A 94 -10.383 3.607 -20.633 1.00 0.00 O ATOM 0 H SER A 94 -7.222 4.063 -19.066 1.00 0.00 H new ATOM 0 HA SER A 94 -9.437 2.224 -18.886 1.00 0.00 H new ATOM 0 HB2 SER A 94 -8.415 4.217 -20.735 1.00 0.00 H new ATOM 0 HB3 SER A 94 -8.779 2.728 -21.585 1.00 0.00 H new ATOM 0 HG SER A 94 -10.629 4.123 -21.429 1.00 0.00 H new ATOM 1344 N GLU A 95 -8.639 0.208 -20.235 1.00 0.00 N ATOM 1345 CA GLU A 95 -8.102 -1.069 -20.673 1.00 0.00 C ATOM 1346 C GLU A 95 -7.420 -0.919 -22.035 1.00 0.00 C ATOM 1347 O GLU A 95 -6.435 -1.600 -22.318 1.00 0.00 O ATOM 1348 CB GLU A 95 -9.197 -2.137 -20.723 1.00 0.00 C ATOM 1349 CG GLU A 95 -9.486 -2.692 -19.327 1.00 0.00 C ATOM 1350 CD GLU A 95 -10.992 -2.806 -19.083 1.00 0.00 C ATOM 1351 OE1 GLU A 95 -11.592 -3.734 -19.667 1.00 0.00 O ATOM 1352 OE2 GLU A 95 -11.508 -1.963 -18.318 1.00 0.00 O ATOM 0 H GLU A 95 -9.658 0.258 -20.214 1.00 0.00 H new ATOM 0 HA GLU A 95 -7.356 -1.395 -19.948 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -10.107 -1.710 -21.144 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -8.890 -2.947 -21.384 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -9.021 -3.672 -19.218 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -9.040 -2.042 -18.574 1.00 0.00 H new ATOM 1359 N LYS A 96 -7.971 -0.024 -22.841 1.00 0.00 N ATOM 1360 CA LYS A 96 -7.428 0.224 -24.166 1.00 0.00 C ATOM 1361 C LYS A 96 -6.245 1.189 -24.055 1.00 0.00 C ATOM 1362 O LYS A 96 -5.268 1.065 -24.792 1.00 0.00 O ATOM 1363 CB LYS A 96 -8.528 0.706 -25.114 1.00 0.00 C ATOM 1364 CG LYS A 96 -8.857 2.180 -24.868 1.00 0.00 C ATOM 1365 CD LYS A 96 -9.695 2.753 -26.012 1.00 0.00 C ATOM 1366 CE LYS A 96 -10.442 4.012 -25.568 1.00 0.00 C ATOM 1367 NZ LYS A 96 -10.694 4.901 -26.724 1.00 0.00 N ATOM 0 H LYS A 96 -8.788 0.538 -22.602 1.00 0.00 H new ATOM 0 HA LYS A 96 -7.047 -0.700 -24.601 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -8.209 0.569 -26.147 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -9.424 0.101 -24.974 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -9.399 2.283 -23.928 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -7.934 2.751 -24.768 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -9.049 2.988 -26.858 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -10.409 2.004 -26.355 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -11.388 3.735 -25.102 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -9.858 4.542 -24.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -11.202 5.750 -26.404 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -9.788 5.180 -27.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -11.270 4.398 -27.429 1.00 0.00 H new ATOM 1381 N ASN A 97 -6.373 2.128 -23.129 1.00 0.00 N ATOM 1382 CA ASN A 97 -5.327 3.113 -22.913 1.00 0.00 C ATOM 1383 C ASN A 97 -4.145 2.448 -22.205 1.00 0.00 C ATOM 1384 O ASN A 97 -3.041 2.990 -22.190 1.00 0.00 O ATOM 1385 CB ASN A 97 -5.824 4.259 -22.029 1.00 0.00 C ATOM 1386 CG ASN A 97 -5.321 4.101 -20.593 1.00 0.00 C ATOM 1387 OD1 ASN A 97 -5.255 3.012 -20.047 1.00 0.00 O ATOM 1388 ND2 ASN A 97 -4.971 5.246 -20.013 1.00 0.00 N ATOM 0 H ASN A 97 -7.185 2.227 -22.520 1.00 0.00 H new ATOM 0 HA ASN A 97 -5.031 3.509 -23.884 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -5.482 5.211 -22.435 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -6.914 4.282 -22.036 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -4.623 5.246 -19.054 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -5.051 6.123 -20.527 1.00 0.00 H new ATOM 1395 N LYS A 98 -4.417 1.283 -21.635 1.00 0.00 N ATOM 1396 CA LYS A 98 -3.389 0.538 -20.928 1.00 0.00 C ATOM 1397 C LYS A 98 -2.258 0.192 -21.897 1.00 0.00 C ATOM 1398 O LYS A 98 -1.089 0.177 -21.513 1.00 0.00 O ATOM 1399 CB LYS A 98 -3.996 -0.681 -20.230 1.00 0.00 C ATOM 1400 CG LYS A 98 -3.220 -1.026 -18.957 1.00 0.00 C ATOM 1401 CD LYS A 98 -4.026 -0.664 -17.708 1.00 0.00 C ATOM 1402 CE LYS A 98 -4.847 -1.860 -17.220 1.00 0.00 C ATOM 1403 NZ LYS A 98 -6.248 -1.457 -16.963 1.00 0.00 N ATOM 0 H LYS A 98 -5.334 0.837 -21.648 1.00 0.00 H new ATOM 0 HA LYS A 98 -2.954 1.147 -20.135 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -5.038 -0.481 -19.982 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -3.988 -1.534 -20.908 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -2.986 -2.090 -18.947 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -2.271 -0.491 -18.949 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -3.351 -0.335 -16.918 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -4.690 0.172 -17.929 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -4.822 -2.654 -17.966 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -4.406 -2.264 -16.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -6.791 -2.280 -16.633 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -6.268 -0.714 -16.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -6.671 -1.093 -17.841 1.00 0.00 H new ATOM 1417 N GLU A 99 -2.644 -0.079 -23.135 1.00 0.00 N ATOM 1418 CA GLU A 99 -1.676 -0.424 -24.163 1.00 0.00 C ATOM 1419 C GLU A 99 -0.807 0.788 -24.503 1.00 0.00 C ATOM 1420 O GLU A 99 0.390 0.649 -24.749 1.00 0.00 O ATOM 1421 CB GLU A 99 -2.373 -0.967 -25.412 1.00 0.00 C ATOM 1422 CG GLU A 99 -2.226 -2.487 -25.505 1.00 0.00 C ATOM 1423 CD GLU A 99 -3.232 -3.076 -26.496 1.00 0.00 C ATOM 1424 OE1 GLU A 99 -4.355 -3.390 -26.046 1.00 0.00 O ATOM 1425 OE2 GLU A 99 -2.856 -3.198 -27.682 1.00 0.00 O ATOM 0 H GLU A 99 -3.614 -0.067 -23.450 1.00 0.00 H new ATOM 0 HA GLU A 99 -1.030 -1.212 -23.776 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -3.430 -0.701 -25.388 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -1.948 -0.502 -26.301 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -1.213 -2.739 -25.817 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -2.377 -2.931 -24.521 1.00 0.00 H new ATOM 1432 N GLU A 100 -1.444 1.950 -24.505 1.00 0.00 N ATOM 1433 CA GLU A 100 -0.744 3.186 -24.811 1.00 0.00 C ATOM 1434 C GLU A 100 0.178 3.574 -23.653 1.00 0.00 C ATOM 1435 O GLU A 100 1.316 3.986 -23.872 1.00 0.00 O ATOM 1436 CB GLU A 100 -1.731 4.311 -25.128 1.00 0.00 C ATOM 1437 CG GLU A 100 -2.424 4.071 -26.470 1.00 0.00 C ATOM 1438 CD GLU A 100 -2.536 5.370 -27.270 1.00 0.00 C ATOM 1439 OE1 GLU A 100 -2.489 6.440 -26.625 1.00 0.00 O ATOM 1440 OE2 GLU A 100 -2.665 5.264 -28.509 1.00 0.00 O ATOM 0 H GLU A 100 -2.437 2.061 -24.300 1.00 0.00 H new ATOM 0 HA GLU A 100 -0.132 3.025 -25.698 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -2.477 4.379 -24.336 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -1.205 5.265 -25.152 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -1.865 3.333 -27.045 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -3.418 3.657 -26.301 1.00 0.00 H new ATOM 1447 N LEU A 101 -0.349 3.430 -22.446 1.00 0.00 N ATOM 1448 CA LEU A 101 0.413 3.761 -21.253 1.00 0.00 C ATOM 1449 C LEU A 101 1.662 2.879 -21.190 1.00 0.00 C ATOM 1450 O LEU A 101 2.732 3.341 -20.798 1.00 0.00 O ATOM 1451 CB LEU A 101 -0.472 3.663 -20.009 1.00 0.00 C ATOM 1452 CG LEU A 101 -1.102 4.973 -19.530 1.00 0.00 C ATOM 1453 CD1 LEU A 101 -2.382 4.707 -18.735 1.00 0.00 C ATOM 1454 CD2 LEU A 101 -0.096 5.806 -18.733 1.00 0.00 C ATOM 0 H LEU A 101 -1.294 3.089 -22.268 1.00 0.00 H new ATOM 0 HA LEU A 101 0.754 4.795 -21.293 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -1.272 2.951 -20.211 1.00 0.00 H new ATOM 0 HB3 LEU A 101 0.124 3.250 -19.195 1.00 0.00 H new ATOM 0 HG LEU A 101 -1.382 5.558 -20.406 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -2.810 5.654 -18.406 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -3.100 4.184 -19.366 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -2.149 4.093 -17.865 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -0.569 6.731 -18.404 1.00 0.00 H new ATOM 0 HD22 LEU A 101 0.237 5.240 -17.863 1.00 0.00 H new ATOM 0 HD23 LEU A 101 0.762 6.041 -19.363 1.00 0.00 H new ATOM 1466 N LYS A 102 1.483 1.626 -21.582 1.00 0.00 N ATOM 1467 CA LYS A 102 2.583 0.676 -21.574 1.00 0.00 C ATOM 1468 C LYS A 102 3.817 1.326 -22.203 1.00 0.00 C ATOM 1469 O LYS A 102 4.946 1.008 -21.834 1.00 0.00 O ATOM 1470 CB LYS A 102 2.165 -0.632 -22.250 1.00 0.00 C ATOM 1471 CG LYS A 102 3.337 -1.613 -22.316 1.00 0.00 C ATOM 1472 CD LYS A 102 2.948 -2.881 -23.078 1.00 0.00 C ATOM 1473 CE LYS A 102 4.179 -3.555 -23.687 1.00 0.00 C ATOM 1474 NZ LYS A 102 4.169 -5.007 -23.404 1.00 0.00 N ATOM 0 H LYS A 102 0.594 1.247 -21.907 1.00 0.00 H new ATOM 0 HA LYS A 102 2.849 0.409 -20.551 1.00 0.00 H new ATOM 0 HB2 LYS A 102 1.339 -1.083 -21.699 1.00 0.00 H new ATOM 0 HB3 LYS A 102 1.802 -0.425 -23.257 1.00 0.00 H new ATOM 0 HG2 LYS A 102 4.187 -1.137 -22.805 1.00 0.00 H new ATOM 0 HG3 LYS A 102 3.655 -1.874 -21.307 1.00 0.00 H new ATOM 0 HD2 LYS A 102 2.445 -3.575 -22.404 1.00 0.00 H new ATOM 0 HD3 LYS A 102 2.238 -2.632 -23.867 1.00 0.00 H new ATOM 0 HE2 LYS A 102 4.196 -3.389 -24.764 1.00 0.00 H new ATOM 0 HE3 LYS A 102 5.085 -3.106 -23.281 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 5.012 -5.448 -23.825 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 4.175 -5.160 -22.375 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 3.314 -5.434 -23.813 1.00 0.00 H new ATOM 1488 N SER A 103 3.559 2.225 -23.142 1.00 0.00 N ATOM 1489 CA SER A 103 4.635 2.923 -23.825 1.00 0.00 C ATOM 1490 C SER A 103 5.058 4.151 -23.018 1.00 0.00 C ATOM 1491 O SER A 103 6.231 4.523 -23.014 1.00 0.00 O ATOM 1492 CB SER A 103 4.215 3.335 -25.237 1.00 0.00 C ATOM 1493 OG SER A 103 4.554 2.345 -26.205 1.00 0.00 O ATOM 0 H SER A 103 2.621 2.486 -23.446 1.00 0.00 H new ATOM 0 HA SER A 103 5.483 2.243 -23.911 1.00 0.00 H new ATOM 0 HB2 SER A 103 3.139 3.510 -25.259 1.00 0.00 H new ATOM 0 HB3 SER A 103 4.697 4.277 -25.498 1.00 0.00 H new ATOM 0 HG SER A 103 4.268 2.644 -27.093 1.00 0.00 H new ATOM 1499 N LEU A 104 4.080 4.748 -22.353 1.00 0.00 N ATOM 1500 CA LEU A 104 4.336 5.927 -21.543 1.00 0.00 C ATOM 1501 C LEU A 104 4.945 5.500 -20.206 1.00 0.00 C ATOM 1502 O LEU A 104 5.403 6.340 -19.432 1.00 0.00 O ATOM 1503 CB LEU A 104 3.064 6.766 -21.400 1.00 0.00 C ATOM 1504 CG LEU A 104 2.961 7.989 -22.313 1.00 0.00 C ATOM 1505 CD1 LEU A 104 4.273 8.775 -22.327 1.00 0.00 C ATOM 1506 CD2 LEU A 104 2.519 7.586 -23.721 1.00 0.00 C ATOM 0 H LEU A 104 3.109 4.437 -22.359 1.00 0.00 H new ATOM 0 HA LEU A 104 5.064 6.574 -22.032 1.00 0.00 H new ATOM 0 HB2 LEU A 104 2.205 6.122 -21.590 1.00 0.00 H new ATOM 0 HB3 LEU A 104 2.989 7.102 -20.366 1.00 0.00 H new ATOM 0 HG LEU A 104 2.194 8.651 -21.912 1.00 0.00 H new ATOM 0 HD11 LEU A 104 4.172 9.639 -22.984 1.00 0.00 H new ATOM 0 HD12 LEU A 104 4.506 9.112 -21.317 1.00 0.00 H new ATOM 0 HD13 LEU A 104 5.077 8.135 -22.690 1.00 0.00 H new ATOM 0 HD21 LEU A 104 2.454 8.474 -24.350 1.00 0.00 H new ATOM 0 HD22 LEU A 104 3.245 6.893 -24.146 1.00 0.00 H new ATOM 0 HD23 LEU A 104 1.543 7.104 -23.672 1.00 0.00 H new