USER MOD reduce.3.24.130724 H: found=0, std=0, add=737, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 737 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 79 THR OG1 : rot -29:sc= 0.943 USER MOD Set 1.2: A 82 THR OG1 : rot 67:sc= 1.01 USER MOD Set 2.1: A 68 ASN :FLIP amide:sc= -1.1 F(o=-3.3!,f=-1.5) USER MOD Set 2.2: A 78 MET CE :methyl -163:sc= -0.386 (180deg=-1.14) USER MOD Set 3.1: A 18 GLN :FLIP amide:sc= -0.36! F(o=-7.4,f=-6.1!) USER MOD Set 3.2: A 21 GLN : amide:sc= -5.7! C(o=-6.1!,f=-7.9!) USER MOD Single : A 9 GLN :FLIP amide:sc= -0.05 F(o=-1.1,f=-0.05) USER MOD Single : A 10 SER OG : rot -47:sc= 0.281 USER MOD Single : A 13 TYR OH : rot 180:sc= -1.97 USER MOD Single : A 22 SER OG : rot -150:sc= 0.0132 USER MOD Single : A 24 MET CE :methyl -173:sc= -0.681 (180deg=-0.738) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 GLN : amide:sc= 0.701 K(o=0.7,f=-0.068) USER MOD Single : A 30 ASN : amide:sc= -32.2! C(o=-32!,f=-34!) USER MOD Single : A 42 SER OG : rot -59:sc= -1.23! USER MOD Single : A 43 CYS SG : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= -2.31 K(o=-2.3,f=-9.8!) USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot -33:sc= 0.137 USER MOD Single : A 85 SER OG : rot -36:sc= -1.33! USER MOD Single : A 87 GLN : amide:sc= -0.376 K(o=-0.38,f=-3!) USER MOD Single : A 93 SER OG : rot -99:sc= 0.752 USER MOD Single : A 94 MET CE :methyl 157:sc= -5.88! (180deg=-8.39!) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 4.037 13.911 -4.918 1.00 0.00 N ATOM 2 CA PRO A 1 4.509 13.951 -3.503 1.00 0.00 C ATOM 3 C PRO A 1 5.809 13.214 -3.282 1.00 0.00 C ATOM 4 O PRO A 1 6.518 12.852 -4.216 1.00 0.00 O ATOM 5 CB PRO A 1 3.437 13.276 -2.679 1.00 0.00 C ATOM 6 CG PRO A 1 2.239 13.476 -3.492 1.00 0.00 C ATOM 7 CD PRO A 1 2.726 13.218 -4.891 1.00 0.00 C ATOM 0 H2 PRO A 1 4.701 13.413 -5.511 1.00 0.00 H new ATOM 0 H3 PRO A 1 3.945 14.853 -5.299 1.00 0.00 H new ATOM 0 HA PRO A 1 4.687 14.990 -3.226 1.00 0.00 H new ATOM 0 HB2 PRO A 1 3.650 12.218 -2.524 1.00 0.00 H new ATOM 0 HB3 PRO A 1 3.338 13.729 -1.693 1.00 0.00 H new ATOM 0 HG2 PRO A 1 1.442 12.788 -3.210 1.00 0.00 H new ATOM 0 HG3 PRO A 1 1.843 14.486 -3.383 1.00 0.00 H new ATOM 0 HD2 PRO A 1 2.828 12.152 -5.093 1.00 0.00 H new ATOM 0 HD3 PRO A 1 2.041 13.620 -5.638 1.00 0.00 H new ATOM 17 N ARG A 2 6.064 12.971 -2.008 1.00 0.00 N ATOM 18 CA ARG A 2 7.238 12.231 -1.556 1.00 0.00 C ATOM 19 C ARG A 2 6.734 10.946 -0.917 1.00 0.00 C ATOM 20 O ARG A 2 5.568 10.888 -0.527 1.00 0.00 O ATOM 21 CB ARG A 2 8.036 13.076 -0.552 1.00 0.00 C ATOM 22 CG ARG A 2 9.068 12.295 0.246 1.00 0.00 C ATOM 23 CD ARG A 2 10.483 12.635 -0.186 1.00 0.00 C ATOM 24 NE ARG A 2 11.442 11.627 0.259 1.00 0.00 N ATOM 25 CZ ARG A 2 12.745 11.856 0.403 1.00 0.00 C ATOM 26 NH1 ARG A 2 13.245 13.053 0.129 1.00 0.00 N ATOM 27 NH2 ARG A 2 13.548 10.886 0.821 1.00 0.00 N ATOM 0 H ARG A 2 5.459 13.283 -1.248 1.00 0.00 H new ATOM 0 HA ARG A 2 7.907 12.000 -2.385 1.00 0.00 H new ATOM 0 HB2 ARG A 2 8.542 13.877 -1.091 1.00 0.00 H new ATOM 0 HB3 ARG A 2 7.340 13.548 0.141 1.00 0.00 H new ATOM 0 HG2 ARG A 2 8.949 12.513 1.307 1.00 0.00 H new ATOM 0 HG3 ARG A 2 8.895 11.226 0.118 1.00 0.00 H new ATOM 0 HD2 ARG A 2 10.521 12.719 -1.272 1.00 0.00 H new ATOM 0 HD3 ARG A 2 10.763 13.607 0.219 1.00 0.00 H new ATOM 0 HE ARG A 2 11.092 10.693 0.472 1.00 0.00 H new ATOM 0 HH11 ARG A 2 12.631 13.801 -0.193 1.00 0.00 H new ATOM 0 HH12 ARG A 2 14.244 13.226 0.240 1.00 0.00 H new ATOM 0 HH21 ARG A 2 13.167 9.964 1.032 1.00 0.00 H new ATOM 0 HH22 ARG A 2 14.547 11.062 0.931 1.00 0.00 H new ATOM 41 N VAL A 3 7.536 9.893 -0.825 1.00 0.00 N ATOM 42 CA VAL A 3 7.009 8.689 -0.248 1.00 0.00 C ATOM 43 C VAL A 3 8.088 7.785 0.300 1.00 0.00 C ATOM 44 O VAL A 3 9.272 7.947 0.022 1.00 0.00 O ATOM 45 CB VAL A 3 6.124 7.977 -1.291 1.00 0.00 C ATOM 46 CG1 VAL A 3 6.222 6.484 -1.274 1.00 0.00 C ATOM 47 CG2 VAL A 3 4.700 8.329 -1.070 1.00 0.00 C ATOM 0 H VAL A 3 8.509 9.856 -1.130 1.00 0.00 H new ATOM 0 HA VAL A 3 6.398 8.956 0.614 1.00 0.00 H new ATOM 0 HB VAL A 3 6.494 8.322 -2.257 1.00 0.00 H new ATOM 0 HG11 VAL A 3 5.567 6.068 -2.039 1.00 0.00 H new ATOM 0 HG12 VAL A 3 7.251 6.185 -1.475 1.00 0.00 H new ATOM 0 HG13 VAL A 3 5.920 6.111 -0.295 1.00 0.00 H new ATOM 0 HG21 VAL A 3 4.081 7.822 -1.810 1.00 0.00 H new ATOM 0 HG22 VAL A 3 4.399 8.016 -0.070 1.00 0.00 H new ATOM 0 HG23 VAL A 3 4.572 9.407 -1.167 1.00 0.00 H new ATOM 57 N VAL A 4 7.661 6.826 1.089 1.00 0.00 N ATOM 58 CA VAL A 4 8.594 5.889 1.676 1.00 0.00 C ATOM 59 C VAL A 4 7.938 4.564 1.963 1.00 0.00 C ATOM 60 O VAL A 4 7.107 4.441 2.849 1.00 0.00 O ATOM 61 CB VAL A 4 9.258 6.446 2.948 1.00 0.00 C ATOM 62 CG1 VAL A 4 9.844 5.324 3.794 1.00 0.00 C ATOM 63 CG2 VAL A 4 10.335 7.436 2.558 1.00 0.00 C ATOM 0 H VAL A 4 6.684 6.674 1.338 1.00 0.00 H new ATOM 0 HA VAL A 4 9.379 5.732 0.937 1.00 0.00 H new ATOM 0 HB VAL A 4 8.502 6.952 3.549 1.00 0.00 H new ATOM 0 HG11 VAL A 4 10.307 5.745 4.686 1.00 0.00 H new ATOM 0 HG12 VAL A 4 9.050 4.637 4.087 1.00 0.00 H new ATOM 0 HG13 VAL A 4 10.595 4.786 3.215 1.00 0.00 H new ATOM 0 HG21 VAL A 4 10.807 7.833 3.457 1.00 0.00 H new ATOM 0 HG22 VAL A 4 11.084 6.936 1.945 1.00 0.00 H new ATOM 0 HG23 VAL A 4 9.890 8.254 1.991 1.00 0.00 H new ATOM 73 N PHE A 5 8.357 3.575 1.216 1.00 0.00 N ATOM 74 CA PHE A 5 7.853 2.228 1.361 1.00 0.00 C ATOM 75 C PHE A 5 8.707 1.490 2.380 1.00 0.00 C ATOM 76 O PHE A 5 9.680 2.037 2.892 1.00 0.00 O ATOM 77 CB PHE A 5 7.965 1.501 0.036 1.00 0.00 C ATOM 78 CG PHE A 5 6.995 1.904 -1.047 1.00 0.00 C ATOM 79 CD1 PHE A 5 6.459 3.196 -1.170 1.00 0.00 C ATOM 80 CD2 PHE A 5 6.644 0.958 -1.988 1.00 0.00 C ATOM 81 CE1 PHE A 5 5.599 3.498 -2.214 1.00 0.00 C ATOM 82 CE2 PHE A 5 5.799 1.252 -3.019 1.00 0.00 C ATOM 83 CZ PHE A 5 5.270 2.521 -3.142 1.00 0.00 C ATOM 0 H PHE A 5 9.061 3.679 0.485 1.00 0.00 H new ATOM 0 HA PHE A 5 6.812 2.263 1.683 1.00 0.00 H new ATOM 0 HB2 PHE A 5 8.977 1.643 -0.344 1.00 0.00 H new ATOM 0 HB3 PHE A 5 7.841 0.434 0.223 1.00 0.00 H new ATOM 0 HD1 PHE A 5 6.718 3.957 -0.449 1.00 0.00 H new ATOM 0 HD2 PHE A 5 7.048 -0.040 -1.907 1.00 0.00 H new ATOM 0 HE1 PHE A 5 5.186 4.492 -2.305 1.00 0.00 H new ATOM 0 HE2 PHE A 5 5.544 0.490 -3.740 1.00 0.00 H new ATOM 0 HZ PHE A 5 4.602 2.752 -3.958 1.00 0.00 H new ATOM 93 N ILE A 6 8.347 0.250 2.657 1.00 0.00 N ATOM 94 CA ILE A 6 9.068 -0.578 3.592 1.00 0.00 C ATOM 95 C ILE A 6 8.895 -2.049 3.241 1.00 0.00 C ATOM 96 O ILE A 6 7.949 -2.420 2.546 1.00 0.00 O ATOM 97 CB ILE A 6 8.561 -0.361 5.010 1.00 0.00 C ATOM 98 CG1 ILE A 6 8.513 1.131 5.338 1.00 0.00 C ATOM 99 CG2 ILE A 6 9.451 -1.104 5.966 1.00 0.00 C ATOM 100 CD1 ILE A 6 9.870 1.764 5.435 1.00 0.00 C ATOM 0 H ILE A 6 7.540 -0.209 2.234 1.00 0.00 H new ATOM 0 HA ILE A 6 10.120 -0.301 3.533 1.00 0.00 H new ATOM 0 HB ILE A 6 7.546 -0.746 5.102 1.00 0.00 H new ATOM 0 HG12 ILE A 6 7.934 1.646 4.571 1.00 0.00 H new ATOM 0 HG13 ILE A 6 7.987 1.271 6.282 1.00 0.00 H new ATOM 0 HG21 ILE A 6 9.095 -0.954 6.985 1.00 0.00 H new ATOM 0 HG22 ILE A 6 9.433 -2.168 5.728 1.00 0.00 H new ATOM 0 HG23 ILE A 6 10.471 -0.730 5.879 1.00 0.00 H new ATOM 0 HD11 ILE A 6 9.762 2.823 5.670 1.00 0.00 H new ATOM 0 HD12 ILE A 6 10.444 1.275 6.222 1.00 0.00 H new ATOM 0 HD13 ILE A 6 10.391 1.655 4.484 1.00 0.00 H new ATOM 112 N ASP A 7 9.803 -2.889 3.722 1.00 0.00 N ATOM 113 CA ASP A 7 9.721 -4.313 3.446 1.00 0.00 C ATOM 114 C ASP A 7 10.742 -5.095 4.267 1.00 0.00 C ATOM 115 O ASP A 7 11.374 -4.552 5.170 1.00 0.00 O ATOM 116 CB ASP A 7 9.926 -4.556 1.955 1.00 0.00 C ATOM 117 CG ASP A 7 9.193 -5.786 1.455 1.00 0.00 C ATOM 118 OD1 ASP A 7 8.828 -6.641 2.289 1.00 0.00 O ATOM 119 OD2 ASP A 7 8.985 -5.896 0.228 1.00 0.00 O ATOM 0 H ASP A 7 10.596 -2.610 4.299 1.00 0.00 H new ATOM 0 HA ASP A 7 8.731 -4.668 3.734 1.00 0.00 H new ATOM 0 HB2 ASP A 7 9.584 -3.683 1.399 1.00 0.00 H new ATOM 0 HB3 ASP A 7 10.991 -4.666 1.752 1.00 0.00 H new ATOM 124 N GLU A 8 10.888 -6.376 3.951 1.00 0.00 N ATOM 125 CA GLU A 8 11.819 -7.241 4.654 1.00 0.00 C ATOM 126 C GLU A 8 13.038 -7.553 3.789 1.00 0.00 C ATOM 127 O GLU A 8 13.938 -8.283 4.204 1.00 0.00 O ATOM 128 CB GLU A 8 11.113 -8.536 5.054 1.00 0.00 C ATOM 129 CG GLU A 8 12.054 -9.593 5.592 1.00 0.00 C ATOM 130 CD GLU A 8 11.508 -10.287 6.823 1.00 0.00 C ATOM 131 OE1 GLU A 8 11.728 -9.774 7.941 1.00 0.00 O ATOM 132 OE2 GLU A 8 10.861 -11.344 6.671 1.00 0.00 O ATOM 0 H GLU A 8 10.368 -6.839 3.206 1.00 0.00 H new ATOM 0 HA GLU A 8 12.165 -6.724 5.549 1.00 0.00 H new ATOM 0 HB2 GLU A 8 10.360 -8.312 5.810 1.00 0.00 H new ATOM 0 HB3 GLU A 8 10.586 -8.936 4.188 1.00 0.00 H new ATOM 0 HG2 GLU A 8 12.244 -10.334 4.816 1.00 0.00 H new ATOM 0 HG3 GLU A 8 13.012 -9.132 5.834 1.00 0.00 H new ATOM 139 N GLN A 9 13.067 -6.994 2.584 1.00 0.00 N ATOM 140 CA GLN A 9 14.182 -7.215 1.672 1.00 0.00 C ATOM 141 C GLN A 9 15.261 -6.163 1.892 1.00 0.00 C ATOM 142 O GLN A 9 16.455 -6.461 1.847 1.00 0.00 O ATOM 143 CB GLN A 9 13.703 -7.178 0.220 1.00 0.00 C ATOM 144 CG GLN A 9 13.428 -8.553 -0.365 1.00 0.00 C ATOM 145 CD GLN A 9 12.393 -9.327 0.427 1.00 0.00 C ATOM 146 OE1 GLN A 9 11.375 -8.627 0.916 1.00 0.00 O flip ATOM 147 NE2 GLN A 9 12.505 -10.542 0.599 1.00 0.00 N flip ATOM 0 H GLN A 9 12.334 -6.387 2.218 1.00 0.00 H new ATOM 0 HA GLN A 9 14.602 -8.200 1.876 1.00 0.00 H new ATOM 0 HB2 GLN A 9 12.794 -6.579 0.161 1.00 0.00 H new ATOM 0 HB3 GLN A 9 14.455 -6.677 -0.389 1.00 0.00 H new ATOM 0 HG2 GLN A 9 13.086 -8.444 -1.394 1.00 0.00 H new ATOM 0 HG3 GLN A 9 14.357 -9.123 -0.397 1.00 0.00 H new ATOM 0 HE21 GLN A 9 13.303 -11.041 0.206 1.00 0.00 H new ATOM 0 HE22 GLN A 9 11.800 -11.048 1.134 1.00 0.00 H new ATOM 156 N SER A 10 14.827 -4.932 2.139 1.00 0.00 N ATOM 157 CA SER A 10 15.744 -3.827 2.378 1.00 0.00 C ATOM 158 C SER A 10 15.336 -3.053 3.629 1.00 0.00 C ATOM 159 O SER A 10 15.938 -2.032 3.963 1.00 0.00 O ATOM 160 CB SER A 10 15.777 -2.892 1.168 1.00 0.00 C ATOM 161 OG SER A 10 16.868 -1.993 1.246 1.00 0.00 O ATOM 0 H SER A 10 13.841 -4.675 2.179 1.00 0.00 H new ATOM 0 HA SER A 10 16.742 -4.237 2.533 1.00 0.00 H new ATOM 0 HB2 SER A 10 15.851 -3.480 0.253 1.00 0.00 H new ATOM 0 HB3 SER A 10 14.844 -2.332 1.112 1.00 0.00 H new ATOM 0 HG SER A 10 16.905 -1.600 2.143 1.00 0.00 H new ATOM 167 N GLY A 11 14.308 -3.545 4.314 1.00 0.00 N ATOM 168 CA GLY A 11 13.830 -2.891 5.519 1.00 0.00 C ATOM 169 C GLY A 11 13.434 -1.452 5.280 1.00 0.00 C ATOM 170 O GLY A 11 13.316 -0.666 6.221 1.00 0.00 O ATOM 0 H GLY A 11 13.796 -4.388 4.055 1.00 0.00 H new ATOM 0 HA2 GLY A 11 12.973 -3.440 5.911 1.00 0.00 H new ATOM 0 HA3 GLY A 11 14.608 -2.928 6.281 1.00 0.00 H new ATOM 174 N GLU A 12 13.217 -1.112 4.020 1.00 0.00 N ATOM 175 CA GLU A 12 12.818 0.239 3.646 1.00 0.00 C ATOM 176 C GLU A 12 12.905 0.441 2.148 1.00 0.00 C ATOM 177 O GLU A 12 13.766 -0.126 1.476 1.00 0.00 O ATOM 178 CB GLU A 12 13.673 1.275 4.364 1.00 0.00 C ATOM 179 CG GLU A 12 13.500 2.682 3.815 1.00 0.00 C ATOM 180 CD GLU A 12 14.225 3.722 4.646 1.00 0.00 C ATOM 181 OE1 GLU A 12 14.891 3.336 5.631 1.00 0.00 O ATOM 182 OE2 GLU A 12 14.125 4.923 4.317 1.00 0.00 O ATOM 0 H GLU A 12 13.311 -1.755 3.234 1.00 0.00 H new ATOM 0 HA GLU A 12 11.780 0.371 3.950 1.00 0.00 H new ATOM 0 HB2 GLU A 12 13.420 1.273 5.424 1.00 0.00 H new ATOM 0 HB3 GLU A 12 14.722 0.988 4.285 1.00 0.00 H new ATOM 0 HG2 GLU A 12 13.871 2.717 2.791 1.00 0.00 H new ATOM 0 HG3 GLU A 12 12.438 2.926 3.778 1.00 0.00 H new ATOM 189 N TYR A 13 11.991 1.244 1.635 1.00 0.00 N ATOM 190 CA TYR A 13 11.937 1.521 0.217 1.00 0.00 C ATOM 191 C TYR A 13 11.472 2.955 -0.045 1.00 0.00 C ATOM 192 O TYR A 13 10.431 3.187 -0.660 1.00 0.00 O ATOM 193 CB TYR A 13 11.022 0.497 -0.439 1.00 0.00 C ATOM 194 CG TYR A 13 11.661 -0.866 -0.515 1.00 0.00 C ATOM 195 CD1 TYR A 13 11.809 -1.654 0.622 1.00 0.00 C ATOM 196 CD2 TYR A 13 12.129 -1.357 -1.717 1.00 0.00 C ATOM 197 CE1 TYR A 13 12.409 -2.902 0.555 1.00 0.00 C ATOM 198 CE2 TYR A 13 12.733 -2.593 -1.802 1.00 0.00 C ATOM 199 CZ TYR A 13 12.872 -3.368 -0.664 1.00 0.00 C ATOM 200 OH TYR A 13 13.474 -4.603 -0.742 1.00 0.00 O ATOM 0 H TYR A 13 11.274 1.717 2.185 1.00 0.00 H new ATOM 0 HA TYR A 13 12.933 1.437 -0.217 1.00 0.00 H new ATOM 0 HB2 TYR A 13 10.091 0.430 0.124 1.00 0.00 H new ATOM 0 HB3 TYR A 13 10.764 0.833 -1.443 1.00 0.00 H new ATOM 0 HD1 TYR A 13 11.451 -1.287 1.573 1.00 0.00 H new ATOM 0 HD2 TYR A 13 12.020 -0.760 -2.610 1.00 0.00 H new ATOM 0 HE1 TYR A 13 12.514 -3.505 1.445 1.00 0.00 H new ATOM 0 HE2 TYR A 13 13.096 -2.955 -2.752 1.00 0.00 H new ATOM 0 HH TYR A 13 13.740 -4.779 -1.669 1.00 0.00 H new ATOM 210 N ALA A 14 12.265 3.909 0.443 1.00 0.00 N ATOM 211 CA ALA A 14 11.970 5.335 0.290 1.00 0.00 C ATOM 212 C ALA A 14 11.701 5.700 -1.159 1.00 0.00 C ATOM 213 O ALA A 14 12.283 5.123 -2.076 1.00 0.00 O ATOM 214 CB ALA A 14 13.116 6.170 0.838 1.00 0.00 C ATOM 0 H ALA A 14 13.127 3.717 0.954 1.00 0.00 H new ATOM 0 HA ALA A 14 11.065 5.549 0.859 1.00 0.00 H new ATOM 0 HB1 ALA A 14 12.885 7.228 0.718 1.00 0.00 H new ATOM 0 HB2 ALA A 14 13.256 5.946 1.896 1.00 0.00 H new ATOM 0 HB3 ALA A 14 14.030 5.935 0.293 1.00 0.00 H new ATOM 220 N VAL A 15 10.795 6.652 -1.361 1.00 0.00 N ATOM 221 CA VAL A 15 10.440 7.072 -2.701 1.00 0.00 C ATOM 222 C VAL A 15 9.590 8.332 -2.701 1.00 0.00 C ATOM 223 O VAL A 15 9.668 9.169 -1.805 1.00 0.00 O ATOM 224 CB VAL A 15 9.722 5.917 -3.426 1.00 0.00 C ATOM 225 CG1 VAL A 15 8.276 5.744 -2.963 1.00 0.00 C ATOM 226 CG2 VAL A 15 9.804 6.079 -4.937 1.00 0.00 C ATOM 0 H VAL A 15 10.299 7.141 -0.615 1.00 0.00 H new ATOM 0 HA VAL A 15 11.357 7.319 -3.236 1.00 0.00 H new ATOM 0 HB VAL A 15 10.248 5.001 -3.155 1.00 0.00 H new ATOM 0 HG11 VAL A 15 7.817 4.917 -3.505 1.00 0.00 H new ATOM 0 HG12 VAL A 15 8.259 5.531 -1.894 1.00 0.00 H new ATOM 0 HG13 VAL A 15 7.719 6.660 -3.159 1.00 0.00 H new ATOM 0 HG21 VAL A 15 9.289 5.249 -5.420 1.00 0.00 H new ATOM 0 HG22 VAL A 15 9.333 7.018 -5.228 1.00 0.00 H new ATOM 0 HG23 VAL A 15 10.849 6.086 -5.246 1.00 0.00 H new ATOM 236 N ASP A 16 8.806 8.457 -3.735 1.00 0.00 N ATOM 237 CA ASP A 16 7.938 9.573 -3.934 1.00 0.00 C ATOM 238 C ASP A 16 6.876 9.171 -4.910 1.00 0.00 C ATOM 239 O ASP A 16 7.002 8.165 -5.601 1.00 0.00 O ATOM 240 CB ASP A 16 8.682 10.740 -4.522 1.00 0.00 C ATOM 241 CG ASP A 16 10.106 10.854 -4.015 1.00 0.00 C ATOM 242 OD1 ASP A 16 10.965 10.072 -4.476 1.00 0.00 O ATOM 243 OD2 ASP A 16 10.364 11.727 -3.159 1.00 0.00 O ATOM 0 H ASP A 16 8.755 7.763 -4.481 1.00 0.00 H new ATOM 0 HA ASP A 16 7.519 9.865 -2.971 1.00 0.00 H new ATOM 0 HB2 ASP A 16 8.696 10.645 -5.608 1.00 0.00 H new ATOM 0 HB3 ASP A 16 8.145 11.660 -4.290 1.00 0.00 H new ATOM 248 N ALA A 17 5.835 9.942 -4.965 1.00 0.00 N ATOM 249 CA ALA A 17 4.755 9.639 -5.854 1.00 0.00 C ATOM 250 C ALA A 17 4.150 10.895 -6.454 1.00 0.00 C ATOM 251 O ALA A 17 4.639 12.000 -6.233 1.00 0.00 O ATOM 252 CB ALA A 17 3.743 8.864 -5.068 1.00 0.00 C ATOM 0 H ALA A 17 5.709 10.786 -4.406 1.00 0.00 H new ATOM 0 HA ALA A 17 5.115 9.052 -6.699 1.00 0.00 H new ATOM 0 HB1 ALA A 17 2.899 8.611 -5.710 1.00 0.00 H new ATOM 0 HB2 ALA A 17 4.199 7.949 -4.691 1.00 0.00 H new ATOM 0 HB3 ALA A 17 3.393 9.467 -4.230 1.00 0.00 H new ATOM 258 N GLN A 18 3.081 10.712 -7.210 1.00 0.00 N ATOM 259 CA GLN A 18 2.389 11.828 -7.843 1.00 0.00 C ATOM 260 C GLN A 18 0.882 11.632 -7.748 1.00 0.00 C ATOM 261 O GLN A 18 0.364 10.588 -8.144 1.00 0.00 O ATOM 262 CB GLN A 18 2.808 11.961 -9.309 1.00 0.00 C ATOM 263 CG GLN A 18 4.271 11.640 -9.556 1.00 0.00 C ATOM 264 CD GLN A 18 4.647 11.732 -11.023 1.00 0.00 C ATOM 265 OE1 GLN A 18 4.992 12.933 -11.472 1.00 0.00 O flip ATOM 266 NE2 GLN A 18 4.628 10.736 -11.743 1.00 0.00 N flip ATOM 0 H GLN A 18 2.670 9.798 -7.403 1.00 0.00 H new ATOM 0 HA GLN A 18 2.663 12.744 -7.320 1.00 0.00 H new ATOM 0 HB2 GLN A 18 2.192 11.297 -9.916 1.00 0.00 H new ATOM 0 HB3 GLN A 18 2.606 12.978 -9.645 1.00 0.00 H new ATOM 0 HG2 GLN A 18 4.892 12.327 -8.981 1.00 0.00 H new ATOM 0 HG3 GLN A 18 4.486 10.635 -9.192 1.00 0.00 H new ATOM 0 HE21 GLN A 18 4.356 9.832 -11.356 1.00 0.00 H new ATOM 0 HE22 GLN A 18 4.884 10.813 -12.727 1.00 0.00 H new ATOM 275 N ASP A 19 0.182 12.632 -7.218 1.00 0.00 N ATOM 276 CA ASP A 19 -1.266 12.545 -7.077 1.00 0.00 C ATOM 277 C ASP A 19 -1.867 11.820 -8.267 1.00 0.00 C ATOM 278 O ASP A 19 -1.816 12.297 -9.401 1.00 0.00 O ATOM 279 CB ASP A 19 -1.882 13.933 -6.906 1.00 0.00 C ATOM 280 CG ASP A 19 -1.107 14.791 -5.927 1.00 0.00 C ATOM 281 OD1 ASP A 19 -1.081 14.445 -4.727 1.00 0.00 O ATOM 282 OD2 ASP A 19 -0.524 15.808 -6.359 1.00 0.00 O ATOM 0 H ASP A 19 0.591 13.504 -6.882 1.00 0.00 H new ATOM 0 HA ASP A 19 -1.493 11.972 -6.178 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -1.919 14.433 -7.874 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -2.911 13.831 -6.561 1.00 0.00 H new ATOM 287 N GLY A 20 -2.408 10.643 -7.992 1.00 0.00 N ATOM 288 CA GLY A 20 -2.990 9.827 -9.031 1.00 0.00 C ATOM 289 C GLY A 20 -2.317 8.472 -9.122 1.00 0.00 C ATOM 290 O GLY A 20 -2.734 7.619 -9.904 1.00 0.00 O ATOM 0 H GLY A 20 -2.453 10.237 -7.057 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -4.054 9.693 -8.835 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -2.904 10.341 -9.988 1.00 0.00 H new ATOM 294 N GLN A 21 -1.274 8.263 -8.310 1.00 0.00 N ATOM 295 CA GLN A 21 -0.568 6.991 -8.309 1.00 0.00 C ATOM 296 C GLN A 21 -0.691 6.322 -6.953 1.00 0.00 C ATOM 297 O GLN A 21 -0.869 6.990 -5.934 1.00 0.00 O ATOM 298 CB GLN A 21 0.908 7.190 -8.646 1.00 0.00 C ATOM 299 CG GLN A 21 1.152 7.918 -9.957 1.00 0.00 C ATOM 300 CD GLN A 21 2.486 8.644 -9.988 1.00 0.00 C ATOM 301 OE1 GLN A 21 2.726 9.482 -10.857 1.00 0.00 O ATOM 302 NE2 GLN A 21 3.364 8.325 -9.042 1.00 0.00 N ATOM 0 H GLN A 21 -0.909 8.954 -7.655 1.00 0.00 H new ATOM 0 HA GLN A 21 -1.020 6.354 -9.069 1.00 0.00 H new ATOM 0 HB2 GLN A 21 1.382 7.749 -7.839 1.00 0.00 H new ATOM 0 HB3 GLN A 21 1.395 6.216 -8.688 1.00 0.00 H new ATOM 0 HG2 GLN A 21 1.114 7.202 -10.778 1.00 0.00 H new ATOM 0 HG3 GLN A 21 0.349 8.636 -10.124 1.00 0.00 H new ATOM 0 HE21 GLN A 21 3.125 7.625 -8.340 1.00 0.00 H new ATOM 0 HE22 GLN A 21 4.276 8.781 -9.018 1.00 0.00 H new ATOM 311 N SER A 22 -0.603 5.001 -6.939 1.00 0.00 N ATOM 312 CA SER A 22 -0.713 4.262 -5.697 1.00 0.00 C ATOM 313 C SER A 22 0.654 3.882 -5.150 1.00 0.00 C ATOM 314 O SER A 22 1.687 4.286 -5.683 1.00 0.00 O ATOM 315 CB SER A 22 -1.563 3.006 -5.894 1.00 0.00 C ATOM 316 OG SER A 22 -0.930 2.097 -6.778 1.00 0.00 O ATOM 0 H SER A 22 -0.457 4.425 -7.768 1.00 0.00 H new ATOM 0 HA SER A 22 -1.199 4.913 -4.971 1.00 0.00 H new ATOM 0 HB2 SER A 22 -1.734 2.524 -4.932 1.00 0.00 H new ATOM 0 HB3 SER A 22 -2.540 3.282 -6.290 1.00 0.00 H new ATOM 0 HG SER A 22 -1.610 1.579 -7.257 1.00 0.00 H new ATOM 322 N LEU A 23 0.644 3.100 -4.078 1.00 0.00 N ATOM 323 CA LEU A 23 1.881 2.657 -3.441 1.00 0.00 C ATOM 324 C LEU A 23 2.331 1.316 -4.003 1.00 0.00 C ATOM 325 O LEU A 23 3.294 0.719 -3.523 1.00 0.00 O ATOM 326 CB LEU A 23 1.685 2.565 -1.933 1.00 0.00 C ATOM 327 CG LEU A 23 1.443 3.904 -1.228 1.00 0.00 C ATOM 328 CD1 LEU A 23 0.930 4.957 -2.204 1.00 0.00 C ATOM 329 CD2 LEU A 23 0.463 3.724 -0.085 1.00 0.00 C ATOM 0 H LEU A 23 -0.206 2.759 -3.630 1.00 0.00 H new ATOM 0 HA LEU A 23 2.661 3.389 -3.652 1.00 0.00 H new ATOM 0 HB2 LEU A 23 0.839 1.907 -1.731 1.00 0.00 H new ATOM 0 HB3 LEU A 23 2.566 2.095 -1.495 1.00 0.00 H new ATOM 0 HG LEU A 23 2.395 4.252 -0.828 1.00 0.00 H new ATOM 0 HD11 LEU A 23 0.768 5.896 -1.674 1.00 0.00 H new ATOM 0 HD12 LEU A 23 1.665 5.109 -2.995 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -0.010 4.620 -2.642 1.00 0.00 H new ATOM 0 HD21 LEU A 23 0.299 4.682 0.408 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -0.484 3.349 -0.473 1.00 0.00 H new ATOM 0 HD23 LEU A 23 0.868 3.011 0.633 1.00 0.00 H new ATOM 341 N MET A 24 1.639 0.860 -5.039 1.00 0.00 N ATOM 342 CA MET A 24 1.975 -0.395 -5.690 1.00 0.00 C ATOM 343 C MET A 24 2.800 -0.102 -6.935 1.00 0.00 C ATOM 344 O MET A 24 3.614 -0.919 -7.366 1.00 0.00 O ATOM 345 CB MET A 24 0.700 -1.182 -6.043 1.00 0.00 C ATOM 346 CG MET A 24 0.643 -1.680 -7.482 1.00 0.00 C ATOM 347 SD MET A 24 -0.537 -3.023 -7.713 1.00 0.00 S ATOM 348 CE MET A 24 -1.226 -2.587 -9.308 1.00 0.00 C ATOM 0 H MET A 24 0.839 1.344 -5.446 1.00 0.00 H new ATOM 0 HA MET A 24 2.562 -1.013 -5.010 1.00 0.00 H new ATOM 0 HB2 MET A 24 0.619 -2.037 -5.372 1.00 0.00 H new ATOM 0 HB3 MET A 24 -0.167 -0.548 -5.857 1.00 0.00 H new ATOM 0 HG2 MET A 24 0.376 -0.851 -8.138 1.00 0.00 H new ATOM 0 HG3 MET A 24 1.634 -2.018 -7.784 1.00 0.00 H new ATOM 0 HE1 MET A 24 -2.060 -3.250 -9.538 1.00 0.00 H new ATOM 0 HE2 MET A 24 -1.579 -1.556 -9.282 1.00 0.00 H new ATOM 0 HE3 MET A 24 -0.459 -2.689 -10.076 1.00 0.00 H new ATOM 358 N GLU A 25 2.583 1.081 -7.501 1.00 0.00 N ATOM 359 CA GLU A 25 3.306 1.498 -8.690 1.00 0.00 C ATOM 360 C GLU A 25 4.579 2.209 -8.316 1.00 0.00 C ATOM 361 O GLU A 25 5.612 1.993 -8.950 1.00 0.00 O ATOM 362 CB GLU A 25 2.436 2.387 -9.581 1.00 0.00 C ATOM 363 CG GLU A 25 3.198 3.026 -10.730 1.00 0.00 C ATOM 364 CD GLU A 25 3.170 4.541 -10.678 1.00 0.00 C ATOM 365 OE1 GLU A 25 3.864 5.117 -9.814 1.00 0.00 O ATOM 366 OE2 GLU A 25 2.455 5.151 -11.501 1.00 0.00 O ATOM 0 H GLU A 25 1.912 1.765 -7.153 1.00 0.00 H new ATOM 0 HA GLU A 25 3.564 0.603 -9.256 1.00 0.00 H new ATOM 0 HB2 GLU A 25 1.617 1.792 -9.985 1.00 0.00 H new ATOM 0 HB3 GLU A 25 1.989 3.172 -8.971 1.00 0.00 H new ATOM 0 HG2 GLU A 25 4.233 2.685 -10.709 1.00 0.00 H new ATOM 0 HG3 GLU A 25 2.771 2.691 -11.675 1.00 0.00 H new ATOM 373 N VAL A 26 4.548 3.034 -7.273 1.00 0.00 N ATOM 374 CA VAL A 26 5.776 3.688 -6.883 1.00 0.00 C ATOM 375 C VAL A 26 6.841 2.621 -6.785 1.00 0.00 C ATOM 376 O VAL A 26 7.862 2.658 -7.457 1.00 0.00 O ATOM 377 CB VAL A 26 5.733 4.430 -5.539 1.00 0.00 C ATOM 378 CG1 VAL A 26 6.525 5.690 -5.677 1.00 0.00 C ATOM 379 CG2 VAL A 26 4.348 4.757 -5.081 1.00 0.00 C ATOM 0 H VAL A 26 3.725 3.254 -6.711 1.00 0.00 H new ATOM 0 HA VAL A 26 5.971 4.450 -7.638 1.00 0.00 H new ATOM 0 HB VAL A 26 6.155 3.768 -4.783 1.00 0.00 H new ATOM 0 HG11 VAL A 26 6.509 6.235 -4.733 1.00 0.00 H new ATOM 0 HG12 VAL A 26 7.555 5.446 -5.937 1.00 0.00 H new ATOM 0 HG13 VAL A 26 6.090 6.309 -6.461 1.00 0.00 H new ATOM 0 HG21 VAL A 26 4.395 5.280 -4.126 1.00 0.00 H new ATOM 0 HG22 VAL A 26 3.861 5.393 -5.820 1.00 0.00 H new ATOM 0 HG23 VAL A 26 3.777 3.836 -4.963 1.00 0.00 H new ATOM 389 N ALA A 27 6.545 1.654 -5.937 1.00 0.00 N ATOM 390 CA ALA A 27 7.422 0.524 -5.696 1.00 0.00 C ATOM 391 C ALA A 27 8.298 0.195 -6.891 1.00 0.00 C ATOM 392 O ALA A 27 9.499 0.465 -6.893 1.00 0.00 O ATOM 393 CB ALA A 27 6.613 -0.714 -5.345 1.00 0.00 C ATOM 0 H ALA A 27 5.683 1.631 -5.392 1.00 0.00 H new ATOM 0 HA ALA A 27 8.065 0.814 -4.865 1.00 0.00 H new ATOM 0 HB1 ALA A 27 7.288 -1.551 -5.168 1.00 0.00 H new ATOM 0 HB2 ALA A 27 6.027 -0.523 -4.446 1.00 0.00 H new ATOM 0 HB3 ALA A 27 5.943 -0.957 -6.170 1.00 0.00 H new ATOM 399 N THR A 28 7.690 -0.418 -7.897 1.00 0.00 N ATOM 400 CA THR A 28 8.425 -0.816 -9.087 1.00 0.00 C ATOM 401 C THR A 28 9.283 0.341 -9.570 1.00 0.00 C ATOM 402 O THR A 28 10.352 0.141 -10.147 1.00 0.00 O ATOM 403 CB THR A 28 7.476 -1.271 -10.202 1.00 0.00 C ATOM 404 OG1 THR A 28 7.333 -0.258 -11.181 1.00 0.00 O ATOM 405 CG2 THR A 28 6.087 -1.644 -9.726 1.00 0.00 C ATOM 0 H THR A 28 6.697 -0.649 -7.913 1.00 0.00 H new ATOM 0 HA THR A 28 9.064 -1.660 -8.828 1.00 0.00 H new ATOM 0 HB THR A 28 7.943 -2.167 -10.611 1.00 0.00 H new ATOM 0 HG1 THR A 28 6.725 -0.567 -11.885 1.00 0.00 H new ATOM 0 HG21 THR A 28 5.481 -1.954 -10.578 1.00 0.00 H new ATOM 0 HG22 THR A 28 6.155 -2.465 -9.012 1.00 0.00 H new ATOM 0 HG23 THR A 28 5.623 -0.782 -9.246 1.00 0.00 H new ATOM 413 N GLN A 29 8.817 1.555 -9.307 1.00 0.00 N ATOM 414 CA GLN A 29 9.556 2.751 -9.694 1.00 0.00 C ATOM 415 C GLN A 29 10.688 3.040 -8.708 1.00 0.00 C ATOM 416 O GLN A 29 11.727 3.585 -9.082 1.00 0.00 O ATOM 417 CB GLN A 29 8.619 3.957 -9.790 1.00 0.00 C ATOM 418 CG GLN A 29 7.409 3.721 -10.678 1.00 0.00 C ATOM 419 CD GLN A 29 7.100 4.908 -11.572 1.00 0.00 C ATOM 420 OE1 GLN A 29 7.710 5.079 -12.628 1.00 0.00 O ATOM 421 NE2 GLN A 29 6.151 5.734 -11.150 1.00 0.00 N ATOM 0 H GLN A 29 7.935 1.738 -8.829 1.00 0.00 H new ATOM 0 HA GLN A 29 9.994 2.569 -10.675 1.00 0.00 H new ATOM 0 HB2 GLN A 29 8.278 4.222 -8.789 1.00 0.00 H new ATOM 0 HB3 GLN A 29 9.178 4.811 -10.172 1.00 0.00 H new ATOM 0 HG2 GLN A 29 7.583 2.841 -11.297 1.00 0.00 H new ATOM 0 HG3 GLN A 29 6.542 3.505 -10.054 1.00 0.00 H new ATOM 0 HE21 GLN A 29 5.672 5.552 -10.268 1.00 0.00 H new ATOM 0 HE22 GLN A 29 5.901 6.550 -11.708 1.00 0.00 H new ATOM 430 N ASN A 30 10.471 2.680 -7.450 1.00 0.00 N ATOM 431 CA ASN A 30 11.463 2.904 -6.392 1.00 0.00 C ATOM 432 C ASN A 30 12.435 1.734 -6.282 1.00 0.00 C ATOM 433 O ASN A 30 13.240 1.672 -5.354 1.00 0.00 O ATOM 434 CB ASN A 30 10.753 3.083 -5.047 1.00 0.00 C ATOM 435 CG ASN A 30 9.276 3.378 -5.219 1.00 0.00 C ATOM 436 OD1 ASN A 30 8.889 4.072 -6.152 1.00 0.00 O ATOM 437 ND2 ASN A 30 8.451 2.874 -4.319 1.00 0.00 N ATOM 0 H ASN A 30 9.614 2.229 -7.130 1.00 0.00 H new ATOM 0 HA ASN A 30 12.025 3.802 -6.649 1.00 0.00 H new ATOM 0 HB2 ASN A 30 10.875 2.179 -4.450 1.00 0.00 H new ATOM 0 HB3 ASN A 30 11.223 3.896 -4.494 1.00 0.00 H new ATOM 0 HD21 ASN A 30 7.450 3.058 -4.385 1.00 0.00 H new ATOM 0 HD22 ASN A 30 8.815 2.301 -3.558 1.00 0.00 H new ATOM 444 N GLY A 31 12.333 0.792 -7.211 1.00 0.00 N ATOM 445 CA GLY A 31 13.191 -0.380 -7.169 1.00 0.00 C ATOM 446 C GLY A 31 12.629 -1.433 -6.233 1.00 0.00 C ATOM 447 O GLY A 31 13.129 -2.557 -6.163 1.00 0.00 O ATOM 0 H GLY A 31 11.675 0.816 -7.990 1.00 0.00 H new ATOM 0 HA2 GLY A 31 13.293 -0.796 -8.171 1.00 0.00 H new ATOM 0 HA3 GLY A 31 14.190 -0.092 -6.840 1.00 0.00 H new ATOM 451 N VAL A 32 11.572 -1.052 -5.525 1.00 0.00 N ATOM 452 CA VAL A 32 10.886 -1.924 -4.586 1.00 0.00 C ATOM 453 C VAL A 32 10.571 -3.263 -5.250 1.00 0.00 C ATOM 454 O VAL A 32 10.599 -3.378 -6.475 1.00 0.00 O ATOM 455 CB VAL A 32 9.592 -1.222 -4.096 1.00 0.00 C ATOM 456 CG1 VAL A 32 9.035 -1.796 -2.814 1.00 0.00 C ATOM 457 CG2 VAL A 32 9.833 0.259 -3.888 1.00 0.00 C ATOM 0 H VAL A 32 11.165 -0.119 -5.589 1.00 0.00 H new ATOM 0 HA VAL A 32 11.525 -2.122 -3.726 1.00 0.00 H new ATOM 0 HB VAL A 32 8.858 -1.393 -4.883 1.00 0.00 H new ATOM 0 HG11 VAL A 32 8.131 -1.254 -2.535 1.00 0.00 H new ATOM 0 HG12 VAL A 32 8.796 -2.849 -2.961 1.00 0.00 H new ATOM 0 HG13 VAL A 32 9.776 -1.699 -2.020 1.00 0.00 H new ATOM 0 HG21 VAL A 32 8.913 0.733 -3.544 1.00 0.00 H new ATOM 0 HG22 VAL A 32 10.614 0.399 -3.141 1.00 0.00 H new ATOM 0 HG23 VAL A 32 10.145 0.712 -4.829 1.00 0.00 H new ATOM 467 N PRO A 33 10.294 -4.303 -4.448 1.00 0.00 N ATOM 468 CA PRO A 33 10.000 -5.650 -4.949 1.00 0.00 C ATOM 469 C PRO A 33 8.686 -5.703 -5.724 1.00 0.00 C ATOM 470 O PRO A 33 8.325 -6.738 -6.283 1.00 0.00 O ATOM 471 CB PRO A 33 9.954 -6.495 -3.657 1.00 0.00 C ATOM 472 CG PRO A 33 10.663 -5.647 -2.646 1.00 0.00 C ATOM 473 CD PRO A 33 10.258 -4.269 -2.989 1.00 0.00 C ATOM 0 HA PRO A 33 10.738 -6.010 -5.666 1.00 0.00 H new ATOM 0 HB2 PRO A 33 8.928 -6.705 -3.353 1.00 0.00 H new ATOM 0 HB3 PRO A 33 10.450 -7.456 -3.791 1.00 0.00 H new ATOM 0 HG2 PRO A 33 10.369 -5.908 -1.629 1.00 0.00 H new ATOM 0 HG3 PRO A 33 11.744 -5.772 -2.707 1.00 0.00 H new ATOM 0 HD2 PRO A 33 9.265 -4.028 -2.610 1.00 0.00 H new ATOM 0 HD3 PRO A 33 10.944 -3.527 -2.580 1.00 0.00 H new ATOM 481 N GLY A 34 7.993 -4.565 -5.767 1.00 0.00 N ATOM 482 CA GLY A 34 6.739 -4.467 -6.488 1.00 0.00 C ATOM 483 C GLY A 34 5.979 -5.769 -6.539 1.00 0.00 C ATOM 484 O GLY A 34 5.813 -6.345 -7.612 1.00 0.00 O ATOM 0 H GLY A 34 8.285 -3.702 -5.309 1.00 0.00 H new ATOM 0 HA2 GLY A 34 6.115 -3.708 -6.017 1.00 0.00 H new ATOM 0 HA3 GLY A 34 6.938 -4.130 -7.505 1.00 0.00 H new ATOM 488 N ILE A 35 5.521 -6.215 -5.368 1.00 0.00 N ATOM 489 CA ILE A 35 4.753 -7.460 -5.225 1.00 0.00 C ATOM 490 C ILE A 35 4.621 -8.219 -6.543 1.00 0.00 C ATOM 491 O ILE A 35 5.238 -9.268 -6.731 1.00 0.00 O ATOM 492 CB ILE A 35 3.343 -7.178 -4.673 1.00 0.00 C ATOM 493 CG1 ILE A 35 3.416 -6.187 -3.512 1.00 0.00 C ATOM 494 CG2 ILE A 35 2.677 -8.472 -4.232 1.00 0.00 C ATOM 495 CD1 ILE A 35 3.167 -4.753 -3.926 1.00 0.00 C ATOM 0 H ILE A 35 5.671 -5.723 -4.487 1.00 0.00 H new ATOM 0 HA ILE A 35 5.311 -8.080 -4.524 1.00 0.00 H new ATOM 0 HB ILE A 35 2.740 -6.736 -5.466 1.00 0.00 H new ATOM 0 HG12 ILE A 35 2.684 -6.471 -2.756 1.00 0.00 H new ATOM 0 HG13 ILE A 35 4.399 -6.257 -3.046 1.00 0.00 H new ATOM 0 HG21 ILE A 35 1.682 -8.255 -3.845 1.00 0.00 H new ATOM 0 HG22 ILE A 35 2.596 -9.148 -5.083 1.00 0.00 H new ATOM 0 HG23 ILE A 35 3.276 -8.942 -3.452 1.00 0.00 H new ATOM 0 HD11 ILE A 35 3.234 -4.105 -3.052 1.00 0.00 H new ATOM 0 HD12 ILE A 35 3.914 -4.451 -4.660 1.00 0.00 H new ATOM 0 HD13 ILE A 35 2.173 -4.668 -4.365 1.00 0.00 H new ATOM 507 N VAL A 36 3.819 -7.676 -7.454 1.00 0.00 N ATOM 508 CA VAL A 36 3.611 -8.291 -8.761 1.00 0.00 C ATOM 509 C VAL A 36 2.349 -7.753 -9.426 1.00 0.00 C ATOM 510 O VAL A 36 2.362 -7.397 -10.605 1.00 0.00 O ATOM 511 CB VAL A 36 3.514 -9.826 -8.656 1.00 0.00 C ATOM 512 CG1 VAL A 36 2.598 -10.231 -7.510 1.00 0.00 C ATOM 513 CG2 VAL A 36 3.031 -10.422 -9.970 1.00 0.00 C ATOM 0 H VAL A 36 3.301 -6.809 -7.311 1.00 0.00 H new ATOM 0 HA VAL A 36 4.477 -8.035 -9.372 1.00 0.00 H new ATOM 0 HB VAL A 36 4.509 -10.219 -8.448 1.00 0.00 H new ATOM 0 HG11 VAL A 36 2.544 -11.318 -7.454 1.00 0.00 H new ATOM 0 HG12 VAL A 36 2.993 -9.839 -6.573 1.00 0.00 H new ATOM 0 HG13 VAL A 36 1.600 -9.827 -7.681 1.00 0.00 H new ATOM 0 HG21 VAL A 36 2.969 -11.506 -9.877 1.00 0.00 H new ATOM 0 HG22 VAL A 36 2.046 -10.021 -10.211 1.00 0.00 H new ATOM 0 HG23 VAL A 36 3.731 -10.166 -10.765 1.00 0.00 H new ATOM 523 N ALA A 37 1.261 -7.693 -8.665 1.00 0.00 N ATOM 524 CA ALA A 37 -0.009 -7.197 -9.182 1.00 0.00 C ATOM 525 C ALA A 37 -0.407 -7.937 -10.455 1.00 0.00 C ATOM 526 O ALA A 37 -0.015 -7.554 -11.556 1.00 0.00 O ATOM 527 CB ALA A 37 0.077 -5.701 -9.444 1.00 0.00 C ATOM 0 H ALA A 37 1.234 -7.982 -7.687 1.00 0.00 H new ATOM 0 HA ALA A 37 -0.777 -7.379 -8.430 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -0.878 -5.344 -9.830 1.00 0.00 H new ATOM 0 HB2 ALA A 37 0.310 -5.182 -8.514 1.00 0.00 H new ATOM 0 HB3 ALA A 37 0.860 -5.504 -10.176 1.00 0.00 H new ATOM 533 N GLU A 38 -1.186 -9.002 -10.295 1.00 0.00 N ATOM 534 CA GLU A 38 -1.632 -9.798 -11.433 1.00 0.00 C ATOM 535 C GLU A 38 -2.921 -9.240 -12.026 1.00 0.00 C ATOM 536 O GLU A 38 -3.113 -9.257 -13.242 1.00 0.00 O ATOM 537 CB GLU A 38 -1.839 -11.255 -11.013 1.00 0.00 C ATOM 538 CG GLU A 38 -2.488 -12.110 -12.089 1.00 0.00 C ATOM 539 CD GLU A 38 -3.522 -13.065 -11.526 1.00 0.00 C ATOM 540 OE1 GLU A 38 -4.117 -12.745 -10.476 1.00 0.00 O ATOM 541 OE2 GLU A 38 -3.737 -14.133 -12.137 1.00 0.00 O ATOM 0 H GLU A 38 -1.521 -9.333 -9.390 1.00 0.00 H new ATOM 0 HA GLU A 38 -0.857 -9.752 -12.198 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -0.875 -11.689 -10.748 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -2.458 -11.282 -10.116 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -2.960 -11.462 -12.828 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -1.718 -12.679 -12.610 1.00 0.00 H new ATOM 548 N CYS A 39 -3.805 -8.749 -11.164 1.00 0.00 N ATOM 549 CA CYS A 39 -5.077 -8.193 -11.611 1.00 0.00 C ATOM 550 C CYS A 39 -4.859 -6.955 -12.483 1.00 0.00 C ATOM 551 O CYS A 39 -5.777 -6.492 -13.159 1.00 0.00 O ATOM 552 CB CYS A 39 -5.972 -7.870 -10.409 1.00 0.00 C ATOM 553 SG CYS A 39 -5.435 -6.436 -9.421 1.00 0.00 S ATOM 0 H CYS A 39 -3.665 -8.725 -10.154 1.00 0.00 H new ATOM 0 HA CYS A 39 -5.582 -8.942 -12.221 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -6.985 -7.688 -10.767 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -6.015 -8.745 -9.760 1.00 0.00 H new ATOM 558 N GLY A 40 -3.632 -6.438 -12.479 1.00 0.00 N ATOM 559 CA GLY A 40 -3.303 -5.273 -13.290 1.00 0.00 C ATOM 560 C GLY A 40 -3.962 -3.992 -12.807 1.00 0.00 C ATOM 561 O GLY A 40 -3.781 -2.933 -13.406 1.00 0.00 O ATOM 0 H GLY A 40 -2.857 -6.805 -11.927 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -2.222 -5.137 -13.294 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -3.604 -5.461 -14.321 1.00 0.00 H new ATOM 565 N GLY A 41 -4.725 -4.087 -11.728 1.00 0.00 N ATOM 566 CA GLY A 41 -5.399 -2.921 -11.189 1.00 0.00 C ATOM 567 C GLY A 41 -6.898 -2.967 -11.410 1.00 0.00 C ATOM 568 O GLY A 41 -7.524 -1.943 -11.681 1.00 0.00 O ATOM 0 H GLY A 41 -4.890 -4.952 -11.214 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -5.194 -2.847 -10.121 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -4.993 -2.023 -11.654 1.00 0.00 H new ATOM 572 N SER A 42 -7.472 -4.160 -11.294 1.00 0.00 N ATOM 573 CA SER A 42 -8.907 -4.341 -11.483 1.00 0.00 C ATOM 574 C SER A 42 -9.516 -5.106 -10.313 1.00 0.00 C ATOM 575 O SER A 42 -10.621 -5.638 -10.414 1.00 0.00 O ATOM 576 CB SER A 42 -9.176 -5.090 -12.790 1.00 0.00 C ATOM 577 OG SER A 42 -8.057 -5.872 -13.169 1.00 0.00 O ATOM 0 H SER A 42 -6.965 -5.016 -11.070 1.00 0.00 H new ATOM 0 HA SER A 42 -9.371 -3.356 -11.532 1.00 0.00 H new ATOM 0 HB2 SER A 42 -10.049 -5.732 -12.672 1.00 0.00 H new ATOM 0 HB3 SER A 42 -9.410 -4.377 -13.580 1.00 0.00 H new ATOM 0 HG SER A 42 -7.277 -5.291 -13.286 1.00 0.00 H new ATOM 583 N CYS A 43 -8.786 -5.160 -9.202 1.00 0.00 N ATOM 584 CA CYS A 43 -9.253 -5.863 -8.014 1.00 0.00 C ATOM 585 C CYS A 43 -9.594 -7.313 -8.345 1.00 0.00 C ATOM 586 O CYS A 43 -10.751 -7.723 -8.263 1.00 0.00 O ATOM 587 CB CYS A 43 -10.476 -5.158 -7.424 1.00 0.00 C ATOM 588 SG CYS A 43 -10.800 -5.567 -5.694 1.00 0.00 S ATOM 0 H CYS A 43 -7.869 -4.725 -9.101 1.00 0.00 H new ATOM 0 HA CYS A 43 -8.451 -5.855 -7.276 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -10.338 -4.080 -7.512 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -11.353 -5.417 -8.018 1.00 0.00 H new ATOM 0 HG CYS A 43 -11.851 -4.921 -5.285 1.00 0.00 H new ATOM 594 N VAL A 44 -8.576 -8.080 -8.721 1.00 0.00 N ATOM 595 CA VAL A 44 -8.763 -9.484 -9.067 1.00 0.00 C ATOM 596 C VAL A 44 -7.806 -10.377 -8.286 1.00 0.00 C ATOM 597 O VAL A 44 -7.829 -11.600 -8.426 1.00 0.00 O ATOM 598 CB VAL A 44 -8.552 -9.723 -10.574 1.00 0.00 C ATOM 599 CG1 VAL A 44 -8.949 -11.142 -10.952 1.00 0.00 C ATOM 600 CG2 VAL A 44 -9.334 -8.706 -11.390 1.00 0.00 C ATOM 0 H VAL A 44 -7.613 -7.753 -8.794 1.00 0.00 H new ATOM 0 HA VAL A 44 -9.790 -9.739 -8.804 1.00 0.00 H new ATOM 0 HB VAL A 44 -7.493 -9.597 -10.798 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -8.793 -11.291 -12.020 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -8.339 -11.852 -10.393 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -10.001 -11.301 -10.713 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -9.173 -8.890 -12.452 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -10.396 -8.797 -11.163 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -8.994 -7.701 -11.141 1.00 0.00 H new ATOM 610 N CYS A 45 -6.962 -9.760 -7.464 1.00 0.00 N ATOM 611 CA CYS A 45 -5.998 -10.503 -6.663 1.00 0.00 C ATOM 612 C CYS A 45 -5.963 -9.979 -5.232 1.00 0.00 C ATOM 613 O CYS A 45 -6.674 -9.035 -4.888 1.00 0.00 O ATOM 614 CB CYS A 45 -4.606 -10.415 -7.293 1.00 0.00 C ATOM 615 SG CYS A 45 -3.623 -8.975 -6.756 1.00 0.00 S ATOM 0 H CYS A 45 -6.927 -8.749 -7.336 1.00 0.00 H new ATOM 0 HA CYS A 45 -6.309 -11.548 -6.637 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -4.055 -11.325 -7.055 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -4.713 -10.382 -8.377 1.00 0.00 H new ATOM 620 N ALA A 46 -5.131 -10.597 -4.399 1.00 0.00 N ATOM 621 CA ALA A 46 -5.005 -10.189 -3.006 1.00 0.00 C ATOM 622 C ALA A 46 -3.571 -10.350 -2.510 1.00 0.00 C ATOM 623 O ALA A 46 -3.326 -10.420 -1.307 1.00 0.00 O ATOM 624 CB ALA A 46 -5.958 -10.991 -2.133 1.00 0.00 C ATOM 0 H ALA A 46 -4.535 -11.381 -4.665 1.00 0.00 H new ATOM 0 HA ALA A 46 -5.267 -9.133 -2.940 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -5.853 -10.676 -1.095 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -6.983 -10.821 -2.462 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -5.722 -12.052 -2.216 1.00 0.00 H new ATOM 630 N THR A 47 -2.628 -10.404 -3.444 1.00 0.00 N ATOM 631 CA THR A 47 -1.219 -10.555 -3.097 1.00 0.00 C ATOM 632 C THR A 47 -0.566 -9.196 -2.867 1.00 0.00 C ATOM 633 O THR A 47 0.408 -9.081 -2.124 1.00 0.00 O ATOM 634 CB THR A 47 -0.476 -11.307 -4.202 1.00 0.00 C ATOM 635 OG1 THR A 47 -1.062 -12.576 -4.426 1.00 0.00 O ATOM 636 CG2 THR A 47 0.989 -11.524 -3.893 1.00 0.00 C ATOM 0 H THR A 47 -2.813 -10.346 -4.445 1.00 0.00 H new ATOM 0 HA THR A 47 -1.160 -11.129 -2.172 1.00 0.00 H new ATOM 0 HB THR A 47 -0.555 -10.676 -5.087 1.00 0.00 H new ATOM 0 HG1 THR A 47 -0.574 -13.041 -5.137 1.00 0.00 H new ATOM 0 HG21 THR A 47 1.459 -12.063 -4.716 1.00 0.00 H new ATOM 0 HG22 THR A 47 1.480 -10.560 -3.763 1.00 0.00 H new ATOM 0 HG23 THR A 47 1.085 -12.106 -2.977 1.00 0.00 H new ATOM 644 N CYS A 48 -1.110 -8.171 -3.512 1.00 0.00 N ATOM 645 CA CYS A 48 -0.585 -6.818 -3.383 1.00 0.00 C ATOM 646 C CYS A 48 -0.742 -6.301 -1.958 1.00 0.00 C ATOM 647 O CYS A 48 -0.196 -5.255 -1.610 1.00 0.00 O ATOM 648 CB CYS A 48 -1.307 -5.879 -4.346 1.00 0.00 C ATOM 649 SG CYS A 48 -3.071 -5.653 -3.959 1.00 0.00 S ATOM 0 H CYS A 48 -1.917 -8.252 -4.131 1.00 0.00 H new ATOM 0 HA CYS A 48 0.477 -6.847 -3.628 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -0.813 -4.907 -4.331 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -1.213 -6.269 -5.359 1.00 0.00 H new ATOM 654 N ARG A 49 -1.500 -7.037 -1.145 1.00 0.00 N ATOM 655 CA ARG A 49 -1.747 -6.657 0.244 1.00 0.00 C ATOM 656 C ARG A 49 -0.586 -5.852 0.824 1.00 0.00 C ATOM 657 O ARG A 49 0.337 -6.412 1.416 1.00 0.00 O ATOM 658 CB ARG A 49 -1.990 -7.906 1.096 1.00 0.00 C ATOM 659 CG ARG A 49 -3.344 -7.917 1.788 1.00 0.00 C ATOM 660 CD ARG A 49 -3.431 -9.024 2.827 1.00 0.00 C ATOM 661 NE ARG A 49 -2.485 -8.825 3.921 1.00 0.00 N ATOM 662 CZ ARG A 49 -2.549 -9.479 5.077 1.00 0.00 C ATOM 663 NH1 ARG A 49 -3.505 -10.374 5.284 1.00 0.00 N ATOM 664 NH2 ARG A 49 -1.653 -9.240 6.026 1.00 0.00 N ATOM 0 H ARG A 49 -1.956 -7.905 -1.428 1.00 0.00 H new ATOM 0 HA ARG A 49 -2.635 -6.025 0.261 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -1.908 -8.789 0.463 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -1.206 -7.980 1.849 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -3.517 -6.953 2.267 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -4.132 -8.050 1.046 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -4.444 -9.066 3.227 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -3.236 -9.985 2.350 1.00 0.00 H new ATOM 0 HE ARG A 49 -1.734 -8.147 3.792 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -4.194 -10.562 4.556 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -3.552 -10.874 6.172 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -0.914 -8.554 5.869 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -1.703 -9.742 6.912 1.00 0.00 H new ATOM 678 N ILE A 50 -0.644 -4.533 0.654 1.00 0.00 N ATOM 679 CA ILE A 50 0.396 -3.650 1.166 1.00 0.00 C ATOM 680 C ILE A 50 -0.007 -3.080 2.521 1.00 0.00 C ATOM 681 O ILE A 50 -1.138 -3.266 2.967 1.00 0.00 O ATOM 682 CB ILE A 50 0.693 -2.496 0.180 1.00 0.00 C ATOM 683 CG1 ILE A 50 2.132 -2.003 0.353 1.00 0.00 C ATOM 684 CG2 ILE A 50 -0.291 -1.351 0.372 1.00 0.00 C ATOM 685 CD1 ILE A 50 2.653 -1.228 -0.837 1.00 0.00 C ATOM 0 H ILE A 50 -1.401 -4.054 0.166 1.00 0.00 H new ATOM 0 HA ILE A 50 1.303 -4.243 1.281 1.00 0.00 H new ATOM 0 HB ILE A 50 0.576 -2.876 -0.835 1.00 0.00 H new ATOM 0 HG12 ILE A 50 2.187 -1.371 1.240 1.00 0.00 H new ATOM 0 HG13 ILE A 50 2.782 -2.860 0.531 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -0.061 -0.552 -0.333 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -1.305 -1.710 0.196 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -0.212 -0.970 1.390 1.00 0.00 H new ATOM 0 HD11 ILE A 50 3.678 -0.910 -0.644 1.00 0.00 H new ATOM 0 HD12 ILE A 50 2.631 -1.863 -1.723 1.00 0.00 H new ATOM 0 HD13 ILE A 50 2.027 -0.352 -1.003 1.00 0.00 H new ATOM 697 N GLU A 51 0.920 -2.394 3.177 1.00 0.00 N ATOM 698 CA GLU A 51 0.643 -1.815 4.485 1.00 0.00 C ATOM 699 C GLU A 51 1.171 -0.388 4.597 1.00 0.00 C ATOM 700 O GLU A 51 2.379 -0.158 4.567 1.00 0.00 O ATOM 701 CB GLU A 51 1.263 -2.680 5.581 1.00 0.00 C ATOM 702 CG GLU A 51 0.351 -3.789 6.076 1.00 0.00 C ATOM 703 CD GLU A 51 0.998 -4.627 7.160 1.00 0.00 C ATOM 704 OE1 GLU A 51 1.996 -4.163 7.751 1.00 0.00 O ATOM 705 OE2 GLU A 51 0.512 -5.749 7.416 1.00 0.00 O ATOM 0 H GLU A 51 1.864 -2.226 2.828 1.00 0.00 H new ATOM 0 HA GLU A 51 -0.440 -1.783 4.608 1.00 0.00 H new ATOM 0 HB2 GLU A 51 2.185 -3.122 5.204 1.00 0.00 H new ATOM 0 HB3 GLU A 51 1.535 -2.043 6.423 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -0.572 -3.353 6.459 1.00 0.00 H new ATOM 0 HG3 GLU A 51 0.077 -4.431 5.239 1.00 0.00 H new ATOM 712 N ILE A 52 0.257 0.563 4.758 1.00 0.00 N ATOM 713 CA ILE A 52 0.628 1.964 4.911 1.00 0.00 C ATOM 714 C ILE A 52 1.308 2.158 6.249 1.00 0.00 C ATOM 715 O ILE A 52 0.889 1.554 7.236 1.00 0.00 O ATOM 716 CB ILE A 52 -0.611 2.876 4.882 1.00 0.00 C ATOM 717 CG1 ILE A 52 -1.366 2.715 3.570 1.00 0.00 C ATOM 718 CG2 ILE A 52 -0.212 4.327 5.094 1.00 0.00 C ATOM 719 CD1 ILE A 52 -0.712 3.435 2.421 1.00 0.00 C ATOM 0 H ILE A 52 -0.747 0.388 4.786 1.00 0.00 H new ATOM 0 HA ILE A 52 1.291 2.225 4.086 1.00 0.00 H new ATOM 0 HB ILE A 52 -1.273 2.579 5.696 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -1.443 1.655 3.330 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -2.382 3.089 3.694 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -1.102 4.956 5.070 1.00 0.00 H new ATOM 0 HG22 ILE A 52 0.280 4.431 6.061 1.00 0.00 H new ATOM 0 HG23 ILE A 52 0.472 4.636 4.303 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -1.298 3.282 1.515 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -0.659 4.501 2.643 1.00 0.00 H new ATOM 0 HD13 ILE A 52 0.295 3.044 2.273 1.00 0.00 H new ATOM 731 N GLU A 53 2.341 2.992 6.324 1.00 0.00 N ATOM 732 CA GLU A 53 2.966 3.168 7.632 1.00 0.00 C ATOM 733 C GLU A 53 1.865 3.584 8.619 1.00 0.00 C ATOM 734 O GLU A 53 0.834 4.108 8.198 1.00 0.00 O ATOM 735 CB GLU A 53 4.159 4.143 7.577 1.00 0.00 C ATOM 736 CG GLU A 53 3.924 5.505 8.212 1.00 0.00 C ATOM 737 CD GLU A 53 4.749 5.706 9.469 1.00 0.00 C ATOM 738 OE1 GLU A 53 5.149 4.696 10.085 1.00 0.00 O ATOM 739 OE2 GLU A 53 5.001 6.875 9.832 1.00 0.00 O ATOM 0 H GLU A 53 2.743 3.525 5.552 1.00 0.00 H new ATOM 0 HA GLU A 53 3.409 2.234 7.977 1.00 0.00 H new ATOM 0 HB2 GLU A 53 5.011 3.675 8.069 1.00 0.00 H new ATOM 0 HB3 GLU A 53 4.436 4.291 6.533 1.00 0.00 H new ATOM 0 HG2 GLU A 53 4.168 6.286 7.492 1.00 0.00 H new ATOM 0 HG3 GLU A 53 2.867 5.613 8.453 1.00 0.00 H new ATOM 746 N ASP A 54 2.038 3.307 9.910 1.00 0.00 N ATOM 747 CA ASP A 54 0.994 3.616 10.906 1.00 0.00 C ATOM 748 C ASP A 54 0.798 5.111 11.177 1.00 0.00 C ATOM 749 O ASP A 54 0.230 5.487 12.203 1.00 0.00 O ATOM 750 CB ASP A 54 1.291 2.892 12.220 1.00 0.00 C ATOM 751 CG ASP A 54 1.080 1.393 12.120 1.00 0.00 C ATOM 752 OD1 ASP A 54 1.790 0.747 11.320 1.00 0.00 O ATOM 753 OD2 ASP A 54 0.210 0.865 12.843 1.00 0.00 O ATOM 0 H ASP A 54 2.878 2.875 10.295 1.00 0.00 H new ATOM 0 HA ASP A 54 0.060 3.262 10.470 1.00 0.00 H new ATOM 0 HB2 ASP A 54 2.321 3.091 12.516 1.00 0.00 H new ATOM 0 HB3 ASP A 54 0.650 3.294 13.005 1.00 0.00 H new ATOM 758 N ALA A 55 1.233 5.953 10.258 1.00 0.00 N ATOM 759 CA ALA A 55 1.070 7.389 10.390 1.00 0.00 C ATOM 760 C ALA A 55 0.139 7.912 9.316 1.00 0.00 C ATOM 761 O ALA A 55 -0.478 8.965 9.463 1.00 0.00 O ATOM 762 CB ALA A 55 2.413 8.087 10.270 1.00 0.00 C ATOM 0 H ALA A 55 1.707 5.663 9.403 1.00 0.00 H new ATOM 0 HA ALA A 55 0.643 7.595 11.372 1.00 0.00 H new ATOM 0 HB1 ALA A 55 2.274 9.163 10.371 1.00 0.00 H new ATOM 0 HB2 ALA A 55 3.079 7.732 11.056 1.00 0.00 H new ATOM 0 HB3 ALA A 55 2.851 7.868 9.296 1.00 0.00 H new ATOM 768 N TRP A 56 0.106 7.193 8.201 1.00 0.00 N ATOM 769 CA TRP A 56 -0.671 7.607 7.049 1.00 0.00 C ATOM 770 C TRP A 56 -1.940 6.830 6.836 1.00 0.00 C ATOM 771 O TRP A 56 -2.666 7.094 5.886 1.00 0.00 O ATOM 772 CB TRP A 56 0.197 7.497 5.829 1.00 0.00 C ATOM 773 CG TRP A 56 1.433 8.264 6.025 1.00 0.00 C ATOM 774 CD1 TRP A 56 2.438 7.948 6.879 1.00 0.00 C ATOM 775 CD2 TRP A 56 1.791 9.480 5.396 1.00 0.00 C ATOM 776 NE1 TRP A 56 3.400 8.912 6.850 1.00 0.00 N ATOM 777 CE2 TRP A 56 3.039 9.857 5.928 1.00 0.00 C ATOM 778 CE3 TRP A 56 1.184 10.293 4.426 1.00 0.00 C ATOM 779 CZ2 TRP A 56 3.693 11.009 5.530 1.00 0.00 C ATOM 780 CZ3 TRP A 56 1.849 11.437 4.024 1.00 0.00 C ATOM 781 CH2 TRP A 56 3.088 11.784 4.572 1.00 0.00 C ATOM 0 H TRP A 56 0.612 6.317 8.074 1.00 0.00 H new ATOM 0 HA TRP A 56 -0.987 8.633 7.236 1.00 0.00 H new ATOM 0 HB2 TRP A 56 0.435 6.451 5.634 1.00 0.00 H new ATOM 0 HB3 TRP A 56 -0.338 7.870 4.956 1.00 0.00 H new ATOM 0 HD1 TRP A 56 2.471 7.060 7.493 1.00 0.00 H new ATOM 0 HE1 TRP A 56 4.246 8.927 7.419 1.00 0.00 H new ATOM 0 HE3 TRP A 56 0.224 10.032 4.005 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 4.645 11.288 5.957 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 1.404 12.074 3.274 1.00 0.00 H new ATOM 0 HH2 TRP A 56 3.581 12.683 4.233 1.00 0.00 H new ATOM 792 N VAL A 57 -2.243 5.906 7.704 1.00 0.00 N ATOM 793 CA VAL A 57 -3.467 5.174 7.550 1.00 0.00 C ATOM 794 C VAL A 57 -4.616 6.113 7.767 1.00 0.00 C ATOM 795 O VAL A 57 -5.643 6.047 7.091 1.00 0.00 O ATOM 796 CB VAL A 57 -3.556 4.037 8.534 1.00 0.00 C ATOM 797 CG1 VAL A 57 -4.817 3.261 8.268 1.00 0.00 C ATOM 798 CG2 VAL A 57 -2.309 3.207 8.406 1.00 0.00 C ATOM 0 H VAL A 57 -1.673 5.646 8.509 1.00 0.00 H new ATOM 0 HA VAL A 57 -3.498 4.751 6.546 1.00 0.00 H new ATOM 0 HB VAL A 57 -3.613 4.389 9.564 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -4.892 2.435 8.975 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -5.679 3.917 8.384 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -4.795 2.868 7.252 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -2.351 2.376 9.110 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -2.233 2.818 7.390 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -1.437 3.824 8.624 1.00 0.00 H new ATOM 808 N GLU A 58 -4.404 7.024 8.694 1.00 0.00 N ATOM 809 CA GLU A 58 -5.392 8.033 8.987 1.00 0.00 C ATOM 810 C GLU A 58 -5.257 9.161 7.974 1.00 0.00 C ATOM 811 O GLU A 58 -6.060 10.094 7.945 1.00 0.00 O ATOM 812 CB GLU A 58 -5.229 8.558 10.415 1.00 0.00 C ATOM 813 CG GLU A 58 -4.584 7.558 11.360 1.00 0.00 C ATOM 814 CD GLU A 58 -5.397 7.336 12.620 1.00 0.00 C ATOM 815 OE1 GLU A 58 -6.609 7.643 12.606 1.00 0.00 O ATOM 816 OE2 GLU A 58 -4.825 6.853 13.620 1.00 0.00 O ATOM 0 H GLU A 58 -3.555 7.084 9.256 1.00 0.00 H new ATOM 0 HA GLU A 58 -6.389 7.598 8.914 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -4.626 9.466 10.393 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -6.208 8.835 10.805 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -4.455 6.607 10.843 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -3.589 7.911 11.632 1.00 0.00 H new ATOM 823 N ILE A 59 -4.237 9.045 7.121 1.00 0.00 N ATOM 824 CA ILE A 59 -3.994 10.033 6.072 1.00 0.00 C ATOM 825 C ILE A 59 -4.483 9.495 4.744 1.00 0.00 C ATOM 826 O ILE A 59 -5.025 10.222 3.912 1.00 0.00 O ATOM 827 CB ILE A 59 -2.495 10.364 5.914 1.00 0.00 C ATOM 828 CG1 ILE A 59 -2.044 11.319 7.003 1.00 0.00 C ATOM 829 CG2 ILE A 59 -2.205 10.971 4.544 1.00 0.00 C ATOM 830 CD1 ILE A 59 -0.627 11.088 7.444 1.00 0.00 C ATOM 0 H ILE A 59 -3.567 8.276 7.137 1.00 0.00 H new ATOM 0 HA ILE A 59 -4.528 10.938 6.362 1.00 0.00 H new ATOM 0 HB ILE A 59 -1.939 9.431 6.003 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -2.143 12.343 6.643 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -2.706 11.218 7.863 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -1.141 11.194 4.462 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -2.488 10.263 3.765 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -2.778 11.890 4.425 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -0.367 11.804 8.224 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -0.528 10.075 7.834 1.00 0.00 H new ATOM 0 HD13 ILE A 59 0.044 11.217 6.595 1.00 0.00 H new ATOM 842 N VAL A 60 -4.245 8.209 4.553 1.00 0.00 N ATOM 843 CA VAL A 60 -4.611 7.541 3.327 1.00 0.00 C ATOM 844 C VAL A 60 -5.996 6.917 3.429 1.00 0.00 C ATOM 845 O VAL A 60 -6.968 7.484 2.931 1.00 0.00 O ATOM 846 CB VAL A 60 -3.557 6.480 2.955 1.00 0.00 C ATOM 847 CG1 VAL A 60 -3.789 5.966 1.543 1.00 0.00 C ATOM 848 CG2 VAL A 60 -2.145 7.058 3.097 1.00 0.00 C ATOM 0 H VAL A 60 -3.795 7.606 5.242 1.00 0.00 H new ATOM 0 HA VAL A 60 -4.644 8.288 2.534 1.00 0.00 H new ATOM 0 HB VAL A 60 -3.655 5.639 3.642 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -3.035 5.218 1.300 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -4.780 5.517 1.478 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -3.719 6.794 0.838 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -1.412 6.297 2.831 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -2.035 7.916 2.434 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -1.983 7.373 4.128 1.00 0.00 H new ATOM 858 N GLY A 61 -6.080 5.759 4.093 1.00 0.00 N ATOM 859 CA GLY A 61 -7.355 5.070 4.264 1.00 0.00 C ATOM 860 C GLY A 61 -8.374 5.431 3.199 1.00 0.00 C ATOM 861 O GLY A 61 -9.546 5.657 3.501 1.00 0.00 O ATOM 0 H GLY A 61 -5.283 5.285 4.517 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -7.185 3.994 4.246 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -7.763 5.311 5.246 1.00 0.00 H new ATOM 865 N GLU A 62 -7.920 5.500 1.952 1.00 0.00 N ATOM 866 CA GLU A 62 -8.790 5.852 0.836 1.00 0.00 C ATOM 867 C GLU A 62 -9.681 4.688 0.434 1.00 0.00 C ATOM 868 O GLU A 62 -10.731 4.880 -0.179 1.00 0.00 O ATOM 869 CB GLU A 62 -7.952 6.299 -0.361 1.00 0.00 C ATOM 870 CG GLU A 62 -7.496 7.746 -0.278 1.00 0.00 C ATOM 871 CD GLU A 62 -7.569 8.456 -1.616 1.00 0.00 C ATOM 872 OE1 GLU A 62 -8.353 8.014 -2.481 1.00 0.00 O ATOM 873 OE2 GLU A 62 -6.841 9.454 -1.797 1.00 0.00 O ATOM 0 H GLU A 62 -6.952 5.316 1.689 1.00 0.00 H new ATOM 0 HA GLU A 62 -9.431 6.672 1.160 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -7.076 5.655 -0.442 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -8.534 6.162 -1.273 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -8.114 8.277 0.446 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -6.471 7.780 0.092 1.00 0.00 H new ATOM 880 N ALA A 63 -9.256 3.483 0.775 1.00 0.00 N ATOM 881 CA ALA A 63 -10.022 2.292 0.438 1.00 0.00 C ATOM 882 C ALA A 63 -11.474 2.438 0.842 1.00 0.00 C ATOM 883 O ALA A 63 -11.811 3.200 1.748 1.00 0.00 O ATOM 884 CB ALA A 63 -9.451 1.050 1.102 1.00 0.00 C ATOM 0 H ALA A 63 -8.390 3.302 1.282 1.00 0.00 H new ATOM 0 HA ALA A 63 -9.956 2.179 -0.644 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -10.050 0.182 0.826 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -8.423 0.901 0.772 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -9.470 1.175 2.185 1.00 0.00 H new ATOM 890 N ASN A 64 -12.322 1.676 0.178 1.00 0.00 N ATOM 891 CA ASN A 64 -13.723 1.664 0.456 1.00 0.00 C ATOM 892 C ASN A 64 -13.997 0.598 1.503 1.00 0.00 C ATOM 893 O ASN A 64 -13.094 -0.123 1.925 1.00 0.00 O ATOM 894 CB ASN A 64 -14.484 1.369 -0.843 1.00 0.00 C ATOM 895 CG ASN A 64 -14.118 0.020 -1.431 1.00 0.00 C ATOM 896 OD1 ASN A 64 -13.336 -0.732 -0.849 1.00 0.00 O ATOM 897 ND2 ASN A 64 -14.680 -0.291 -2.594 1.00 0.00 N ATOM 0 H ASN A 64 -12.043 1.046 -0.574 1.00 0.00 H new ATOM 0 HA ASN A 64 -14.055 2.629 0.840 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -15.556 1.399 -0.648 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -14.270 2.151 -1.572 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -14.469 -1.184 -3.040 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -15.323 0.363 -3.041 1.00 0.00 H new ATOM 904 N PRO A 65 -15.245 0.481 1.920 1.00 0.00 N ATOM 905 CA PRO A 65 -15.675 -0.500 2.908 1.00 0.00 C ATOM 906 C PRO A 65 -15.755 -1.906 2.314 1.00 0.00 C ATOM 907 O PRO A 65 -16.321 -2.814 2.922 1.00 0.00 O ATOM 908 CB PRO A 65 -17.074 -0.007 3.323 1.00 0.00 C ATOM 909 CG PRO A 65 -17.272 1.306 2.626 1.00 0.00 C ATOM 910 CD PRO A 65 -16.340 1.302 1.450 1.00 0.00 C ATOM 0 HA PRO A 65 -14.978 -0.577 3.743 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -17.842 -0.723 3.032 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -17.141 0.111 4.404 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -18.306 1.422 2.302 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -17.051 2.138 3.294 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -16.810 0.881 0.561 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -16.010 2.308 1.190 1.00 0.00 H new ATOM 918 N ASP A 66 -15.184 -2.080 1.119 1.00 0.00 N ATOM 919 CA ASP A 66 -15.190 -3.371 0.446 1.00 0.00 C ATOM 920 C ASP A 66 -13.944 -4.168 0.803 1.00 0.00 C ATOM 921 O ASP A 66 -14.024 -5.221 1.437 1.00 0.00 O ATOM 922 CB ASP A 66 -15.273 -3.181 -1.069 1.00 0.00 C ATOM 923 CG ASP A 66 -16.578 -2.540 -1.499 1.00 0.00 C ATOM 924 OD1 ASP A 66 -17.364 -2.145 -0.613 1.00 0.00 O ATOM 925 OD2 ASP A 66 -16.813 -2.434 -2.721 1.00 0.00 O ATOM 0 H ASP A 66 -14.712 -1.338 0.601 1.00 0.00 H new ATOM 0 HA ASP A 66 -16.066 -3.926 0.781 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -14.440 -2.561 -1.401 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -15.167 -4.148 -1.560 1.00 0.00 H new ATOM 930 N GLU A 67 -12.788 -3.655 0.390 1.00 0.00 N ATOM 931 CA GLU A 67 -11.521 -4.317 0.666 1.00 0.00 C ATOM 932 C GLU A 67 -11.460 -4.772 2.119 1.00 0.00 C ATOM 933 O GLU A 67 -10.896 -5.820 2.429 1.00 0.00 O ATOM 934 CB GLU A 67 -10.352 -3.379 0.358 1.00 0.00 C ATOM 935 CG GLU A 67 -10.524 -1.983 0.932 1.00 0.00 C ATOM 936 CD GLU A 67 -10.311 -1.938 2.433 1.00 0.00 C ATOM 937 OE1 GLU A 67 -9.194 -2.267 2.884 1.00 0.00 O ATOM 938 OE2 GLU A 67 -11.262 -1.575 3.156 1.00 0.00 O ATOM 0 H GLU A 67 -12.705 -2.785 -0.136 1.00 0.00 H new ATOM 0 HA GLU A 67 -11.445 -5.195 0.024 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -9.434 -3.814 0.753 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -10.231 -3.306 -0.723 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -9.819 -1.306 0.449 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -11.525 -1.620 0.700 1.00 0.00 H new ATOM 945 N ASN A 68 -12.052 -3.976 3.005 1.00 0.00 N ATOM 946 CA ASN A 68 -12.073 -4.300 4.427 1.00 0.00 C ATOM 947 C ASN A 68 -13.130 -5.360 4.725 1.00 0.00 C ATOM 948 O ASN A 68 -12.980 -6.158 5.650 1.00 0.00 O ATOM 949 CB ASN A 68 -12.346 -3.043 5.255 1.00 0.00 C ATOM 950 CG ASN A 68 -12.697 -3.367 6.694 1.00 0.00 C ATOM 951 OD1 ASN A 68 -12.116 -4.440 7.215 1.00 0.00 O flip ATOM 952 ND2 ASN A 68 -13.481 -2.660 7.329 1.00 0.00 N flip ATOM 0 H ASN A 68 -12.523 -3.104 2.763 1.00 0.00 H new ATOM 0 HA ASN A 68 -11.096 -4.699 4.699 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -11.467 -2.399 5.234 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -13.163 -2.482 4.801 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -13.904 -1.844 6.887 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -13.707 -2.891 8.297 1.00 0.00 H new ATOM 959 N ASP A 69 -14.198 -5.361 3.932 1.00 0.00 N ATOM 960 CA ASP A 69 -15.280 -6.323 4.108 1.00 0.00 C ATOM 961 C ASP A 69 -14.968 -7.628 3.383 1.00 0.00 C ATOM 962 O ASP A 69 -15.506 -8.683 3.721 1.00 0.00 O ATOM 963 CB ASP A 69 -16.597 -5.741 3.591 1.00 0.00 C ATOM 964 CG ASP A 69 -17.705 -6.774 3.539 1.00 0.00 C ATOM 965 OD1 ASP A 69 -18.374 -6.978 4.574 1.00 0.00 O ATOM 966 OD2 ASP A 69 -17.904 -7.378 2.463 1.00 0.00 O ATOM 0 H ASP A 69 -14.337 -4.707 3.162 1.00 0.00 H new ATOM 0 HA ASP A 69 -15.378 -6.533 5.173 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -16.903 -4.916 4.234 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -16.442 -5.328 2.594 1.00 0.00 H new ATOM 971 N LEU A 70 -14.094 -7.547 2.385 1.00 0.00 N ATOM 972 CA LEU A 70 -13.707 -8.721 1.611 1.00 0.00 C ATOM 973 C LEU A 70 -12.686 -9.562 2.371 1.00 0.00 C ATOM 974 O LEU A 70 -12.751 -10.792 2.364 1.00 0.00 O ATOM 975 CB LEU A 70 -13.133 -8.297 0.257 1.00 0.00 C ATOM 976 CG LEU A 70 -13.519 -9.195 -0.919 1.00 0.00 C ATOM 977 CD1 LEU A 70 -13.778 -8.360 -2.163 1.00 0.00 C ATOM 978 CD2 LEU A 70 -12.432 -10.225 -1.183 1.00 0.00 C ATOM 0 H LEU A 70 -13.641 -6.681 2.093 1.00 0.00 H new ATOM 0 HA LEU A 70 -14.597 -9.328 1.446 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -13.463 -7.281 0.042 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -12.046 -8.270 0.333 1.00 0.00 H new ATOM 0 HG LEU A 70 -14.437 -9.724 -0.662 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -14.051 -9.015 -2.990 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -14.592 -7.661 -1.969 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -12.877 -7.805 -2.423 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -12.724 -10.855 -2.023 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -11.498 -9.716 -1.419 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -12.294 -10.844 -0.296 1.00 0.00 H new ATOM 990 N LEU A 71 -11.744 -8.891 3.027 1.00 0.00 N ATOM 991 CA LEU A 71 -10.710 -9.577 3.794 1.00 0.00 C ATOM 992 C LEU A 71 -11.242 -10.006 5.156 1.00 0.00 C ATOM 993 O LEU A 71 -10.686 -10.897 5.800 1.00 0.00 O ATOM 994 CB LEU A 71 -9.491 -8.671 3.971 1.00 0.00 C ATOM 995 CG LEU A 71 -8.546 -8.619 2.771 1.00 0.00 C ATOM 996 CD1 LEU A 71 -7.759 -9.916 2.653 1.00 0.00 C ATOM 997 CD2 LEU A 71 -9.326 -8.350 1.493 1.00 0.00 C ATOM 0 H LEU A 71 -11.676 -7.873 3.043 1.00 0.00 H new ATOM 0 HA LEU A 71 -10.412 -10.469 3.242 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -9.837 -7.660 4.186 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -8.930 -9.008 4.842 1.00 0.00 H new ATOM 0 HG LEU A 71 -7.840 -7.803 2.923 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -7.092 -9.860 1.793 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -7.172 -10.069 3.558 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -8.449 -10.750 2.523 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -8.639 -8.316 0.648 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -10.054 -9.146 1.337 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -9.845 -7.395 1.578 1.00 0.00 H new ATOM 1009 N GLN A 72 -12.324 -9.367 5.588 1.00 0.00 N ATOM 1010 CA GLN A 72 -12.937 -9.681 6.874 1.00 0.00 C ATOM 1011 C GLN A 72 -13.798 -10.936 6.774 1.00 0.00 C ATOM 1012 O GLN A 72 -14.002 -11.641 7.762 1.00 0.00 O ATOM 1013 CB GLN A 72 -13.787 -8.504 7.354 1.00 0.00 C ATOM 1014 CG GLN A 72 -13.013 -7.496 8.186 1.00 0.00 C ATOM 1015 CD GLN A 72 -12.948 -7.877 9.652 1.00 0.00 C ATOM 1016 OE1 GLN A 72 -13.825 -7.520 10.437 1.00 0.00 O ATOM 1017 NE2 GLN A 72 -11.904 -8.607 10.027 1.00 0.00 N ATOM 0 H GLN A 72 -12.795 -8.628 5.066 1.00 0.00 H new ATOM 0 HA GLN A 72 -12.140 -9.866 7.595 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -14.213 -7.997 6.488 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -14.621 -8.885 7.943 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -12.000 -7.407 7.792 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -13.480 -6.516 8.090 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -11.200 -8.881 9.341 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -11.806 -8.894 11.001 1.00 0.00 H new ATOM 1026 N SER A 73 -14.300 -11.208 5.574 1.00 0.00 N ATOM 1027 CA SER A 73 -15.140 -12.377 5.345 1.00 0.00 C ATOM 1028 C SER A 73 -14.292 -13.612 5.056 1.00 0.00 C ATOM 1029 O SER A 73 -14.731 -14.742 5.270 1.00 0.00 O ATOM 1030 CB SER A 73 -16.100 -12.119 4.182 1.00 0.00 C ATOM 1031 OG SER A 73 -16.915 -13.250 3.932 1.00 0.00 O ATOM 0 H SER A 73 -14.140 -10.635 4.746 1.00 0.00 H new ATOM 0 HA SER A 73 -15.717 -12.561 6.251 1.00 0.00 H new ATOM 0 HB2 SER A 73 -16.728 -11.258 4.409 1.00 0.00 H new ATOM 0 HB3 SER A 73 -15.532 -11.871 3.286 1.00 0.00 H new ATOM 0 HG SER A 73 -17.520 -13.058 3.185 1.00 0.00 H new ATOM 1037 N THR A 74 -13.076 -13.389 4.568 1.00 0.00 N ATOM 1038 CA THR A 74 -12.167 -14.484 4.250 1.00 0.00 C ATOM 1039 C THR A 74 -11.790 -15.266 5.504 1.00 0.00 C ATOM 1040 O THR A 74 -11.922 -16.488 5.549 1.00 0.00 O ATOM 1041 CB THR A 74 -10.903 -13.946 3.576 1.00 0.00 C ATOM 1042 OG1 THR A 74 -10.296 -12.951 4.379 1.00 0.00 O ATOM 1043 CG2 THR A 74 -11.161 -13.343 2.212 1.00 0.00 C ATOM 0 H THR A 74 -12.697 -12.460 4.384 1.00 0.00 H new ATOM 0 HA THR A 74 -12.681 -15.158 3.565 1.00 0.00 H new ATOM 0 HB THR A 74 -10.249 -14.810 3.453 1.00 0.00 H new ATOM 0 HG1 THR A 74 -10.989 -12.449 4.857 1.00 0.00 H new ATOM 0 HG21 THR A 74 -10.223 -12.981 1.791 1.00 0.00 H new ATOM 0 HG22 THR A 74 -11.586 -14.101 1.554 1.00 0.00 H new ATOM 0 HG23 THR A 74 -11.860 -12.512 2.308 1.00 0.00 H new ATOM 1051 N GLY A 75 -11.319 -14.551 6.523 1.00 0.00 N ATOM 1052 CA GLY A 75 -10.931 -15.197 7.764 1.00 0.00 C ATOM 1053 C GLY A 75 -9.542 -14.796 8.225 1.00 0.00 C ATOM 1054 O GLY A 75 -9.016 -15.358 9.186 1.00 0.00 O ATOM 0 H GLY A 75 -11.200 -13.538 6.511 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -11.653 -14.946 8.541 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -10.967 -16.278 7.632 1.00 0.00 H new ATOM 1058 N GLU A 76 -8.946 -13.824 7.541 1.00 0.00 N ATOM 1059 CA GLU A 76 -7.610 -13.354 7.891 1.00 0.00 C ATOM 1060 C GLU A 76 -7.675 -12.002 8.594 1.00 0.00 C ATOM 1061 O GLU A 76 -8.407 -11.105 8.173 1.00 0.00 O ATOM 1062 CB GLU A 76 -6.738 -13.253 6.638 1.00 0.00 C ATOM 1063 CG GLU A 76 -6.073 -14.564 6.255 1.00 0.00 C ATOM 1064 CD GLU A 76 -4.564 -14.514 6.394 1.00 0.00 C ATOM 1065 OE1 GLU A 76 -4.077 -13.878 7.352 1.00 0.00 O ATOM 1066 OE2 GLU A 76 -3.869 -15.111 5.545 1.00 0.00 O ATOM 0 H GLU A 76 -9.366 -13.347 6.743 1.00 0.00 H new ATOM 0 HA GLU A 76 -7.165 -14.076 8.576 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -7.351 -12.909 5.805 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -5.968 -12.498 6.800 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -6.466 -15.364 6.883 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -6.331 -14.811 5.225 1.00 0.00 H new ATOM 1073 N PRO A 77 -6.907 -11.842 9.682 1.00 0.00 N ATOM 1074 CA PRO A 77 -6.876 -10.599 10.455 1.00 0.00 C ATOM 1075 C PRO A 77 -6.080 -9.499 9.759 1.00 0.00 C ATOM 1076 O PRO A 77 -5.334 -9.758 8.816 1.00 0.00 O ATOM 1077 CB PRO A 77 -6.189 -11.017 11.753 1.00 0.00 C ATOM 1078 CG PRO A 77 -5.300 -12.145 11.358 1.00 0.00 C ATOM 1079 CD PRO A 77 -6.012 -12.869 10.246 1.00 0.00 C ATOM 0 HA PRO A 77 -7.872 -10.178 10.595 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -5.618 -10.194 12.183 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -6.915 -11.328 12.504 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -4.329 -11.778 11.025 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -5.117 -12.810 12.202 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -5.312 -13.245 9.500 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -6.571 -13.727 10.619 1.00 0.00 H new ATOM 1087 N MET A 78 -6.247 -8.269 10.236 1.00 0.00 N ATOM 1088 CA MET A 78 -5.544 -7.124 9.667 1.00 0.00 C ATOM 1089 C MET A 78 -5.463 -5.986 10.679 1.00 0.00 C ATOM 1090 O MET A 78 -5.995 -6.088 11.784 1.00 0.00 O ATOM 1091 CB MET A 78 -6.245 -6.644 8.395 1.00 0.00 C ATOM 1092 CG MET A 78 -7.063 -7.723 7.704 1.00 0.00 C ATOM 1093 SD MET A 78 -7.832 -7.145 6.178 1.00 0.00 S ATOM 1094 CE MET A 78 -8.485 -5.563 6.705 1.00 0.00 C ATOM 0 H MET A 78 -6.863 -8.040 11.016 1.00 0.00 H new ATOM 0 HA MET A 78 -4.532 -7.438 9.414 1.00 0.00 H new ATOM 0 HB2 MET A 78 -6.899 -5.808 8.644 1.00 0.00 H new ATOM 0 HB3 MET A 78 -5.496 -6.266 7.699 1.00 0.00 H new ATOM 0 HG2 MET A 78 -6.420 -8.574 7.482 1.00 0.00 H new ATOM 0 HG3 MET A 78 -7.837 -8.078 8.384 1.00 0.00 H new ATOM 0 HE1 MET A 78 -9.233 -5.221 5.989 1.00 0.00 H new ATOM 0 HE2 MET A 78 -8.945 -5.668 7.688 1.00 0.00 H new ATOM 0 HE3 MET A 78 -7.675 -4.835 6.759 1.00 0.00 H new ATOM 1104 N THR A 79 -4.797 -4.902 10.296 1.00 0.00 N ATOM 1105 CA THR A 79 -4.652 -3.748 11.174 1.00 0.00 C ATOM 1106 C THR A 79 -4.750 -2.445 10.388 1.00 0.00 C ATOM 1107 O THR A 79 -4.397 -2.391 9.210 1.00 0.00 O ATOM 1108 CB THR A 79 -3.316 -3.807 11.916 1.00 0.00 C ATOM 1109 OG1 THR A 79 -2.237 -3.597 11.024 1.00 0.00 O ATOM 1110 CG2 THR A 79 -3.078 -5.125 12.621 1.00 0.00 C ATOM 0 H THR A 79 -4.350 -4.799 9.385 1.00 0.00 H new ATOM 0 HA THR A 79 -5.465 -3.776 11.899 1.00 0.00 H new ATOM 0 HB THR A 79 -3.369 -3.018 12.666 1.00 0.00 H new ATOM 0 HG1 THR A 79 -2.487 -3.908 10.129 1.00 0.00 H new ATOM 0 HG21 THR A 79 -2.113 -5.098 13.127 1.00 0.00 H new ATOM 0 HG22 THR A 79 -3.867 -5.293 13.354 1.00 0.00 H new ATOM 0 HG23 THR A 79 -3.083 -5.934 11.891 1.00 0.00 H new ATOM 1118 N ALA A 80 -5.230 -1.398 11.049 1.00 0.00 N ATOM 1119 CA ALA A 80 -5.372 -0.094 10.415 1.00 0.00 C ATOM 1120 C ALA A 80 -4.210 0.184 9.470 1.00 0.00 C ATOM 1121 O ALA A 80 -3.090 0.445 9.909 1.00 0.00 O ATOM 1122 CB ALA A 80 -5.465 0.997 11.470 1.00 0.00 C ATOM 0 H ALA A 80 -5.527 -1.427 12.024 1.00 0.00 H new ATOM 0 HA ALA A 80 -6.292 -0.100 9.830 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -5.571 1.966 10.983 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -6.331 0.815 12.107 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -4.560 0.993 12.078 1.00 0.00 H new ATOM 1128 N GLY A 81 -4.479 0.126 8.171 1.00 0.00 N ATOM 1129 CA GLY A 81 -3.440 0.376 7.191 1.00 0.00 C ATOM 1130 C GLY A 81 -3.191 -0.819 6.287 1.00 0.00 C ATOM 1131 O GLY A 81 -2.797 -0.661 5.132 1.00 0.00 O ATOM 0 H GLY A 81 -5.396 -0.089 7.780 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -3.719 1.236 6.582 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -2.515 0.637 7.706 1.00 0.00 H new ATOM 1135 N THR A 82 -3.416 -2.018 6.818 1.00 0.00 N ATOM 1136 CA THR A 82 -3.212 -3.248 6.063 1.00 0.00 C ATOM 1137 C THR A 82 -4.319 -3.461 5.034 1.00 0.00 C ATOM 1138 O THR A 82 -5.403 -3.939 5.367 1.00 0.00 O ATOM 1139 CB THR A 82 -3.155 -4.437 7.020 1.00 0.00 C ATOM 1140 OG1 THR A 82 -2.768 -4.015 8.316 1.00 0.00 O ATOM 1141 CG2 THR A 82 -2.190 -5.511 6.582 1.00 0.00 C ATOM 0 H THR A 82 -3.741 -2.163 7.774 1.00 0.00 H new ATOM 0 HA THR A 82 -2.267 -3.163 5.526 1.00 0.00 H new ATOM 0 HB THR A 82 -4.161 -4.856 7.022 1.00 0.00 H new ATOM 0 HG1 THR A 82 -3.468 -3.445 8.697 1.00 0.00 H new ATOM 0 HG21 THR A 82 -2.199 -6.326 7.306 1.00 0.00 H new ATOM 0 HG22 THR A 82 -2.488 -5.891 5.605 1.00 0.00 H new ATOM 0 HG23 THR A 82 -1.185 -5.093 6.518 1.00 0.00 H new ATOM 1149 N ARG A 83 -4.039 -3.106 3.784 1.00 0.00 N ATOM 1150 CA ARG A 83 -5.012 -3.264 2.708 1.00 0.00 C ATOM 1151 C ARG A 83 -4.371 -3.009 1.349 1.00 0.00 C ATOM 1152 O ARG A 83 -3.396 -2.266 1.242 1.00 0.00 O ATOM 1153 CB ARG A 83 -6.187 -2.306 2.910 1.00 0.00 C ATOM 1154 CG ARG A 83 -5.874 -0.874 2.512 1.00 0.00 C ATOM 1155 CD ARG A 83 -7.138 -0.039 2.392 1.00 0.00 C ATOM 1156 NE ARG A 83 -6.853 1.316 1.930 1.00 0.00 N ATOM 1157 CZ ARG A 83 -6.200 2.217 2.655 1.00 0.00 C ATOM 1158 NH1 ARG A 83 -5.775 1.910 3.872 1.00 0.00 N ATOM 1159 NH2 ARG A 83 -5.974 3.426 2.165 1.00 0.00 N ATOM 0 H ARG A 83 -3.147 -2.707 3.491 1.00 0.00 H new ATOM 0 HA ARG A 83 -5.375 -4.291 2.733 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -7.038 -2.659 2.328 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -6.487 -2.327 3.958 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -5.210 -0.427 3.252 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -5.341 -0.868 1.561 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -7.827 -0.521 1.699 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -7.637 0.005 3.360 1.00 0.00 H new ATOM 0 HE ARG A 83 -7.173 1.586 1.000 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -5.949 0.980 4.254 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -5.274 2.603 4.427 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -6.302 3.667 1.229 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -5.472 4.117 2.723 1.00 0.00 H new ATOM 1173 N LEU A 84 -4.932 -3.619 0.310 1.00 0.00 N ATOM 1174 CA LEU A 84 -4.417 -3.444 -1.043 1.00 0.00 C ATOM 1175 C LEU A 84 -4.397 -1.965 -1.413 1.00 0.00 C ATOM 1176 O LEU A 84 -5.444 -1.323 -1.494 1.00 0.00 O ATOM 1177 CB LEU A 84 -5.266 -4.229 -2.047 1.00 0.00 C ATOM 1178 CG LEU A 84 -6.720 -4.463 -1.631 1.00 0.00 C ATOM 1179 CD1 LEU A 84 -7.626 -4.474 -2.852 1.00 0.00 C ATOM 1180 CD2 LEU A 84 -6.852 -5.766 -0.857 1.00 0.00 C ATOM 0 H LEU A 84 -5.741 -4.237 0.379 1.00 0.00 H new ATOM 0 HA LEU A 84 -3.398 -3.829 -1.077 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -5.259 -3.697 -2.998 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -4.794 -5.196 -2.219 1.00 0.00 H new ATOM 0 HG LEU A 84 -7.028 -3.645 -0.980 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -8.657 -4.642 -2.539 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -7.554 -3.516 -3.367 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -7.317 -5.272 -3.527 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -7.893 -5.915 -0.570 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -6.526 -6.596 -1.484 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -6.232 -5.722 0.038 1.00 0.00 H new ATOM 1192 N SER A 85 -3.201 -1.422 -1.615 1.00 0.00 N ATOM 1193 CA SER A 85 -3.052 -0.010 -1.952 1.00 0.00 C ATOM 1194 C SER A 85 -3.077 0.227 -3.460 1.00 0.00 C ATOM 1195 O SER A 85 -3.113 1.373 -3.907 1.00 0.00 O ATOM 1196 CB SER A 85 -1.751 0.539 -1.366 1.00 0.00 C ATOM 1197 OG SER A 85 -1.639 1.933 -1.586 1.00 0.00 O ATOM 0 H SER A 85 -2.323 -1.936 -1.552 1.00 0.00 H new ATOM 0 HA SER A 85 -3.902 0.516 -1.518 1.00 0.00 H new ATOM 0 HB2 SER A 85 -1.715 0.333 -0.296 1.00 0.00 H new ATOM 0 HB3 SER A 85 -0.901 0.027 -1.818 1.00 0.00 H new ATOM 0 HG SER A 85 -2.022 2.158 -2.460 1.00 0.00 H new ATOM 1203 N CYS A 86 -3.056 -0.846 -4.246 1.00 0.00 N ATOM 1204 CA CYS A 86 -3.073 -0.708 -5.698 1.00 0.00 C ATOM 1205 C CYS A 86 -4.271 0.117 -6.151 1.00 0.00 C ATOM 1206 O CYS A 86 -4.304 0.617 -7.275 1.00 0.00 O ATOM 1207 CB CYS A 86 -3.085 -2.076 -6.385 1.00 0.00 C ATOM 1208 SG CYS A 86 -4.639 -3.010 -6.210 1.00 0.00 S ATOM 0 H CYS A 86 -3.028 -1.808 -3.908 1.00 0.00 H new ATOM 0 HA CYS A 86 -2.161 -0.187 -5.989 1.00 0.00 H new ATOM 0 HB2 CYS A 86 -2.881 -1.935 -7.446 1.00 0.00 H new ATOM 0 HB3 CYS A 86 -2.270 -2.676 -5.981 1.00 0.00 H new ATOM 1213 N GLN A 87 -5.254 0.262 -5.269 1.00 0.00 N ATOM 1214 CA GLN A 87 -6.448 1.032 -5.583 1.00 0.00 C ATOM 1215 C GLN A 87 -6.413 2.400 -4.906 1.00 0.00 C ATOM 1216 O GLN A 87 -7.355 3.184 -5.033 1.00 0.00 O ATOM 1217 CB GLN A 87 -7.704 0.272 -5.153 1.00 0.00 C ATOM 1218 CG GLN A 87 -8.998 0.956 -5.566 1.00 0.00 C ATOM 1219 CD GLN A 87 -10.024 -0.016 -6.114 1.00 0.00 C ATOM 1220 OE1 GLN A 87 -9.741 -1.200 -6.296 1.00 0.00 O ATOM 1221 NE2 GLN A 87 -11.226 0.482 -6.382 1.00 0.00 N ATOM 0 H GLN A 87 -5.246 -0.143 -4.333 1.00 0.00 H new ATOM 0 HA GLN A 87 -6.474 1.181 -6.662 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -7.678 -0.729 -5.583 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -7.694 0.154 -4.069 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -9.420 1.477 -4.706 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -8.780 1.712 -6.321 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -11.417 1.470 -6.216 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -11.958 -0.124 -6.754 1.00 0.00 H new ATOM 1230 N VAL A 88 -5.328 2.689 -4.189 1.00 0.00 N ATOM 1231 CA VAL A 88 -5.192 3.962 -3.507 1.00 0.00 C ATOM 1232 C VAL A 88 -4.213 4.858 -4.248 1.00 0.00 C ATOM 1233 O VAL A 88 -3.053 4.499 -4.409 1.00 0.00 O ATOM 1234 CB VAL A 88 -4.699 3.756 -2.066 1.00 0.00 C ATOM 1235 CG1 VAL A 88 -4.191 5.060 -1.488 1.00 0.00 C ATOM 1236 CG2 VAL A 88 -5.805 3.167 -1.208 1.00 0.00 C ATOM 0 H VAL A 88 -4.536 2.057 -4.069 1.00 0.00 H new ATOM 0 HA VAL A 88 -6.173 4.437 -3.484 1.00 0.00 H new ATOM 0 HB VAL A 88 -3.869 3.049 -2.077 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -3.846 4.896 -0.467 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -3.365 5.430 -2.095 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -4.996 5.795 -1.485 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -5.441 3.027 -0.190 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -6.658 3.846 -1.198 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -6.111 2.205 -1.619 1.00 0.00 H new ATOM 1246 N PHE A 89 -4.683 6.010 -4.717 1.00 0.00 N ATOM 1247 CA PHE A 89 -3.829 6.928 -5.464 1.00 0.00 C ATOM 1248 C PHE A 89 -3.513 8.204 -4.699 1.00 0.00 C ATOM 1249 O PHE A 89 -4.351 8.760 -3.987 1.00 0.00 O ATOM 1250 CB PHE A 89 -4.477 7.274 -6.802 1.00 0.00 C ATOM 1251 CG PHE A 89 -4.863 6.055 -7.573 1.00 0.00 C ATOM 1252 CD1 PHE A 89 -4.318 4.831 -7.229 1.00 0.00 C ATOM 1253 CD2 PHE A 89 -5.767 6.121 -8.625 1.00 0.00 C ATOM 1254 CE1 PHE A 89 -4.663 3.681 -7.917 1.00 0.00 C ATOM 1255 CE2 PHE A 89 -6.121 4.976 -9.321 1.00 0.00 C ATOM 1256 CZ PHE A 89 -5.569 3.752 -8.966 1.00 0.00 C ATOM 0 H PHE A 89 -5.644 6.329 -4.594 1.00 0.00 H new ATOM 0 HA PHE A 89 -2.882 6.413 -5.627 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -5.361 7.887 -6.628 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -3.786 7.873 -7.395 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -3.614 4.772 -6.412 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -6.197 7.072 -8.903 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -4.229 2.732 -7.639 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -6.825 5.035 -10.138 1.00 0.00 H new ATOM 0 HZ PHE A 89 -5.844 2.857 -9.505 1.00 0.00 H new ATOM 1266 N ILE A 90 -2.280 8.649 -4.875 1.00 0.00 N ATOM 1267 CA ILE A 90 -1.761 9.847 -4.255 1.00 0.00 C ATOM 1268 C ILE A 90 -2.664 11.059 -4.473 1.00 0.00 C ATOM 1269 O ILE A 90 -3.511 11.073 -5.368 1.00 0.00 O ATOM 1270 CB ILE A 90 -0.368 10.124 -4.838 1.00 0.00 C ATOM 1271 CG1 ILE A 90 0.595 9.028 -4.403 1.00 0.00 C ATOM 1272 CG2 ILE A 90 0.168 11.472 -4.414 1.00 0.00 C ATOM 1273 CD1 ILE A 90 1.424 9.418 -3.201 1.00 0.00 C ATOM 0 H ILE A 90 -1.600 8.173 -5.468 1.00 0.00 H new ATOM 0 HA ILE A 90 -1.712 9.683 -3.179 1.00 0.00 H new ATOM 0 HB ILE A 90 -0.460 10.134 -5.924 1.00 0.00 H new ATOM 0 HG12 ILE A 90 0.030 8.125 -4.171 1.00 0.00 H new ATOM 0 HG13 ILE A 90 1.259 8.784 -5.232 1.00 0.00 H new ATOM 0 HG21 ILE A 90 1.155 11.625 -4.850 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -0.506 12.256 -4.759 1.00 0.00 H new ATOM 0 HG23 ILE A 90 0.242 11.509 -3.327 1.00 0.00 H new ATOM 0 HD11 ILE A 90 2.091 8.597 -2.937 1.00 0.00 H new ATOM 0 HD12 ILE A 90 2.014 10.304 -3.438 1.00 0.00 H new ATOM 0 HD13 ILE A 90 0.766 9.635 -2.360 1.00 0.00 H new ATOM 1285 N ASP A 91 -2.465 12.071 -3.637 1.00 0.00 N ATOM 1286 CA ASP A 91 -3.215 13.300 -3.685 1.00 0.00 C ATOM 1287 C ASP A 91 -2.603 14.216 -2.630 1.00 0.00 C ATOM 1288 O ASP A 91 -1.805 13.751 -1.818 1.00 0.00 O ATOM 1289 CB ASP A 91 -4.698 13.005 -3.397 1.00 0.00 C ATOM 1290 CG ASP A 91 -5.115 13.338 -1.977 1.00 0.00 C ATOM 1291 OD1 ASP A 91 -4.775 12.559 -1.065 1.00 0.00 O ATOM 1292 OD2 ASP A 91 -5.780 14.377 -1.781 1.00 0.00 O ATOM 0 H ASP A 91 -1.763 12.051 -2.897 1.00 0.00 H new ATOM 0 HA ASP A 91 -3.170 13.777 -4.664 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -5.315 13.574 -4.092 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -4.894 11.950 -3.587 1.00 0.00 H new ATOM 1297 N PRO A 92 -2.939 15.505 -2.600 1.00 0.00 N ATOM 1298 CA PRO A 92 -2.390 16.439 -1.607 1.00 0.00 C ATOM 1299 C PRO A 92 -2.847 16.086 -0.193 1.00 0.00 C ATOM 1300 O PRO A 92 -3.234 16.951 0.593 1.00 0.00 O ATOM 1301 CB PRO A 92 -2.938 17.802 -2.054 1.00 0.00 C ATOM 1302 CG PRO A 92 -3.397 17.586 -3.460 1.00 0.00 C ATOM 1303 CD PRO A 92 -3.856 16.160 -3.517 1.00 0.00 C ATOM 0 HA PRO A 92 -1.301 16.417 -1.564 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -3.759 18.127 -1.415 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -2.170 18.573 -2.003 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -4.206 18.269 -3.718 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -2.589 17.767 -4.169 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -4.894 16.053 -3.200 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -3.786 15.750 -4.525 1.00 0.00 H new ATOM 1311 N SER A 93 -2.792 14.794 0.102 1.00 0.00 N ATOM 1312 CA SER A 93 -3.185 14.251 1.392 1.00 0.00 C ATOM 1313 C SER A 93 -2.212 13.145 1.802 1.00 0.00 C ATOM 1314 O SER A 93 -1.884 12.987 2.979 1.00 0.00 O ATOM 1315 CB SER A 93 -4.590 13.670 1.286 1.00 0.00 C ATOM 1316 OG SER A 93 -4.548 12.256 1.221 1.00 0.00 O ATOM 0 H SER A 93 -2.469 14.086 -0.557 1.00 0.00 H new ATOM 0 HA SER A 93 -3.169 15.044 2.139 1.00 0.00 H new ATOM 0 HB2 SER A 93 -5.182 13.981 2.146 1.00 0.00 H new ATOM 0 HB3 SER A 93 -5.085 14.064 0.399 1.00 0.00 H new ATOM 0 HG SER A 93 -4.628 11.969 0.287 1.00 0.00 H new ATOM 1322 N MET A 94 -1.762 12.385 0.804 1.00 0.00 N ATOM 1323 CA MET A 94 -0.835 11.287 0.998 1.00 0.00 C ATOM 1324 C MET A 94 0.517 11.657 0.417 1.00 0.00 C ATOM 1325 O MET A 94 1.168 10.847 -0.244 1.00 0.00 O ATOM 1326 CB MET A 94 -1.372 10.043 0.294 1.00 0.00 C ATOM 1327 CG MET A 94 -2.628 9.482 0.932 1.00 0.00 C ATOM 1328 SD MET A 94 -4.014 9.400 -0.218 1.00 0.00 S ATOM 1329 CE MET A 94 -3.447 8.115 -1.328 1.00 0.00 C ATOM 0 H MET A 94 -2.038 12.521 -0.169 1.00 0.00 H new ATOM 0 HA MET A 94 -0.726 11.084 2.063 1.00 0.00 H new ATOM 0 HB2 MET A 94 -1.581 10.286 -0.748 1.00 0.00 H new ATOM 0 HB3 MET A 94 -0.600 9.274 0.293 1.00 0.00 H new ATOM 0 HG2 MET A 94 -2.421 8.483 1.317 1.00 0.00 H new ATOM 0 HG3 MET A 94 -2.905 10.101 1.785 1.00 0.00 H new ATOM 0 HE1 MET A 94 -4.303 7.660 -1.826 1.00 0.00 H new ATOM 0 HE2 MET A 94 -2.780 8.547 -2.074 1.00 0.00 H new ATOM 0 HE3 MET A 94 -2.911 7.354 -0.760 1.00 0.00 H new ATOM 1339 N ASP A 95 0.926 12.892 0.656 1.00 0.00 N ATOM 1340 CA ASP A 95 2.171 13.389 0.159 1.00 0.00 C ATOM 1341 C ASP A 95 3.254 13.139 1.179 1.00 0.00 C ATOM 1342 O ASP A 95 3.086 13.437 2.359 1.00 0.00 O ATOM 1343 CB ASP A 95 2.038 14.876 -0.178 1.00 0.00 C ATOM 1344 CG ASP A 95 0.616 15.257 -0.532 1.00 0.00 C ATOM 1345 OD1 ASP A 95 0.233 15.076 -1.706 1.00 0.00 O ATOM 1346 OD2 ASP A 95 -0.114 15.731 0.364 1.00 0.00 O ATOM 0 H ASP A 95 0.394 13.569 1.202 1.00 0.00 H new ATOM 0 HA ASP A 95 2.445 12.866 -0.758 1.00 0.00 H new ATOM 0 HB2 ASP A 95 2.371 15.471 0.673 1.00 0.00 H new ATOM 0 HB3 ASP A 95 2.696 15.118 -1.013 1.00 0.00 H new ATOM 1351 N GLY A 96 4.339 12.530 0.738 1.00 0.00 N ATOM 1352 CA GLY A 96 5.387 12.188 1.662 1.00 0.00 C ATOM 1353 C GLY A 96 4.934 11.008 2.475 1.00 0.00 C ATOM 1354 O GLY A 96 5.340 10.835 3.620 1.00 0.00 O ATOM 0 H GLY A 96 4.510 12.270 -0.233 1.00 0.00 H new ATOM 0 HA2 GLY A 96 6.304 11.949 1.124 1.00 0.00 H new ATOM 0 HA3 GLY A 96 5.611 13.034 2.312 1.00 0.00 H new ATOM 1358 N LEU A 97 4.041 10.219 1.868 1.00 0.00 N ATOM 1359 CA LEU A 97 3.455 9.063 2.520 1.00 0.00 C ATOM 1360 C LEU A 97 4.436 7.920 2.663 1.00 0.00 C ATOM 1361 O LEU A 97 5.426 7.829 1.945 1.00 0.00 O ATOM 1362 CB LEU A 97 2.202 8.610 1.770 1.00 0.00 C ATOM 1363 CG LEU A 97 2.405 7.468 0.775 1.00 0.00 C ATOM 1364 CD1 LEU A 97 1.782 6.189 1.305 1.00 0.00 C ATOM 1365 CD2 LEU A 97 1.809 7.835 -0.576 1.00 0.00 C ATOM 0 H LEU A 97 3.711 10.370 0.915 1.00 0.00 H new ATOM 0 HA LEU A 97 3.177 9.367 3.529 1.00 0.00 H new ATOM 0 HB2 LEU A 97 1.454 8.303 2.501 1.00 0.00 H new ATOM 0 HB3 LEU A 97 1.791 9.466 1.234 1.00 0.00 H new ATOM 0 HG LEU A 97 3.474 7.301 0.647 1.00 0.00 H new ATOM 0 HD11 LEU A 97 1.935 5.385 0.585 1.00 0.00 H new ATOM 0 HD12 LEU A 97 2.250 5.922 2.253 1.00 0.00 H new ATOM 0 HD13 LEU A 97 0.714 6.341 1.458 1.00 0.00 H new ATOM 0 HD21 LEU A 97 1.960 7.013 -1.276 1.00 0.00 H new ATOM 0 HD22 LEU A 97 0.741 8.024 -0.463 1.00 0.00 H new ATOM 0 HD23 LEU A 97 2.298 8.731 -0.958 1.00 0.00 H new ATOM 1377 N ILE A 98 4.158 7.060 3.621 1.00 0.00 N ATOM 1378 CA ILE A 98 5.024 5.929 3.893 1.00 0.00 C ATOM 1379 C ILE A 98 4.295 4.617 3.710 1.00 0.00 C ATOM 1380 O ILE A 98 3.165 4.450 4.170 1.00 0.00 O ATOM 1381 CB ILE A 98 5.618 5.988 5.309 1.00 0.00 C ATOM 1382 CG1 ILE A 98 6.382 7.290 5.500 1.00 0.00 C ATOM 1383 CG2 ILE A 98 6.516 4.791 5.576 1.00 0.00 C ATOM 1384 CD1 ILE A 98 5.495 8.491 5.334 1.00 0.00 C ATOM 0 H ILE A 98 3.339 7.122 4.225 1.00 0.00 H new ATOM 0 HA ILE A 98 5.839 5.987 3.172 1.00 0.00 H new ATOM 0 HB ILE A 98 4.799 5.953 6.028 1.00 0.00 H new ATOM 0 HG12 ILE A 98 6.831 7.305 6.493 1.00 0.00 H new ATOM 0 HG13 ILE A 98 7.199 7.340 4.780 1.00 0.00 H new ATOM 0 HG21 ILE A 98 6.922 4.859 6.585 1.00 0.00 H new ATOM 0 HG22 ILE A 98 5.937 3.873 5.479 1.00 0.00 H new ATOM 0 HG23 ILE A 98 7.334 4.782 4.855 1.00 0.00 H new ATOM 0 HD11 ILE A 98 6.081 9.399 5.479 1.00 0.00 H new ATOM 0 HD12 ILE A 98 5.067 8.491 4.332 1.00 0.00 H new ATOM 0 HD13 ILE A 98 4.693 8.456 6.071 1.00 0.00 H new ATOM 1396 N VAL A 99 4.943 3.686 3.032 1.00 0.00 N ATOM 1397 CA VAL A 99 4.349 2.397 2.790 1.00 0.00 C ATOM 1398 C VAL A 99 5.197 1.256 3.322 1.00 0.00 C ATOM 1399 O VAL A 99 6.395 1.401 3.503 1.00 0.00 O ATOM 1400 CB VAL A 99 4.082 2.160 1.314 1.00 0.00 C ATOM 1401 CG1 VAL A 99 2.762 1.454 1.186 1.00 0.00 C ATOM 1402 CG2 VAL A 99 4.090 3.465 0.535 1.00 0.00 C ATOM 0 H VAL A 99 5.878 3.805 2.643 1.00 0.00 H new ATOM 0 HA VAL A 99 3.402 2.412 3.330 1.00 0.00 H new ATOM 0 HB VAL A 99 4.873 1.542 0.890 1.00 0.00 H new ATOM 0 HG11 VAL A 99 2.547 1.272 0.133 1.00 0.00 H new ATOM 0 HG12 VAL A 99 2.805 0.503 1.717 1.00 0.00 H new ATOM 0 HG13 VAL A 99 1.975 2.074 1.615 1.00 0.00 H new ATOM 0 HG21 VAL A 99 3.896 3.261 -0.518 1.00 0.00 H new ATOM 0 HG22 VAL A 99 3.316 4.126 0.925 1.00 0.00 H new ATOM 0 HG23 VAL A 99 5.063 3.944 0.638 1.00 0.00 H new ATOM 1412 N ARG A 100 4.565 0.113 3.564 1.00 0.00 N ATOM 1413 CA ARG A 100 5.276 -1.055 4.070 1.00 0.00 C ATOM 1414 C ARG A 100 4.725 -2.340 3.465 1.00 0.00 C ATOM 1415 O ARG A 100 3.617 -2.364 2.929 1.00 0.00 O ATOM 1416 CB ARG A 100 5.189 -1.126 5.598 1.00 0.00 C ATOM 1417 CG ARG A 100 5.126 0.231 6.281 1.00 0.00 C ATOM 1418 CD ARG A 100 4.889 0.083 7.776 1.00 0.00 C ATOM 1419 NE ARG A 100 5.857 0.841 8.566 1.00 0.00 N ATOM 1420 CZ ARG A 100 5.888 0.835 9.895 1.00 0.00 C ATOM 1421 NH1 ARG A 100 4.994 0.133 10.577 1.00 0.00 N ATOM 1422 NH2 ARG A 100 6.810 1.534 10.544 1.00 0.00 N ATOM 0 H ARG A 100 3.566 -0.030 3.419 1.00 0.00 H new ATOM 0 HA ARG A 100 6.321 -0.953 3.778 1.00 0.00 H new ATOM 0 HB2 ARG A 100 4.305 -1.701 5.874 1.00 0.00 H new ATOM 0 HB3 ARG A 100 6.054 -1.671 5.975 1.00 0.00 H new ATOM 0 HG2 ARG A 100 6.057 0.771 6.109 1.00 0.00 H new ATOM 0 HG3 ARG A 100 4.326 0.826 5.840 1.00 0.00 H new ATOM 0 HD2 ARG A 100 3.881 0.421 8.018 1.00 0.00 H new ATOM 0 HD3 ARG A 100 4.946 -0.971 8.049 1.00 0.00 H new ATOM 0 HE ARG A 100 6.547 1.406 8.070 1.00 0.00 H new ATOM 0 HH11 ARG A 100 4.281 -0.403 10.082 1.00 0.00 H new ATOM 0 HH12 ARG A 100 5.019 0.129 11.597 1.00 0.00 H new ATOM 0 HH21 ARG A 100 7.498 2.078 10.023 1.00 0.00 H new ATOM 0 HH22 ARG A 100 6.831 1.527 11.564 1.00 0.00 H new ATOM 1436 N VAL A 101 5.510 -3.409 3.562 1.00 0.00 N ATOM 1437 CA VAL A 101 5.110 -4.706 3.032 1.00 0.00 C ATOM 1438 C VAL A 101 4.945 -5.723 4.156 1.00 0.00 C ATOM 1439 O VAL A 101 5.742 -5.760 5.094 1.00 0.00 O ATOM 1440 CB VAL A 101 6.141 -5.240 2.018 1.00 0.00 C ATOM 1441 CG1 VAL A 101 5.637 -6.517 1.365 1.00 0.00 C ATOM 1442 CG2 VAL A 101 6.455 -4.186 0.969 1.00 0.00 C ATOM 0 H VAL A 101 6.429 -3.401 4.004 1.00 0.00 H new ATOM 0 HA VAL A 101 4.155 -4.565 2.525 1.00 0.00 H new ATOM 0 HB VAL A 101 7.062 -5.472 2.554 1.00 0.00 H new ATOM 0 HG11 VAL A 101 6.379 -6.878 0.653 1.00 0.00 H new ATOM 0 HG12 VAL A 101 5.469 -7.275 2.130 1.00 0.00 H new ATOM 0 HG13 VAL A 101 4.702 -6.314 0.844 1.00 0.00 H new ATOM 0 HG21 VAL A 101 7.185 -4.582 0.262 1.00 0.00 H new ATOM 0 HG22 VAL A 101 5.542 -3.919 0.437 1.00 0.00 H new ATOM 0 HG23 VAL A 101 6.864 -3.300 1.455 1.00 0.00 H new ATOM 1452 N PRO A 102 3.904 -6.563 4.076 1.00 0.00 N ATOM 1453 CA PRO A 102 3.634 -7.586 5.091 1.00 0.00 C ATOM 1454 C PRO A 102 4.720 -8.650 5.145 1.00 0.00 C ATOM 1455 O PRO A 102 5.737 -8.556 4.459 1.00 0.00 O ATOM 1456 CB PRO A 102 2.304 -8.199 4.644 1.00 0.00 C ATOM 1457 CG PRO A 102 2.228 -7.911 3.186 1.00 0.00 C ATOM 1458 CD PRO A 102 2.908 -6.585 2.992 1.00 0.00 C ATOM 0 HA PRO A 102 3.603 -7.161 6.094 1.00 0.00 H new ATOM 0 HB2 PRO A 102 2.277 -9.271 4.838 1.00 0.00 H new ATOM 0 HB3 PRO A 102 1.464 -7.757 5.180 1.00 0.00 H new ATOM 0 HG2 PRO A 102 2.722 -8.692 2.607 1.00 0.00 H new ATOM 0 HG3 PRO A 102 1.192 -7.872 2.849 1.00 0.00 H new ATOM 0 HD2 PRO A 102 3.377 -6.512 2.011 1.00 0.00 H new ATOM 0 HD3 PRO A 102 2.206 -5.755 3.072 1.00 0.00 H new ATOM 1466 N LEU A 103 4.493 -9.662 5.972 1.00 0.00 N ATOM 1467 CA LEU A 103 5.446 -10.755 6.134 1.00 0.00 C ATOM 1468 C LEU A 103 5.242 -11.825 5.065 1.00 0.00 C ATOM 1469 O LEU A 103 4.121 -12.274 4.831 1.00 0.00 O ATOM 1470 CB LEU A 103 5.302 -11.378 7.523 1.00 0.00 C ATOM 1471 CG LEU A 103 5.606 -10.438 8.690 1.00 0.00 C ATOM 1472 CD1 LEU A 103 5.203 -11.082 10.007 1.00 0.00 C ATOM 1473 CD2 LEU A 103 7.082 -10.073 8.703 1.00 0.00 C ATOM 0 H LEU A 103 3.653 -9.750 6.544 1.00 0.00 H new ATOM 0 HA LEU A 103 6.450 -10.345 6.024 1.00 0.00 H new ATOM 0 HB2 LEU A 103 4.284 -11.751 7.633 1.00 0.00 H new ATOM 0 HB3 LEU A 103 5.966 -12.240 7.588 1.00 0.00 H new ATOM 0 HG LEU A 103 5.026 -9.524 8.562 1.00 0.00 H new ATOM 0 HD11 LEU A 103 5.426 -10.401 10.828 1.00 0.00 H new ATOM 0 HD12 LEU A 103 4.135 -11.298 9.994 1.00 0.00 H new ATOM 0 HD13 LEU A 103 5.759 -12.009 10.144 1.00 0.00 H new ATOM 0 HD21 LEU A 103 7.284 -9.403 9.539 1.00 0.00 H new ATOM 0 HD22 LEU A 103 7.680 -10.978 8.811 1.00 0.00 H new ATOM 0 HD23 LEU A 103 7.342 -9.575 7.769 1.00 0.00 H new ATOM 1485 N PRO A 104 6.331 -12.249 4.405 1.00 0.00 N ATOM 1486 CA PRO A 104 6.272 -13.274 3.359 1.00 0.00 C ATOM 1487 C PRO A 104 5.782 -14.613 3.895 1.00 0.00 C ATOM 1488 O PRO A 104 5.442 -14.736 5.071 1.00 0.00 O ATOM 1489 CB PRO A 104 7.723 -13.393 2.876 1.00 0.00 C ATOM 1490 CG PRO A 104 8.401 -12.155 3.357 1.00 0.00 C ATOM 1491 CD PRO A 104 7.699 -11.766 4.624 1.00 0.00 C ATOM 0 HA PRO A 104 5.572 -13.003 2.568 1.00 0.00 H new ATOM 0 HB2 PRO A 104 8.200 -14.285 3.281 1.00 0.00 H new ATOM 0 HB3 PRO A 104 7.771 -13.471 1.790 1.00 0.00 H new ATOM 0 HG2 PRO A 104 9.461 -12.335 3.537 1.00 0.00 H new ATOM 0 HG3 PRO A 104 8.335 -11.360 2.614 1.00 0.00 H new ATOM 0 HD2 PRO A 104 8.156 -12.231 5.498 1.00 0.00 H new ATOM 0 HD3 PRO A 104 7.726 -10.688 4.786 1.00 0.00 H new ATOM 1499 N ALA A 105 5.746 -15.608 3.021 1.00 0.00 N ATOM 1500 CA ALA A 105 5.295 -16.942 3.398 1.00 0.00 C ATOM 1501 C ALA A 105 6.106 -18.017 2.681 1.00 0.00 C ATOM 1502 O ALA A 105 7.305 -17.780 2.424 1.00 0.00 O ATOM 1503 CB ALA A 105 3.814 -17.105 3.090 1.00 0.00 C ATOM 1504 OXT ALA A 105 5.535 -19.088 2.385 1.00 0.00 O ATOM 0 H ALA A 105 6.024 -15.518 2.044 1.00 0.00 H new ATOM 0 HA ALA A 105 5.448 -17.061 4.471 1.00 0.00 H new ATOM 0 HB1 ALA A 105 3.491 -18.106 3.377 1.00 0.00 H new ATOM 0 HB2 ALA A 105 3.242 -16.365 3.650 1.00 0.00 H new ATOM 0 HB3 ALA A 105 3.646 -16.961 2.023 1.00 0.00 H new TER 1510 ALA A 105 HETATM 1511 FE1 FES A 106 -4.508 -7.117 -7.544 1.00 0.00 FE HETATM 1512 FE2 FES A 106 -4.148 -5.111 -5.790 1.00 0.00 FE HETATM 1513 S1 FES A 106 -2.804 -5.729 -7.415 1.00 0.00 S HETATM 1514 S2 FES A 106 -5.908 -6.415 -5.990 1.00 0.00 S