USER MOD reduce.3.24.130724 H: found=0, std=0, add=956, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 957 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: A1014 SER OG : rot 160:sc= -0.315 USER MOD Set 1.2: A1015 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A1009 ASN : amide:sc= -2.89 K(o=-3.5,f=-5.2!) USER MOD Set 2.2: A1010 THR OG1 : rot 180:sc= -0.585 USER MOD Set 3.1: A 999 HIS : no HE2:sc= 0.212 K(o=0.62,f=-2.7) USER MOD Set 3.2: A1016 LYS NZ :NH3+ -150:sc= 0.405 (180deg=-0.247) USER MOD Set 4.1: A 975 HIS :FLIP no HE2:sc= -5.79! C(o=-9.7!,f=-7.4!) USER MOD Set 4.2: A 987 THR OG1 : rot -170:sc= -1.61! USER MOD Set 5.1: A 927 SER OG : rot 180:sc= 0 USER MOD Set 5.2: A 944 THR OG1 : rot 180:sc= 0 USER MOD Single : A 901 HIS :FLIP no HD1:sc= -0.235 F(o=-1.9,f=-0.23) USER MOD Single : A 903 GLN :FLIP amide:sc= -0.0357 F(o=-1.8!,f=-0.036) USER MOD Single : A 907 HIS : no HD1:sc= -0.166 X(o=-0.17,f=0) USER MOD Single : A 912 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 914 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 915 THR OG1 : rot -100:sc= -0.17 USER MOD Single : A 916 GLN :FLIP amide:sc= -2.87 F(o=-4.9!,f=-2.9) USER MOD Single : A 917 THR OG1 : rot 180:sc= 0 USER MOD Single : A 918 THR OG1 : rot -17:sc= 0.875 USER MOD Single : A 920 SER OG : rot 180:sc= 0 USER MOD Single : A 926 THR OG1 : rot -131:sc= -2.65! USER MOD Single : A 929 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 930 TYR OH : rot 180:sc= -1.96! USER MOD Single : A 936 TYR OH : rot 180:sc= 0 USER MOD Single : A 937 TYR OH : rot 180:sc= 0 USER MOD Single : A 942 SER OG : rot -10:sc= 0.459 USER MOD Single : A 948 ASN : amide:sc= -0.275 K(o=-0.28,f=-3.7!) USER MOD Single : A 952 SER OG : rot 180:sc= 0.217 USER MOD Single : A 953 SER OG : rot 180:sc= 0 USER MOD Single : A 955 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 959 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 961 LYS NZ :NH3+ 167:sc= -0.0585 (180deg=-0.239) USER MOD Single : A 962 SER OG : rot 180:sc= 0 USER MOD Single : A 964 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 965 THR OG1 : rot 180:sc= -0.0358 USER MOD Single : A 971 ASN :FLIP amide:sc= -0.887 F(o=-1.8!,f=-0.89) USER MOD Single : A 973 MET CE :methyl 158:sc= -0.404 (180deg=-1.37!) USER MOD Single : A 978 THR OG1 : rot -62:sc= 0.637 USER MOD Single : A 981 GLN : amide:sc= -4.76! C(o=-4.8!,f=-6!) USER MOD Single : A 984 SER OG : rot -160:sc= 0 USER MOD Single : A 988 TYR OH : rot 50:sc= -1.93! USER MOD Single : A 989 SER OG : rot -62:sc= 0.14 USER MOD Single : A 991 THR OG1 : rot 180:sc= -0.24 USER MOD Single : A 992 THR OG1 : rot 180:sc= 0 USER MOD Single : A 994 HIS : no HD1:sc= -1.9 X(o=-1.9,f=-2.1!) USER MOD Single : A1000 SER OG : rot 180:sc= 0 USER MOD Single : A1001 SER OG : rot 41:sc= 0.0878 USER MOD Single : A1007 SER OG : rot 180:sc= 0 USER MOD Single : A1012 HIS : no HE2:sc= -3.14! C(o=-3.1!,f=-7.9!) USER MOD Single : A1021 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 43 N ALA A 900 36.643 -6.272 -4.592 1.00 0.00 N ATOM 44 CA ALA A 900 35.220 -6.598 -4.647 1.00 0.00 C ATOM 45 C ALA A 900 34.353 -5.350 -4.494 1.00 0.00 C ATOM 46 O ALA A 900 34.616 -4.501 -3.643 1.00 0.00 O ATOM 47 CB ALA A 900 34.869 -7.625 -3.581 1.00 0.00 C ATOM 0 HA ALA A 900 35.014 -7.025 -5.628 1.00 0.00 H new ATOM 0 HB1 ALA A 900 33.805 -7.857 -3.635 1.00 0.00 H new ATOM 0 HB2 ALA A 900 35.448 -8.534 -3.747 1.00 0.00 H new ATOM 0 HB3 ALA A 900 35.102 -7.221 -2.596 1.00 0.00 H new ATOM 53 N HIS A 901 33.316 -5.249 -5.322 1.00 0.00 N ATOM 54 CA HIS A 901 32.406 -4.105 -5.285 1.00 0.00 C ATOM 55 C HIS A 901 30.983 -4.509 -5.662 1.00 0.00 C ATOM 56 O HIS A 901 30.737 -4.993 -6.768 1.00 0.00 O ATOM 57 CB HIS A 901 32.890 -3.011 -6.243 1.00 0.00 C ATOM 58 CG HIS A 901 33.835 -2.024 -5.629 1.00 0.00 C ATOM 59 ND1 HIS A 901 34.138 -1.769 -4.334 1.00 0.00 N flip ATOM 60 CD2 HIS A 901 34.576 -1.131 -6.375 1.00 0.00 C flip ATOM 61 CE1 HIS A 901 35.046 -0.739 -4.323 1.00 0.00 C flip ATOM 62 NE2 HIS A 901 35.296 -0.373 -5.566 1.00 0.00 N flip ATOM 0 H HIS A 901 33.084 -5.947 -6.029 1.00 0.00 H new ATOM 0 HA HIS A 901 32.399 -3.726 -4.263 1.00 0.00 H new ATOM 0 HB2 HIS A 901 33.379 -3.482 -7.095 1.00 0.00 H new ATOM 0 HB3 HIS A 901 32.024 -2.474 -6.629 1.00 0.00 H new ATOM 0 HD2 HIS A 901 34.569 -1.062 -7.453 1.00 0.00 H new ATOM 0 HE1 HIS A 901 35.485 -0.299 -3.440 1.00 0.00 H new ATOM 0 HE2 HIS A 901 35.935 0.368 -5.853 1.00 0.00 H new ATOM 71 N CYS A 902 30.047 -4.282 -4.745 1.00 0.00 N ATOM 72 CA CYS A 902 28.643 -4.596 -4.988 1.00 0.00 C ATOM 73 C CYS A 902 27.990 -3.470 -5.777 1.00 0.00 C ATOM 74 O CYS A 902 27.997 -2.319 -5.344 1.00 0.00 O ATOM 75 CB CYS A 902 27.904 -4.801 -3.663 1.00 0.00 C ATOM 76 SG CYS A 902 28.002 -3.373 -2.535 1.00 0.00 S ATOM 0 H CYS A 902 30.236 -3.881 -3.826 1.00 0.00 H new ATOM 0 HA CYS A 902 28.586 -5.519 -5.565 1.00 0.00 H new ATOM 0 HB2 CYS A 902 26.856 -5.015 -3.872 1.00 0.00 H new ATOM 0 HB3 CYS A 902 28.314 -5.677 -3.161 1.00 0.00 H new ATOM 81 N GLN A 903 27.433 -3.794 -6.936 1.00 0.00 N ATOM 82 CA GLN A 903 26.793 -2.782 -7.765 1.00 0.00 C ATOM 83 C GLN A 903 25.466 -2.326 -7.185 1.00 0.00 C ATOM 84 O GLN A 903 24.922 -2.938 -6.263 1.00 0.00 O ATOM 85 CB GLN A 903 26.582 -3.284 -9.188 1.00 0.00 C ATOM 86 CG GLN A 903 25.898 -4.636 -9.274 1.00 0.00 C ATOM 87 CD GLN A 903 25.532 -5.006 -10.698 1.00 0.00 C ATOM 88 OE1 GLN A 903 25.720 -4.065 -11.619 1.00 0.00 O flip ATOM 89 NE2 GLN A 903 25.073 -6.115 -10.966 1.00 0.00 N flip ATOM 0 H GLN A 903 27.411 -4.739 -7.320 1.00 0.00 H new ATOM 0 HA GLN A 903 27.469 -1.927 -7.785 1.00 0.00 H new ATOM 0 HB2 GLN A 903 25.987 -2.553 -9.735 1.00 0.00 H new ATOM 0 HB3 GLN A 903 27.549 -3.346 -9.687 1.00 0.00 H new ATOM 0 HG2 GLN A 903 26.556 -5.400 -8.860 1.00 0.00 H new ATOM 0 HG3 GLN A 903 24.997 -4.624 -8.661 1.00 0.00 H new ATOM 0 HE21 GLN A 903 24.946 -6.806 -10.227 1.00 0.00 H new ATOM 0 HE22 GLN A 903 24.820 -6.343 -11.927 1.00 0.00 H new ATOM 98 N ALA A 904 24.958 -1.234 -7.746 1.00 0.00 N ATOM 99 CA ALA A 904 23.693 -0.651 -7.319 1.00 0.00 C ATOM 100 C ALA A 904 22.601 -1.713 -7.192 1.00 0.00 C ATOM 101 O ALA A 904 22.425 -2.546 -8.081 1.00 0.00 O ATOM 102 CB ALA A 904 23.267 0.436 -8.293 1.00 0.00 C ATOM 0 H ALA A 904 25.411 -0.730 -8.508 1.00 0.00 H new ATOM 0 HA ALA A 904 23.839 -0.210 -6.333 1.00 0.00 H new ATOM 0 HB1 ALA A 904 22.320 0.867 -7.966 1.00 0.00 H new ATOM 0 HB2 ALA A 904 24.029 1.215 -8.324 1.00 0.00 H new ATOM 0 HB3 ALA A 904 23.146 0.006 -9.288 1.00 0.00 H new ATOM 108 N PRO A 905 21.849 -1.693 -6.077 1.00 0.00 N ATOM 109 CA PRO A 905 20.767 -2.651 -5.828 1.00 0.00 C ATOM 110 C PRO A 905 19.653 -2.551 -6.863 1.00 0.00 C ATOM 111 O PRO A 905 19.452 -1.501 -7.473 1.00 0.00 O ATOM 112 CB PRO A 905 20.239 -2.259 -4.441 1.00 0.00 C ATOM 113 CG PRO A 905 21.322 -1.438 -3.831 1.00 0.00 C ATOM 114 CD PRO A 905 21.995 -0.733 -4.970 1.00 0.00 C ATOM 0 HA PRO A 905 21.123 -3.680 -5.886 1.00 0.00 H new ATOM 0 HB2 PRO A 905 19.311 -1.693 -4.518 1.00 0.00 H new ATOM 0 HB3 PRO A 905 20.025 -3.141 -3.837 1.00 0.00 H new ATOM 0 HG2 PRO A 905 20.915 -0.724 -3.116 1.00 0.00 H new ATOM 0 HG3 PRO A 905 22.029 -2.065 -3.288 1.00 0.00 H new ATOM 0 HD2 PRO A 905 21.517 0.220 -5.195 1.00 0.00 H new ATOM 0 HD3 PRO A 905 23.042 -0.521 -4.753 1.00 0.00 H new ATOM 122 N ASP A 906 18.927 -3.649 -7.056 1.00 0.00 N ATOM 123 CA ASP A 906 17.830 -3.682 -8.016 1.00 0.00 C ATOM 124 C ASP A 906 16.743 -2.689 -7.625 1.00 0.00 C ATOM 125 O ASP A 906 16.800 -2.076 -6.560 1.00 0.00 O ATOM 126 CB ASP A 906 17.245 -5.094 -8.110 1.00 0.00 C ATOM 127 CG ASP A 906 16.035 -5.175 -9.019 1.00 0.00 C ATOM 128 OD1 ASP A 906 16.173 -4.871 -10.222 1.00 0.00 O ATOM 129 OD2 ASP A 906 14.947 -5.545 -8.527 1.00 0.00 O ATOM 0 H ASP A 906 19.079 -4.527 -6.560 1.00 0.00 H new ATOM 0 HA ASP A 906 18.223 -3.399 -8.993 1.00 0.00 H new ATOM 0 HB2 ASP A 906 18.013 -5.776 -8.475 1.00 0.00 H new ATOM 0 HB3 ASP A 906 16.966 -5.433 -7.112 1.00 0.00 H new ATOM 134 N HIS A 907 15.763 -2.530 -8.501 1.00 0.00 N ATOM 135 CA HIS A 907 14.664 -1.603 -8.257 1.00 0.00 C ATOM 136 C HIS A 907 13.651 -2.190 -7.278 1.00 0.00 C ATOM 137 O HIS A 907 13.071 -3.248 -7.526 1.00 0.00 O ATOM 138 CB HIS A 907 13.965 -1.249 -9.573 1.00 0.00 C ATOM 139 CG HIS A 907 14.854 -0.563 -10.567 1.00 0.00 C ATOM 140 ND1 HIS A 907 14.422 -0.176 -11.818 1.00 0.00 N ATOM 141 CD2 HIS A 907 16.155 -0.192 -10.491 1.00 0.00 C ATOM 142 CE1 HIS A 907 15.417 0.401 -12.468 1.00 0.00 C ATOM 143 NE2 HIS A 907 16.479 0.405 -11.684 1.00 0.00 N ATOM 0 H HIS A 907 15.704 -3.030 -9.388 1.00 0.00 H new ATOM 0 HA HIS A 907 15.084 -0.699 -7.816 1.00 0.00 H new ATOM 0 HB2 HIS A 907 13.571 -2.161 -10.021 1.00 0.00 H new ATOM 0 HB3 HIS A 907 13.112 -0.606 -9.358 1.00 0.00 H new ATOM 0 HD2 HIS A 907 16.815 -0.339 -9.648 1.00 0.00 H new ATOM 0 HE1 HIS A 907 15.370 0.801 -13.470 1.00 0.00 H new ATOM 0 HE2 HIS A 907 17.392 0.789 -11.925 1.00 0.00 H new ATOM 152 N PHE A 908 13.438 -1.487 -6.170 1.00 0.00 N ATOM 153 CA PHE A 908 12.486 -1.924 -5.151 1.00 0.00 C ATOM 154 C PHE A 908 11.084 -1.433 -5.485 1.00 0.00 C ATOM 155 O PHE A 908 10.098 -2.129 -5.241 1.00 0.00 O ATOM 156 CB PHE A 908 12.907 -1.417 -3.767 1.00 0.00 C ATOM 157 CG PHE A 908 14.134 -2.090 -3.215 1.00 0.00 C ATOM 158 CD1 PHE A 908 15.243 -2.317 -4.014 1.00 0.00 C ATOM 159 CD2 PHE A 908 14.174 -2.498 -1.891 1.00 0.00 C ATOM 160 CE1 PHE A 908 16.368 -2.936 -3.504 1.00 0.00 C ATOM 161 CE2 PHE A 908 15.296 -3.118 -1.376 1.00 0.00 C ATOM 162 CZ PHE A 908 16.395 -3.337 -2.183 1.00 0.00 C ATOM 0 H PHE A 908 13.912 -0.610 -5.953 1.00 0.00 H new ATOM 0 HA PHE A 908 12.480 -3.014 -5.135 1.00 0.00 H new ATOM 0 HB2 PHE A 908 13.089 -0.344 -3.825 1.00 0.00 H new ATOM 0 HB3 PHE A 908 12.081 -1.563 -3.071 1.00 0.00 H new ATOM 0 HD1 PHE A 908 15.228 -2.006 -5.048 1.00 0.00 H new ATOM 0 HD2 PHE A 908 13.318 -2.329 -1.254 1.00 0.00 H new ATOM 0 HE1 PHE A 908 17.226 -3.106 -4.138 1.00 0.00 H new ATOM 0 HE2 PHE A 908 15.314 -3.431 -0.343 1.00 0.00 H new ATOM 0 HZ PHE A 908 17.273 -3.821 -1.782 1.00 0.00 H new ATOM 172 N LEU A 909 11.015 -0.225 -6.048 1.00 0.00 N ATOM 173 CA LEU A 909 9.748 0.395 -6.436 1.00 0.00 C ATOM 174 C LEU A 909 8.989 0.933 -5.228 1.00 0.00 C ATOM 175 O LEU A 909 8.492 2.060 -5.254 1.00 0.00 O ATOM 176 CB LEU A 909 8.873 -0.594 -7.207 1.00 0.00 C ATOM 177 CG LEU A 909 9.496 -1.132 -8.495 1.00 0.00 C ATOM 178 CD1 LEU A 909 8.573 -2.146 -9.147 1.00 0.00 C ATOM 179 CD2 LEU A 909 9.805 0.010 -9.450 1.00 0.00 C ATOM 0 H LEU A 909 11.834 0.349 -6.247 1.00 0.00 H new ATOM 0 HA LEU A 909 9.987 1.237 -7.085 1.00 0.00 H new ATOM 0 HB2 LEU A 909 8.638 -1.435 -6.555 1.00 0.00 H new ATOM 0 HB3 LEU A 909 7.929 -0.108 -7.452 1.00 0.00 H new ATOM 0 HG LEU A 909 10.432 -1.633 -8.247 1.00 0.00 H new ATOM 0 HD11 LEU A 909 9.031 -2.519 -10.063 1.00 0.00 H new ATOM 0 HD12 LEU A 909 8.403 -2.976 -8.462 1.00 0.00 H new ATOM 0 HD13 LEU A 909 7.621 -1.671 -9.385 1.00 0.00 H new ATOM 0 HD21 LEU A 909 10.248 -0.389 -10.363 1.00 0.00 H new ATOM 0 HD22 LEU A 909 8.884 0.539 -9.695 1.00 0.00 H new ATOM 0 HD23 LEU A 909 10.505 0.700 -8.978 1.00 0.00 H new ATOM 191 N PHE A 910 8.899 0.135 -4.170 1.00 0.00 N ATOM 192 CA PHE A 910 8.195 0.561 -2.968 1.00 0.00 C ATOM 193 C PHE A 910 9.108 1.380 -2.064 1.00 0.00 C ATOM 194 O PHE A 910 8.731 1.742 -0.950 1.00 0.00 O ATOM 195 CB PHE A 910 7.630 -0.649 -2.211 1.00 0.00 C ATOM 196 CG PHE A 910 8.630 -1.733 -1.903 1.00 0.00 C ATOM 197 CD1 PHE A 910 9.845 -1.440 -1.299 1.00 0.00 C ATOM 198 CD2 PHE A 910 8.345 -3.055 -2.209 1.00 0.00 C ATOM 199 CE1 PHE A 910 10.752 -2.441 -1.011 1.00 0.00 C ATOM 200 CE2 PHE A 910 9.247 -4.060 -1.922 1.00 0.00 C ATOM 201 CZ PHE A 910 10.454 -3.753 -1.323 1.00 0.00 C ATOM 0 H PHE A 910 9.301 -0.801 -4.120 1.00 0.00 H new ATOM 0 HA PHE A 910 7.362 1.194 -3.273 1.00 0.00 H new ATOM 0 HB2 PHE A 910 7.194 -0.301 -1.274 1.00 0.00 H new ATOM 0 HB3 PHE A 910 6.820 -1.080 -2.799 1.00 0.00 H new ATOM 0 HD1 PHE A 910 10.084 -0.416 -1.051 1.00 0.00 H new ATOM 0 HD2 PHE A 910 7.404 -3.302 -2.678 1.00 0.00 H new ATOM 0 HE1 PHE A 910 11.694 -2.198 -0.542 1.00 0.00 H new ATOM 0 HE2 PHE A 910 9.010 -5.085 -2.165 1.00 0.00 H new ATOM 0 HZ PHE A 910 11.162 -4.537 -1.099 1.00 0.00 H new ATOM 211 N ALA A 911 10.310 1.673 -2.554 1.00 0.00 N ATOM 212 CA ALA A 911 11.272 2.456 -1.788 1.00 0.00 C ATOM 213 C ALA A 911 12.300 3.115 -2.702 1.00 0.00 C ATOM 214 O ALA A 911 12.946 2.444 -3.507 1.00 0.00 O ATOM 215 CB ALA A 911 11.965 1.577 -0.759 1.00 0.00 C ATOM 0 H ALA A 911 10.639 1.381 -3.474 1.00 0.00 H new ATOM 0 HA ALA A 911 10.729 3.246 -1.270 1.00 0.00 H new ATOM 0 HB1 ALA A 911 12.681 2.174 -0.194 1.00 0.00 H new ATOM 0 HB2 ALA A 911 11.223 1.159 -0.078 1.00 0.00 H new ATOM 0 HB3 ALA A 911 12.489 0.767 -1.266 1.00 0.00 H new ATOM 221 N LYS A 912 12.449 4.429 -2.571 1.00 0.00 N ATOM 222 CA LYS A 912 13.406 5.171 -3.387 1.00 0.00 C ATOM 223 C LYS A 912 14.660 5.522 -2.590 1.00 0.00 C ATOM 224 O LYS A 912 14.580 6.147 -1.531 1.00 0.00 O ATOM 225 CB LYS A 912 12.762 6.447 -3.927 1.00 0.00 C ATOM 226 CG LYS A 912 11.518 6.194 -4.764 1.00 0.00 C ATOM 227 CD LYS A 912 10.900 7.494 -5.251 1.00 0.00 C ATOM 228 CE LYS A 912 9.636 7.243 -6.056 1.00 0.00 C ATOM 229 NZ LYS A 912 8.997 8.512 -6.500 1.00 0.00 N ATOM 0 H LYS A 912 11.922 5.001 -1.911 1.00 0.00 H new ATOM 0 HA LYS A 912 13.699 4.533 -4.221 1.00 0.00 H new ATOM 0 HB2 LYS A 912 12.501 7.095 -3.090 1.00 0.00 H new ATOM 0 HB3 LYS A 912 13.493 6.985 -4.531 1.00 0.00 H new ATOM 0 HG2 LYS A 912 11.775 5.569 -5.619 1.00 0.00 H new ATOM 0 HG3 LYS A 912 10.787 5.641 -4.174 1.00 0.00 H new ATOM 0 HD2 LYS A 912 10.668 8.130 -4.397 1.00 0.00 H new ATOM 0 HD3 LYS A 912 11.622 8.034 -5.864 1.00 0.00 H new ATOM 0 HE2 LYS A 912 9.876 6.634 -6.927 1.00 0.00 H new ATOM 0 HE3 LYS A 912 8.929 6.673 -5.453 1.00 0.00 H new ATOM 0 HZ1 LYS A 912 8.138 8.296 -7.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 912 8.744 9.083 -5.668 1.00 0.00 H new ATOM 0 HZ3 LYS A 912 9.661 9.045 -7.097 1.00 0.00 H new ATOM 243 N LEU A 913 15.818 5.124 -3.113 1.00 0.00 N ATOM 244 CA LEU A 913 17.099 5.406 -2.467 1.00 0.00 C ATOM 245 C LEU A 913 17.232 6.888 -2.136 1.00 0.00 C ATOM 246 O LEU A 913 16.591 7.733 -2.761 1.00 0.00 O ATOM 247 CB LEU A 913 18.264 4.976 -3.362 1.00 0.00 C ATOM 248 CG LEU A 913 19.655 5.343 -2.831 1.00 0.00 C ATOM 249 CD1 LEU A 913 19.927 4.647 -1.508 1.00 0.00 C ATOM 250 CD2 LEU A 913 20.730 4.995 -3.843 1.00 0.00 C ATOM 0 H LEU A 913 15.896 4.603 -3.986 1.00 0.00 H new ATOM 0 HA LEU A 913 17.131 4.835 -1.539 1.00 0.00 H new ATOM 0 HB2 LEU A 913 18.217 3.896 -3.501 1.00 0.00 H new ATOM 0 HB3 LEU A 913 18.135 5.429 -4.345 1.00 0.00 H new ATOM 0 HG LEU A 913 19.678 6.420 -2.665 1.00 0.00 H new ATOM 0 HD11 LEU A 913 20.919 4.922 -1.150 1.00 0.00 H new ATOM 0 HD12 LEU A 913 19.179 4.952 -0.776 1.00 0.00 H new ATOM 0 HD13 LEU A 913 19.878 3.567 -1.648 1.00 0.00 H new ATOM 0 HD21 LEU A 913 21.707 5.265 -3.443 1.00 0.00 H new ATOM 0 HD22 LEU A 913 20.704 3.925 -4.047 1.00 0.00 H new ATOM 0 HD23 LEU A 913 20.552 5.545 -4.767 1.00 0.00 H new ATOM 262 N LYS A 914 18.080 7.199 -1.161 1.00 0.00 N ATOM 263 CA LYS A 914 18.307 8.584 -0.763 1.00 0.00 C ATOM 264 C LYS A 914 19.757 8.797 -0.345 1.00 0.00 C ATOM 265 O LYS A 914 20.499 9.510 -1.021 1.00 0.00 O ATOM 266 CB LYS A 914 17.371 8.964 0.382 1.00 0.00 C ATOM 267 CG LYS A 914 15.911 9.033 -0.030 1.00 0.00 C ATOM 268 CD LYS A 914 15.660 10.170 -1.008 1.00 0.00 C ATOM 269 CE LYS A 914 14.202 10.230 -1.431 1.00 0.00 C ATOM 270 NZ LYS A 914 13.942 11.356 -2.371 1.00 0.00 N ATOM 0 H LYS A 914 18.620 6.513 -0.633 1.00 0.00 H new ATOM 0 HA LYS A 914 18.098 9.224 -1.620 1.00 0.00 H new ATOM 0 HB2 LYS A 914 17.480 8.237 1.187 1.00 0.00 H new ATOM 0 HB3 LYS A 914 17.674 9.931 0.783 1.00 0.00 H new ATOM 0 HG2 LYS A 914 15.616 8.088 -0.486 1.00 0.00 H new ATOM 0 HG3 LYS A 914 15.288 9.169 0.854 1.00 0.00 H new ATOM 0 HD2 LYS A 914 15.946 11.116 -0.548 1.00 0.00 H new ATOM 0 HD3 LYS A 914 16.290 10.040 -1.888 1.00 0.00 H new ATOM 0 HE2 LYS A 914 13.923 9.289 -1.905 1.00 0.00 H new ATOM 0 HE3 LYS A 914 13.572 10.341 -0.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 914 12.936 11.362 -2.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 914 14.184 12.256 -1.910 1.00 0.00 H new ATOM 0 HZ3 LYS A 914 14.524 11.237 -3.225 1.00 0.00 H new ATOM 284 N THR A 915 20.149 8.157 0.758 1.00 0.00 N ATOM 285 CA THR A 915 21.513 8.242 1.287 1.00 0.00 C ATOM 286 C THR A 915 22.257 9.474 0.755 1.00 0.00 C ATOM 287 O THR A 915 21.851 10.609 1.010 1.00 0.00 O ATOM 288 CB THR A 915 22.307 6.961 0.964 1.00 0.00 C ATOM 289 OG1 THR A 915 21.537 5.807 1.322 1.00 0.00 O ATOM 290 CG2 THR A 915 23.631 6.932 1.717 1.00 0.00 C ATOM 0 H THR A 915 19.530 7.564 1.311 1.00 0.00 H new ATOM 0 HA THR A 915 21.431 8.344 2.369 1.00 0.00 H new ATOM 0 HB THR A 915 22.513 6.954 -0.106 1.00 0.00 H new ATOM 0 HG1 THR A 915 21.846 5.463 2.186 1.00 0.00 H new ATOM 0 HG21 THR A 915 24.170 6.017 1.470 1.00 0.00 H new ATOM 0 HG22 THR A 915 24.231 7.796 1.431 1.00 0.00 H new ATOM 0 HG23 THR A 915 23.440 6.962 2.790 1.00 0.00 H new ATOM 298 N GLN A 916 23.340 9.243 0.012 1.00 0.00 N ATOM 299 CA GLN A 916 24.137 10.323 -0.561 1.00 0.00 C ATOM 300 C GLN A 916 25.248 9.758 -1.439 1.00 0.00 C ATOM 301 O GLN A 916 26.387 10.226 -1.407 1.00 0.00 O ATOM 302 CB GLN A 916 24.721 11.206 0.548 1.00 0.00 C ATOM 303 CG GLN A 916 25.357 10.425 1.687 1.00 0.00 C ATOM 304 CD GLN A 916 26.633 9.711 1.284 1.00 0.00 C ATOM 305 OE1 GLN A 916 26.625 8.386 1.377 1.00 0.00 O flip ATOM 306 NE2 GLN A 916 27.615 10.343 0.894 1.00 0.00 N flip ATOM 0 H GLN A 916 23.686 8.309 -0.207 1.00 0.00 H new ATOM 0 HA GLN A 916 23.488 10.939 -1.183 1.00 0.00 H new ATOM 0 HB2 GLN A 916 25.468 11.870 0.114 1.00 0.00 H new ATOM 0 HB3 GLN A 916 23.929 11.837 0.951 1.00 0.00 H new ATOM 0 HG2 GLN A 916 25.574 11.107 2.509 1.00 0.00 H new ATOM 0 HG3 GLN A 916 24.641 9.693 2.061 1.00 0.00 H new ATOM 0 HE21 GLN A 916 27.577 11.361 0.838 1.00 0.00 H new ATOM 0 HE22 GLN A 916 28.466 9.849 0.627 1.00 0.00 H new ATOM 315 N THR A 917 24.904 8.739 -2.219 1.00 0.00 N ATOM 316 CA THR A 917 25.863 8.085 -3.103 1.00 0.00 C ATOM 317 C THR A 917 26.028 8.841 -4.417 1.00 0.00 C ATOM 318 O THR A 917 25.492 9.936 -4.589 1.00 0.00 O ATOM 319 CB THR A 917 25.427 6.643 -3.417 1.00 0.00 C ATOM 320 OG1 THR A 917 24.241 6.655 -4.223 1.00 0.00 O ATOM 321 CG2 THR A 917 25.158 5.872 -2.136 1.00 0.00 C ATOM 0 H THR A 917 23.963 8.346 -2.257 1.00 0.00 H new ATOM 0 HA THR A 917 26.817 8.077 -2.576 1.00 0.00 H new ATOM 0 HB THR A 917 26.234 6.152 -3.961 1.00 0.00 H new ATOM 0 HG1 THR A 917 23.970 5.734 -4.420 1.00 0.00 H new ATOM 0 HG21 THR A 917 24.851 4.855 -2.381 1.00 0.00 H new ATOM 0 HG22 THR A 917 26.065 5.842 -1.532 1.00 0.00 H new ATOM 0 HG23 THR A 917 24.365 6.365 -1.574 1.00 0.00 H new ATOM 329 N THR A 918 26.771 8.235 -5.341 1.00 0.00 N ATOM 330 CA THR A 918 27.023 8.824 -6.653 1.00 0.00 C ATOM 331 C THR A 918 27.669 7.800 -7.583 1.00 0.00 C ATOM 332 O THR A 918 27.310 7.694 -8.756 1.00 0.00 O ATOM 333 CB THR A 918 27.947 10.057 -6.561 1.00 0.00 C ATOM 334 OG1 THR A 918 27.343 11.073 -5.753 1.00 0.00 O ATOM 335 CG2 THR A 918 28.242 10.618 -7.945 1.00 0.00 C ATOM 0 H THR A 918 27.213 7.326 -5.202 1.00 0.00 H new ATOM 0 HA THR A 918 26.057 9.137 -7.050 1.00 0.00 H new ATOM 0 HB THR A 918 28.884 9.740 -6.103 1.00 0.00 H new ATOM 0 HG1 THR A 918 26.385 10.890 -5.659 1.00 0.00 H new ATOM 0 HG21 THR A 918 28.895 11.486 -7.854 1.00 0.00 H new ATOM 0 HG22 THR A 918 28.734 9.856 -8.549 1.00 0.00 H new ATOM 0 HG23 THR A 918 27.309 10.914 -8.424 1.00 0.00 H new ATOM 343 N ALA A 919 28.626 7.050 -7.043 1.00 0.00 N ATOM 344 CA ALA A 919 29.334 6.031 -7.810 1.00 0.00 C ATOM 345 C ALA A 919 28.430 4.844 -8.126 1.00 0.00 C ATOM 346 O ALA A 919 27.434 4.610 -7.441 1.00 0.00 O ATOM 347 CB ALA A 919 30.568 5.567 -7.052 1.00 0.00 C ATOM 0 H ALA A 919 28.930 7.130 -6.073 1.00 0.00 H new ATOM 0 HA ALA A 919 29.643 6.476 -8.756 1.00 0.00 H new ATOM 0 HB1 ALA A 919 31.088 4.806 -7.634 1.00 0.00 H new ATOM 0 HB2 ALA A 919 31.233 6.415 -6.886 1.00 0.00 H new ATOM 0 HB3 ALA A 919 30.269 5.147 -6.092 1.00 0.00 H new ATOM 353 N SER A 920 28.786 4.095 -9.166 1.00 0.00 N ATOM 354 CA SER A 920 28.008 2.930 -9.571 1.00 0.00 C ATOM 355 C SER A 920 28.419 1.705 -8.760 1.00 0.00 C ATOM 356 O SER A 920 27.571 0.947 -8.292 1.00 0.00 O ATOM 357 CB SER A 920 28.193 2.658 -11.064 1.00 0.00 C ATOM 358 OG SER A 920 29.558 2.449 -11.381 1.00 0.00 O ATOM 0 H SER A 920 29.608 4.275 -9.743 1.00 0.00 H new ATOM 0 HA SER A 920 26.955 3.137 -9.380 1.00 0.00 H new ATOM 0 HB2 SER A 920 27.612 1.782 -11.352 1.00 0.00 H new ATOM 0 HB3 SER A 920 27.808 3.499 -11.640 1.00 0.00 H new ATOM 0 HG SER A 920 29.648 2.276 -12.341 1.00 0.00 H new ATOM 364 N ASP A 921 29.726 1.525 -8.584 1.00 0.00 N ATOM 365 CA ASP A 921 30.241 0.400 -7.812 1.00 0.00 C ATOM 366 C ASP A 921 30.265 0.756 -6.330 1.00 0.00 C ATOM 367 O ASP A 921 30.845 1.768 -5.937 1.00 0.00 O ATOM 368 CB ASP A 921 31.645 0.023 -8.288 1.00 0.00 C ATOM 369 CG ASP A 921 31.680 -0.335 -9.760 1.00 0.00 C ATOM 370 OD1 ASP A 921 30.979 -1.290 -10.155 1.00 0.00 O ATOM 371 OD2 ASP A 921 32.408 0.340 -10.518 1.00 0.00 O ATOM 0 H ASP A 921 30.444 2.142 -8.964 1.00 0.00 H new ATOM 0 HA ASP A 921 29.585 -0.458 -7.961 1.00 0.00 H new ATOM 0 HB2 ASP A 921 32.324 0.856 -8.103 1.00 0.00 H new ATOM 0 HB3 ASP A 921 32.009 -0.821 -7.703 1.00 0.00 H new ATOM 376 N PHE A 922 29.618 -0.068 -5.514 1.00 0.00 N ATOM 377 CA PHE A 922 29.556 0.183 -4.079 1.00 0.00 C ATOM 378 C PHE A 922 30.499 -0.722 -3.292 1.00 0.00 C ATOM 379 O PHE A 922 30.559 -1.928 -3.522 1.00 0.00 O ATOM 380 CB PHE A 922 28.126 0.015 -3.572 1.00 0.00 C ATOM 381 CG PHE A 922 27.173 1.006 -4.168 1.00 0.00 C ATOM 382 CD1 PHE A 922 26.628 0.807 -5.430 1.00 0.00 C ATOM 383 CD2 PHE A 922 26.838 2.151 -3.470 1.00 0.00 C ATOM 384 CE1 PHE A 922 25.763 1.737 -5.975 1.00 0.00 C ATOM 385 CE2 PHE A 922 25.975 3.081 -4.010 1.00 0.00 C ATOM 386 CZ PHE A 922 25.436 2.875 -5.264 1.00 0.00 C ATOM 0 H PHE A 922 29.131 -0.911 -5.819 1.00 0.00 H new ATOM 0 HA PHE A 922 29.880 1.211 -3.919 1.00 0.00 H new ATOM 0 HB2 PHE A 922 27.782 -0.994 -3.800 1.00 0.00 H new ATOM 0 HB3 PHE A 922 28.117 0.118 -2.487 1.00 0.00 H new ATOM 0 HD1 PHE A 922 26.882 -0.081 -5.990 1.00 0.00 H new ATOM 0 HD2 PHE A 922 27.258 2.319 -2.489 1.00 0.00 H new ATOM 0 HE1 PHE A 922 25.343 1.574 -6.956 1.00 0.00 H new ATOM 0 HE2 PHE A 922 25.721 3.970 -3.452 1.00 0.00 H new ATOM 0 HZ PHE A 922 24.760 3.602 -5.688 1.00 0.00 H new ATOM 396 N PRO A 923 31.244 -0.137 -2.336 1.00 0.00 N ATOM 397 CA PRO A 923 32.185 -0.882 -1.492 1.00 0.00 C ATOM 398 C PRO A 923 31.469 -1.764 -0.473 1.00 0.00 C ATOM 399 O PRO A 923 30.441 -1.375 0.082 1.00 0.00 O ATOM 400 CB PRO A 923 32.972 0.222 -0.783 1.00 0.00 C ATOM 401 CG PRO A 923 32.037 1.381 -0.740 1.00 0.00 C ATOM 402 CD PRO A 923 31.217 1.301 -1.999 1.00 0.00 C ATOM 0 HA PRO A 923 32.808 -1.562 -2.073 1.00 0.00 H new ATOM 0 HB2 PRO A 923 33.270 -0.085 0.220 1.00 0.00 H new ATOM 0 HB3 PRO A 923 33.885 0.469 -1.325 1.00 0.00 H new ATOM 0 HG2 PRO A 923 31.400 1.336 0.144 1.00 0.00 H new ATOM 0 HG3 PRO A 923 32.585 2.322 -0.690 1.00 0.00 H new ATOM 0 HD2 PRO A 923 30.199 1.657 -1.839 1.00 0.00 H new ATOM 0 HD3 PRO A 923 31.645 1.908 -2.796 1.00 0.00 H new ATOM 410 N ILE A 924 32.012 -2.954 -0.231 1.00 0.00 N ATOM 411 CA ILE A 924 31.418 -3.886 0.722 1.00 0.00 C ATOM 412 C ILE A 924 31.344 -3.276 2.119 1.00 0.00 C ATOM 413 O ILE A 924 32.097 -2.358 2.448 1.00 0.00 O ATOM 414 CB ILE A 924 32.197 -5.211 0.792 1.00 0.00 C ATOM 415 CG1 ILE A 924 32.425 -5.771 -0.614 1.00 0.00 C ATOM 416 CG2 ILE A 924 31.431 -6.210 1.645 1.00 0.00 C ATOM 417 CD1 ILE A 924 33.199 -7.072 -0.631 1.00 0.00 C ATOM 0 H ILE A 924 32.861 -3.295 -0.681 1.00 0.00 H new ATOM 0 HA ILE A 924 30.410 -4.093 0.363 1.00 0.00 H new ATOM 0 HB ILE A 924 33.170 -5.028 1.248 1.00 0.00 H new ATOM 0 HG12 ILE A 924 31.459 -5.926 -1.095 1.00 0.00 H new ATOM 0 HG13 ILE A 924 32.962 -5.031 -1.208 1.00 0.00 H new ATOM 0 HG21 ILE A 924 31.985 -7.148 1.693 1.00 0.00 H new ATOM 0 HG22 ILE A 924 31.307 -5.810 2.651 1.00 0.00 H new ATOM 0 HG23 ILE A 924 30.451 -6.390 1.203 1.00 0.00 H new ATOM 0 HD11 ILE A 924 33.322 -7.409 -1.660 1.00 0.00 H new ATOM 0 HD12 ILE A 924 34.179 -6.918 -0.180 1.00 0.00 H new ATOM 0 HD13 ILE A 924 32.654 -7.827 -0.065 1.00 0.00 H new ATOM 429 N GLY A 925 30.422 -3.785 2.932 1.00 0.00 N ATOM 430 CA GLY A 925 30.252 -3.277 4.280 1.00 0.00 C ATOM 431 C GLY A 925 29.391 -2.032 4.305 1.00 0.00 C ATOM 432 O GLY A 925 28.612 -1.821 5.234 1.00 0.00 O ATOM 0 H GLY A 925 29.788 -4.543 2.679 1.00 0.00 H new ATOM 0 HA2 GLY A 925 29.797 -4.046 4.904 1.00 0.00 H new ATOM 0 HA3 GLY A 925 31.228 -3.053 4.710 1.00 0.00 H new ATOM 436 N THR A 926 29.535 -1.212 3.270 1.00 0.00 N ATOM 437 CA THR A 926 28.772 0.020 3.151 1.00 0.00 C ATOM 438 C THR A 926 27.270 -0.243 3.216 1.00 0.00 C ATOM 439 O THR A 926 26.738 -1.062 2.467 1.00 0.00 O ATOM 440 CB THR A 926 29.099 0.738 1.829 1.00 0.00 C ATOM 441 OG1 THR A 926 30.425 1.276 1.879 1.00 0.00 O ATOM 442 CG2 THR A 926 28.102 1.849 1.543 1.00 0.00 C ATOM 0 H THR A 926 30.179 -1.382 2.497 1.00 0.00 H new ATOM 0 HA THR A 926 29.055 0.653 3.992 1.00 0.00 H new ATOM 0 HB THR A 926 29.033 0.007 1.023 1.00 0.00 H new ATOM 0 HG1 THR A 926 30.410 2.212 1.588 1.00 0.00 H new ATOM 0 HG21 THR A 926 28.360 2.337 0.603 1.00 0.00 H new ATOM 0 HG22 THR A 926 27.099 1.428 1.470 1.00 0.00 H new ATOM 0 HG23 THR A 926 28.131 2.580 2.351 1.00 0.00 H new ATOM 450 N SER A 927 26.593 0.473 4.108 1.00 0.00 N ATOM 451 CA SER A 927 25.151 0.337 4.266 1.00 0.00 C ATOM 452 C SER A 927 24.438 1.492 3.576 1.00 0.00 C ATOM 453 O SER A 927 24.796 2.655 3.765 1.00 0.00 O ATOM 454 CB SER A 927 24.776 0.301 5.749 1.00 0.00 C ATOM 455 OG SER A 927 25.405 -0.783 6.409 1.00 0.00 O ATOM 0 H SER A 927 27.022 1.155 4.734 1.00 0.00 H new ATOM 0 HA SER A 927 24.838 -0.600 3.805 1.00 0.00 H new ATOM 0 HB2 SER A 927 25.067 1.238 6.224 1.00 0.00 H new ATOM 0 HB3 SER A 927 23.694 0.215 5.852 1.00 0.00 H new ATOM 0 HG SER A 927 25.150 -0.782 7.355 1.00 0.00 H new ATOM 461 N LEU A 928 23.430 1.170 2.776 1.00 0.00 N ATOM 462 CA LEU A 928 22.675 2.190 2.061 1.00 0.00 C ATOM 463 C LEU A 928 21.418 2.556 2.840 1.00 0.00 C ATOM 464 O LEU A 928 21.280 2.185 4.002 1.00 0.00 O ATOM 465 CB LEU A 928 22.316 1.684 0.663 1.00 0.00 C ATOM 466 CG LEU A 928 22.471 2.713 -0.457 1.00 0.00 C ATOM 467 CD1 LEU A 928 23.891 3.261 -0.483 1.00 0.00 C ATOM 468 CD2 LEU A 928 22.114 2.096 -1.801 1.00 0.00 C ATOM 0 H LEU A 928 23.117 0.214 2.606 1.00 0.00 H new ATOM 0 HA LEU A 928 23.288 3.086 1.961 1.00 0.00 H new ATOM 0 HB2 LEU A 928 22.942 0.822 0.433 1.00 0.00 H new ATOM 0 HB3 LEU A 928 21.284 1.334 0.674 1.00 0.00 H new ATOM 0 HG LEU A 928 21.786 3.538 -0.264 1.00 0.00 H new ATOM 0 HD11 LEU A 928 23.984 3.992 -1.286 1.00 0.00 H new ATOM 0 HD12 LEU A 928 24.114 3.739 0.471 1.00 0.00 H new ATOM 0 HD13 LEU A 928 24.593 2.445 -0.652 1.00 0.00 H new ATOM 0 HD21 LEU A 928 22.230 2.843 -2.586 1.00 0.00 H new ATOM 0 HD22 LEU A 928 22.775 1.253 -2.001 1.00 0.00 H new ATOM 0 HD23 LEU A 928 21.081 1.750 -1.779 1.00 0.00 H new ATOM 480 N LYS A 929 20.507 3.288 2.208 1.00 0.00 N ATOM 481 CA LYS A 929 19.270 3.690 2.872 1.00 0.00 C ATOM 482 C LYS A 929 18.177 4.014 1.859 1.00 0.00 C ATOM 483 O LYS A 929 18.395 4.776 0.914 1.00 0.00 O ATOM 484 CB LYS A 929 19.530 4.894 3.771 1.00 0.00 C ATOM 485 CG LYS A 929 18.308 5.349 4.547 1.00 0.00 C ATOM 486 CD LYS A 929 18.646 6.498 5.479 1.00 0.00 C ATOM 487 CE LYS A 929 19.630 6.073 6.558 1.00 0.00 C ATOM 488 NZ LYS A 929 19.983 7.200 7.465 1.00 0.00 N ATOM 0 H LYS A 929 20.599 3.613 1.246 1.00 0.00 H new ATOM 0 HA LYS A 929 18.924 2.855 3.481 1.00 0.00 H new ATOM 0 HB2 LYS A 929 20.325 4.647 4.474 1.00 0.00 H new ATOM 0 HB3 LYS A 929 19.891 5.722 3.160 1.00 0.00 H new ATOM 0 HG2 LYS A 929 17.527 5.659 3.852 1.00 0.00 H new ATOM 0 HG3 LYS A 929 17.909 4.515 5.124 1.00 0.00 H new ATOM 0 HD2 LYS A 929 19.069 7.321 4.904 1.00 0.00 H new ATOM 0 HD3 LYS A 929 17.733 6.870 5.944 1.00 0.00 H new ATOM 0 HE2 LYS A 929 19.199 5.259 7.141 1.00 0.00 H new ATOM 0 HE3 LYS A 929 20.536 5.686 6.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 929 20.655 6.868 8.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 929 20.417 7.967 6.913 1.00 0.00 H new ATOM 0 HZ3 LYS A 929 19.123 7.553 7.931 1.00 0.00 H new ATOM 502 N TYR A 930 16.996 3.435 2.064 1.00 0.00 N ATOM 503 CA TYR A 930 15.868 3.667 1.163 1.00 0.00 C ATOM 504 C TYR A 930 14.617 4.071 1.932 1.00 0.00 C ATOM 505 O TYR A 930 14.281 3.471 2.954 1.00 0.00 O ATOM 506 CB TYR A 930 15.561 2.412 0.338 1.00 0.00 C ATOM 507 CG TYR A 930 16.642 2.022 -0.647 1.00 0.00 C ATOM 508 CD1 TYR A 930 17.916 1.675 -0.217 1.00 0.00 C ATOM 509 CD2 TYR A 930 16.380 1.998 -2.011 1.00 0.00 C ATOM 510 CE1 TYR A 930 18.899 1.316 -1.119 1.00 0.00 C ATOM 511 CE2 TYR A 930 17.358 1.640 -2.918 1.00 0.00 C ATOM 512 CZ TYR A 930 18.614 1.301 -2.468 1.00 0.00 C ATOM 513 OH TYR A 930 19.592 0.945 -3.369 1.00 0.00 O ATOM 0 H TYR A 930 16.795 2.805 2.841 1.00 0.00 H new ATOM 0 HA TYR A 930 16.154 4.481 0.497 1.00 0.00 H new ATOM 0 HB2 TYR A 930 15.392 1.578 1.019 1.00 0.00 H new ATOM 0 HB3 TYR A 930 14.631 2.571 -0.208 1.00 0.00 H new ATOM 0 HD1 TYR A 930 18.142 1.686 0.839 1.00 0.00 H new ATOM 0 HD2 TYR A 930 15.396 2.264 -2.368 1.00 0.00 H new ATOM 0 HE1 TYR A 930 19.885 1.049 -0.769 1.00 0.00 H new ATOM 0 HE2 TYR A 930 17.138 1.626 -3.975 1.00 0.00 H new ATOM 0 HH TYR A 930 19.229 0.984 -4.278 1.00 0.00 H new ATOM 523 N GLU A 931 13.923 5.086 1.426 1.00 0.00 N ATOM 524 CA GLU A 931 12.698 5.563 2.056 1.00 0.00 C ATOM 525 C GLU A 931 11.479 4.935 1.389 1.00 0.00 C ATOM 526 O GLU A 931 11.399 4.881 0.162 1.00 0.00 O ATOM 527 CB GLU A 931 12.607 7.088 1.964 1.00 0.00 C ATOM 528 CG GLU A 931 13.861 7.813 2.430 1.00 0.00 C ATOM 529 CD GLU A 931 14.298 7.409 3.824 1.00 0.00 C ATOM 530 OE1 GLU A 931 14.712 6.245 4.000 1.00 0.00 O ATOM 531 OE2 GLU A 931 14.225 8.258 4.738 1.00 0.00 O ATOM 0 H GLU A 931 14.188 5.593 0.582 1.00 0.00 H new ATOM 0 HA GLU A 931 12.719 5.272 3.106 1.00 0.00 H new ATOM 0 HB2 GLU A 931 12.401 7.368 0.931 1.00 0.00 H new ATOM 0 HB3 GLU A 931 11.761 7.428 2.561 1.00 0.00 H new ATOM 0 HG2 GLU A 931 14.671 7.612 1.729 1.00 0.00 H new ATOM 0 HG3 GLU A 931 13.681 8.888 2.409 1.00 0.00 H new ATOM 538 N CYS A 932 10.528 4.466 2.195 1.00 0.00 N ATOM 539 CA CYS A 932 9.319 3.854 1.654 1.00 0.00 C ATOM 540 C CYS A 932 8.626 4.810 0.693 1.00 0.00 C ATOM 541 O CYS A 932 8.788 6.026 0.781 1.00 0.00 O ATOM 542 CB CYS A 932 8.347 3.454 2.768 1.00 0.00 C ATOM 543 SG CYS A 932 8.963 2.157 3.889 1.00 0.00 S ATOM 0 H CYS A 932 10.571 4.498 3.214 1.00 0.00 H new ATOM 0 HA CYS A 932 9.618 2.953 1.119 1.00 0.00 H new ATOM 0 HB2 CYS A 932 8.107 4.339 3.357 1.00 0.00 H new ATOM 0 HB3 CYS A 932 7.417 3.111 2.314 1.00 0.00 H new ATOM 548 N ARG A 933 7.852 4.248 -0.224 1.00 0.00 N ATOM 549 CA ARG A 933 7.128 5.040 -1.206 1.00 0.00 C ATOM 550 C ARG A 933 5.832 5.563 -0.589 1.00 0.00 C ATOM 551 O ARG A 933 5.226 4.886 0.237 1.00 0.00 O ATOM 552 CB ARG A 933 6.828 4.178 -2.437 1.00 0.00 C ATOM 553 CG ARG A 933 6.457 4.972 -3.675 1.00 0.00 C ATOM 554 CD ARG A 933 6.066 4.057 -4.825 1.00 0.00 C ATOM 555 NE ARG A 933 5.706 4.805 -6.026 1.00 0.00 N ATOM 556 CZ ARG A 933 5.323 4.232 -7.164 1.00 0.00 C ATOM 557 NH1 ARG A 933 5.253 2.911 -7.254 1.00 0.00 N ATOM 558 NH2 ARG A 933 5.011 4.982 -8.212 1.00 0.00 N ATOM 0 H ARG A 933 7.709 3.242 -0.308 1.00 0.00 H new ATOM 0 HA ARG A 933 7.736 5.891 -1.513 1.00 0.00 H new ATOM 0 HB2 ARG A 933 7.702 3.566 -2.660 1.00 0.00 H new ATOM 0 HB3 ARG A 933 6.013 3.495 -2.199 1.00 0.00 H new ATOM 0 HG2 ARG A 933 5.629 5.643 -3.444 1.00 0.00 H new ATOM 0 HG3 ARG A 933 7.299 5.596 -3.975 1.00 0.00 H new ATOM 0 HD2 ARG A 933 6.895 3.386 -5.051 1.00 0.00 H new ATOM 0 HD3 ARG A 933 5.225 3.434 -4.521 1.00 0.00 H new ATOM 0 HE ARG A 933 5.751 5.823 -5.991 1.00 0.00 H new ATOM 0 HH11 ARG A 933 5.493 2.332 -6.450 1.00 0.00 H new ATOM 0 HH12 ARG A 933 4.959 2.474 -8.128 1.00 0.00 H new ATOM 0 HH21 ARG A 933 5.065 5.998 -8.146 1.00 0.00 H new ATOM 0 HH22 ARG A 933 4.717 4.542 -9.084 1.00 0.00 H new ATOM 572 N PRO A 934 5.395 6.783 -0.959 1.00 0.00 N ATOM 573 CA PRO A 934 4.173 7.385 -0.417 1.00 0.00 C ATOM 574 C PRO A 934 3.041 6.376 -0.243 1.00 0.00 C ATOM 575 O PRO A 934 2.322 6.403 0.757 1.00 0.00 O ATOM 576 CB PRO A 934 3.812 8.416 -1.479 1.00 0.00 C ATOM 577 CG PRO A 934 5.127 8.867 -2.020 1.00 0.00 C ATOM 578 CD PRO A 934 6.063 7.685 -1.920 1.00 0.00 C ATOM 0 HA PRO A 934 4.325 7.798 0.580 1.00 0.00 H new ATOM 0 HB2 PRO A 934 3.189 7.980 -2.260 1.00 0.00 H new ATOM 0 HB3 PRO A 934 3.252 9.248 -1.051 1.00 0.00 H new ATOM 0 HG2 PRO A 934 5.028 9.196 -3.054 1.00 0.00 H new ATOM 0 HG3 PRO A 934 5.510 9.714 -1.451 1.00 0.00 H new ATOM 0 HD2 PRO A 934 6.204 7.204 -2.888 1.00 0.00 H new ATOM 0 HD3 PRO A 934 7.049 7.985 -1.567 1.00 0.00 H new ATOM 586 N GLU A 935 2.886 5.490 -1.220 1.00 0.00 N ATOM 587 CA GLU A 935 1.840 4.475 -1.179 1.00 0.00 C ATOM 588 C GLU A 935 2.113 3.433 -0.094 1.00 0.00 C ATOM 589 O GLU A 935 1.184 2.909 0.516 1.00 0.00 O ATOM 590 CB GLU A 935 1.720 3.784 -2.539 1.00 0.00 C ATOM 591 CG GLU A 935 1.368 4.731 -3.674 1.00 0.00 C ATOM 592 CD GLU A 935 1.267 4.025 -5.012 1.00 0.00 C ATOM 593 OE1 GLU A 935 0.422 3.115 -5.142 1.00 0.00 O ATOM 594 OE2 GLU A 935 2.035 4.383 -5.930 1.00 0.00 O ATOM 0 H GLU A 935 3.474 5.454 -2.053 1.00 0.00 H new ATOM 0 HA GLU A 935 0.902 4.976 -0.941 1.00 0.00 H new ATOM 0 HB2 GLU A 935 2.663 3.288 -2.770 1.00 0.00 H new ATOM 0 HB3 GLU A 935 0.958 3.007 -2.476 1.00 0.00 H new ATOM 0 HG2 GLU A 935 0.419 5.220 -3.453 1.00 0.00 H new ATOM 0 HG3 GLU A 935 2.124 5.514 -3.737 1.00 0.00 H new ATOM 601 N TYR A 936 3.388 3.123 0.124 1.00 0.00 N ATOM 602 CA TYR A 936 3.777 2.127 1.120 1.00 0.00 C ATOM 603 C TYR A 936 4.124 2.758 2.465 1.00 0.00 C ATOM 604 O TYR A 936 4.727 3.829 2.529 1.00 0.00 O ATOM 605 CB TYR A 936 4.971 1.314 0.618 1.00 0.00 C ATOM 606 CG TYR A 936 4.707 0.601 -0.684 1.00 0.00 C ATOM 607 CD1 TYR A 936 4.602 1.305 -1.874 1.00 0.00 C ATOM 608 CD2 TYR A 936 4.546 -0.775 -0.719 1.00 0.00 C ATOM 609 CE1 TYR A 936 4.347 0.656 -3.066 1.00 0.00 C ATOM 610 CE2 TYR A 936 4.292 -1.433 -1.904 1.00 0.00 C ATOM 611 CZ TYR A 936 4.192 -0.714 -3.076 1.00 0.00 C ATOM 612 OH TYR A 936 3.938 -1.367 -4.260 1.00 0.00 O ATOM 0 H TYR A 936 4.170 3.547 -0.375 1.00 0.00 H new ATOM 0 HA TYR A 936 2.917 1.474 1.269 1.00 0.00 H new ATOM 0 HB2 TYR A 936 5.826 1.978 0.493 1.00 0.00 H new ATOM 0 HB3 TYR A 936 5.246 0.580 1.376 1.00 0.00 H new ATOM 0 HD1 TYR A 936 4.722 2.378 -1.869 1.00 0.00 H new ATOM 0 HD2 TYR A 936 4.621 -1.342 0.197 1.00 0.00 H new ATOM 0 HE1 TYR A 936 4.269 1.218 -3.985 1.00 0.00 H new ATOM 0 HE2 TYR A 936 4.172 -2.506 -1.914 1.00 0.00 H new ATOM 0 HH TYR A 936 3.857 -2.329 -4.092 1.00 0.00 H new ATOM 622 N TYR A 937 3.745 2.069 3.539 1.00 0.00 N ATOM 623 CA TYR A 937 4.021 2.536 4.894 1.00 0.00 C ATOM 624 C TYR A 937 5.235 1.814 5.476 1.00 0.00 C ATOM 625 O TYR A 937 5.429 0.621 5.240 1.00 0.00 O ATOM 626 CB TYR A 937 2.790 2.340 5.794 1.00 0.00 C ATOM 627 CG TYR A 937 2.309 0.905 5.915 1.00 0.00 C ATOM 628 CD1 TYR A 937 3.055 -0.053 6.594 1.00 0.00 C ATOM 629 CD2 TYR A 937 1.103 0.509 5.350 1.00 0.00 C ATOM 630 CE1 TYR A 937 2.615 -1.358 6.705 1.00 0.00 C ATOM 631 CE2 TYR A 937 0.656 -0.794 5.457 1.00 0.00 C ATOM 632 CZ TYR A 937 1.414 -1.723 6.134 1.00 0.00 C ATOM 633 OH TYR A 937 0.971 -3.022 6.243 1.00 0.00 O ATOM 0 H TYR A 937 3.244 1.182 3.496 1.00 0.00 H new ATOM 0 HA TYR A 937 4.247 3.601 4.850 1.00 0.00 H new ATOM 0 HB2 TYR A 937 3.023 2.715 6.791 1.00 0.00 H new ATOM 0 HB3 TYR A 937 1.974 2.950 5.407 1.00 0.00 H new ATOM 0 HD1 TYR A 937 3.996 0.229 7.043 1.00 0.00 H new ATOM 0 HD2 TYR A 937 0.504 1.233 4.817 1.00 0.00 H new ATOM 0 HE1 TYR A 937 3.208 -2.088 7.236 1.00 0.00 H new ATOM 0 HE2 TYR A 937 -0.284 -1.083 5.011 1.00 0.00 H new ATOM 0 HH TYR A 937 0.108 -3.113 5.787 1.00 0.00 H new ATOM 643 N GLY A 938 6.058 2.539 6.230 1.00 0.00 N ATOM 644 CA GLY A 938 7.236 1.931 6.823 1.00 0.00 C ATOM 645 C GLY A 938 8.351 2.919 7.081 1.00 0.00 C ATOM 646 O GLY A 938 8.527 3.882 6.336 1.00 0.00 O ATOM 0 H GLY A 938 5.931 3.529 6.439 1.00 0.00 H new ATOM 0 HA2 GLY A 938 6.957 1.455 7.763 1.00 0.00 H new ATOM 0 HA3 GLY A 938 7.602 1.144 6.163 1.00 0.00 H new ATOM 650 N ARG A 939 9.111 2.666 8.136 1.00 0.00 N ATOM 651 CA ARG A 939 10.227 3.519 8.498 1.00 0.00 C ATOM 652 C ARG A 939 11.386 3.320 7.523 1.00 0.00 C ATOM 653 O ARG A 939 11.467 2.291 6.850 1.00 0.00 O ATOM 654 CB ARG A 939 10.686 3.216 9.922 1.00 0.00 C ATOM 655 CG ARG A 939 11.402 1.886 10.063 1.00 0.00 C ATOM 656 CD ARG A 939 10.455 0.717 9.883 1.00 0.00 C ATOM 657 NE ARG A 939 9.456 0.649 10.947 1.00 0.00 N ATOM 658 CZ ARG A 939 9.751 0.458 12.230 1.00 0.00 C ATOM 659 NH1 ARG A 939 11.013 0.301 12.610 1.00 0.00 N ATOM 660 NH2 ARG A 939 8.783 0.420 13.136 1.00 0.00 N ATOM 0 H ARG A 939 8.971 1.870 8.759 1.00 0.00 H new ATOM 0 HA ARG A 939 9.899 4.557 8.447 1.00 0.00 H new ATOM 0 HB2 ARG A 939 11.350 4.013 10.257 1.00 0.00 H new ATOM 0 HB3 ARG A 939 9.819 3.224 10.583 1.00 0.00 H new ATOM 0 HG2 ARG A 939 12.202 1.823 9.325 1.00 0.00 H new ATOM 0 HG3 ARG A 939 11.870 1.827 11.046 1.00 0.00 H new ATOM 0 HD2 ARG A 939 9.952 0.803 8.920 1.00 0.00 H new ATOM 0 HD3 ARG A 939 11.026 -0.211 9.863 1.00 0.00 H new ATOM 0 HE ARG A 939 8.474 0.754 10.691 1.00 0.00 H new ATOM 0 HH11 ARG A 939 11.761 0.327 11.917 1.00 0.00 H new ATOM 0 HH12 ARG A 939 11.235 0.155 13.595 1.00 0.00 H new ATOM 0 HH21 ARG A 939 7.811 0.537 12.849 1.00 0.00 H new ATOM 0 HH22 ARG A 939 9.010 0.273 14.119 1.00 0.00 H new ATOM 674 N PRO A 940 12.299 4.299 7.433 1.00 0.00 N ATOM 675 CA PRO A 940 13.456 4.220 6.534 1.00 0.00 C ATOM 676 C PRO A 940 14.350 3.026 6.849 1.00 0.00 C ATOM 677 O PRO A 940 14.948 2.956 7.922 1.00 0.00 O ATOM 678 CB PRO A 940 14.210 5.528 6.803 1.00 0.00 C ATOM 679 CG PRO A 940 13.201 6.439 7.414 1.00 0.00 C ATOM 680 CD PRO A 940 12.281 5.552 8.200 1.00 0.00 C ATOM 0 HA PRO A 940 13.153 4.091 5.495 1.00 0.00 H new ATOM 0 HB2 PRO A 940 15.053 5.366 7.475 1.00 0.00 H new ATOM 0 HB3 PRO A 940 14.613 5.948 5.881 1.00 0.00 H new ATOM 0 HG2 PRO A 940 13.679 7.177 8.058 1.00 0.00 H new ATOM 0 HG3 PRO A 940 12.655 6.990 6.648 1.00 0.00 H new ATOM 0 HD2 PRO A 940 12.635 5.406 9.221 1.00 0.00 H new ATOM 0 HD3 PRO A 940 11.277 5.970 8.267 1.00 0.00 H new ATOM 688 N PHE A 941 14.442 2.087 5.909 1.00 0.00 N ATOM 689 CA PHE A 941 15.271 0.904 6.106 1.00 0.00 C ATOM 690 C PHE A 941 16.649 1.096 5.483 1.00 0.00 C ATOM 691 O PHE A 941 17.019 2.209 5.098 1.00 0.00 O ATOM 692 CB PHE A 941 14.583 -0.339 5.532 1.00 0.00 C ATOM 693 CG PHE A 941 14.437 -0.340 4.036 1.00 0.00 C ATOM 694 CD1 PHE A 941 15.444 -0.846 3.227 1.00 0.00 C ATOM 695 CD2 PHE A 941 13.283 0.139 3.440 1.00 0.00 C ATOM 696 CE1 PHE A 941 15.303 -0.868 1.854 1.00 0.00 C ATOM 697 CE2 PHE A 941 13.135 0.117 2.067 1.00 0.00 C ATOM 698 CZ PHE A 941 14.146 -0.387 1.273 1.00 0.00 C ATOM 0 H PHE A 941 13.957 2.123 5.012 1.00 0.00 H new ATOM 0 HA PHE A 941 15.404 0.757 7.178 1.00 0.00 H new ATOM 0 HB2 PHE A 941 15.150 -1.221 5.829 1.00 0.00 H new ATOM 0 HB3 PHE A 941 13.594 -0.430 5.980 1.00 0.00 H new ATOM 0 HD1 PHE A 941 16.349 -1.227 3.677 1.00 0.00 H new ATOM 0 HD2 PHE A 941 12.489 0.535 4.056 1.00 0.00 H new ATOM 0 HE1 PHE A 941 16.096 -1.261 1.235 1.00 0.00 H new ATOM 0 HE2 PHE A 941 12.229 0.494 1.615 1.00 0.00 H new ATOM 0 HZ PHE A 941 14.032 -0.405 0.199 1.00 0.00 H new ATOM 708 N SER A 942 17.406 0.006 5.384 1.00 0.00 N ATOM 709 CA SER A 942 18.751 0.056 4.821 1.00 0.00 C ATOM 710 C SER A 942 19.280 -1.343 4.523 1.00 0.00 C ATOM 711 O SER A 942 19.159 -2.256 5.340 1.00 0.00 O ATOM 712 CB SER A 942 19.700 0.758 5.796 1.00 0.00 C ATOM 713 OG SER A 942 19.308 2.100 6.026 1.00 0.00 O ATOM 0 H SER A 942 17.110 -0.922 5.687 1.00 0.00 H new ATOM 0 HA SER A 942 18.700 0.613 3.886 1.00 0.00 H new ATOM 0 HB2 SER A 942 19.718 0.216 6.742 1.00 0.00 H new ATOM 0 HB3 SER A 942 20.714 0.737 5.397 1.00 0.00 H new ATOM 0 HG SER A 942 18.600 2.347 5.395 1.00 0.00 H new ATOM 719 N ILE A 943 19.869 -1.497 3.339 1.00 0.00 N ATOM 720 CA ILE A 943 20.426 -2.776 2.910 1.00 0.00 C ATOM 721 C ILE A 943 21.945 -2.796 3.045 1.00 0.00 C ATOM 722 O ILE A 943 22.640 -1.926 2.519 1.00 0.00 O ATOM 723 CB ILE A 943 20.040 -3.084 1.453 1.00 0.00 C ATOM 724 CG1 ILE A 943 20.162 -1.822 0.595 1.00 0.00 C ATOM 725 CG2 ILE A 943 18.631 -3.650 1.389 1.00 0.00 C ATOM 726 CD1 ILE A 943 19.834 -2.044 -0.864 1.00 0.00 C ATOM 0 H ILE A 943 19.973 -0.746 2.656 1.00 0.00 H new ATOM 0 HA ILE A 943 20.006 -3.542 3.562 1.00 0.00 H new ATOM 0 HB ILE A 943 20.725 -3.833 1.057 1.00 0.00 H new ATOM 0 HG12 ILE A 943 19.498 -1.056 0.995 1.00 0.00 H new ATOM 0 HG13 ILE A 943 21.178 -1.436 0.675 1.00 0.00 H new ATOM 0 HG21 ILE A 943 18.371 -3.863 0.352 1.00 0.00 H new ATOM 0 HG22 ILE A 943 18.582 -4.570 1.972 1.00 0.00 H new ATOM 0 HG23 ILE A 943 17.928 -2.924 1.797 1.00 0.00 H new ATOM 0 HD11 ILE A 943 19.943 -1.106 -1.408 1.00 0.00 H new ATOM 0 HD12 ILE A 943 20.515 -2.786 -1.281 1.00 0.00 H new ATOM 0 HD13 ILE A 943 18.808 -2.400 -0.956 1.00 0.00 H new ATOM 738 N THR A 944 22.451 -3.797 3.757 1.00 0.00 N ATOM 739 CA THR A 944 23.884 -3.946 3.973 1.00 0.00 C ATOM 740 C THR A 944 24.578 -4.638 2.800 1.00 0.00 C ATOM 741 O THR A 944 24.258 -5.780 2.470 1.00 0.00 O ATOM 742 CB THR A 944 24.158 -4.753 5.258 1.00 0.00 C ATOM 743 OG1 THR A 944 23.825 -3.969 6.411 1.00 0.00 O ATOM 744 CG2 THR A 944 25.612 -5.197 5.337 1.00 0.00 C ATOM 0 H THR A 944 21.884 -4.522 4.197 1.00 0.00 H new ATOM 0 HA THR A 944 24.290 -2.939 4.068 1.00 0.00 H new ATOM 0 HB THR A 944 23.533 -5.646 5.232 1.00 0.00 H new ATOM 0 HG1 THR A 944 24.000 -4.490 7.222 1.00 0.00 H new ATOM 0 HG21 THR A 944 25.770 -5.763 6.255 1.00 0.00 H new ATOM 0 HG22 THR A 944 25.848 -5.825 4.478 1.00 0.00 H new ATOM 0 HG23 THR A 944 26.261 -4.321 5.335 1.00 0.00 H new ATOM 752 N CYS A 945 25.564 -3.967 2.204 1.00 0.00 N ATOM 753 CA CYS A 945 26.326 -4.565 1.113 1.00 0.00 C ATOM 754 C CYS A 945 27.216 -5.653 1.691 1.00 0.00 C ATOM 755 O CYS A 945 28.222 -5.366 2.337 1.00 0.00 O ATOM 756 CB CYS A 945 27.165 -3.513 0.387 1.00 0.00 C ATOM 757 SG CYS A 945 28.424 -4.206 -0.733 1.00 0.00 S ATOM 0 H CYS A 945 25.850 -3.021 2.456 1.00 0.00 H new ATOM 0 HA CYS A 945 25.641 -4.993 0.381 1.00 0.00 H new ATOM 0 HB2 CYS A 945 26.500 -2.867 -0.187 1.00 0.00 H new ATOM 0 HB3 CYS A 945 27.660 -2.885 1.127 1.00 0.00 H new ATOM 762 N LEU A 946 26.812 -6.898 1.505 1.00 0.00 N ATOM 763 CA LEU A 946 27.547 -8.026 2.063 1.00 0.00 C ATOM 764 C LEU A 946 28.736 -8.464 1.214 1.00 0.00 C ATOM 765 O LEU A 946 28.847 -8.128 0.035 1.00 0.00 O ATOM 766 CB LEU A 946 26.590 -9.183 2.319 1.00 0.00 C ATOM 767 CG LEU A 946 25.469 -8.840 3.301 1.00 0.00 C ATOM 768 CD1 LEU A 946 24.482 -9.983 3.430 1.00 0.00 C ATOM 769 CD2 LEU A 946 26.049 -8.480 4.658 1.00 0.00 C ATOM 0 H LEU A 946 25.981 -7.156 0.973 1.00 0.00 H new ATOM 0 HA LEU A 946 27.979 -7.692 3.007 1.00 0.00 H new ATOM 0 HB2 LEU A 946 26.150 -9.497 1.372 1.00 0.00 H new ATOM 0 HB3 LEU A 946 27.154 -10.032 2.705 1.00 0.00 H new ATOM 0 HG LEU A 946 24.930 -7.977 2.910 1.00 0.00 H new ATOM 0 HD11 LEU A 946 23.697 -9.708 4.135 1.00 0.00 H new ATOM 0 HD12 LEU A 946 24.038 -10.192 2.457 1.00 0.00 H new ATOM 0 HD13 LEU A 946 25.000 -10.872 3.791 1.00 0.00 H new ATOM 0 HD21 LEU A 946 25.240 -8.238 5.347 1.00 0.00 H new ATOM 0 HD22 LEU A 946 26.616 -9.325 5.047 1.00 0.00 H new ATOM 0 HD23 LEU A 946 26.708 -7.618 4.555 1.00 0.00 H new ATOM 781 N ASP A 947 29.624 -9.214 1.862 1.00 0.00 N ATOM 782 CA ASP A 947 30.843 -9.734 1.249 1.00 0.00 C ATOM 783 C ASP A 947 30.583 -10.332 -0.129 1.00 0.00 C ATOM 784 O ASP A 947 31.431 -10.256 -1.018 1.00 0.00 O ATOM 785 CB ASP A 947 31.455 -10.797 2.164 1.00 0.00 C ATOM 786 CG ASP A 947 32.781 -11.330 1.654 1.00 0.00 C ATOM 787 OD1 ASP A 947 33.277 -10.816 0.629 1.00 0.00 O ATOM 788 OD2 ASP A 947 33.328 -12.259 2.285 1.00 0.00 O ATOM 0 H ASP A 947 29.515 -9.481 2.840 1.00 0.00 H new ATOM 0 HA ASP A 947 31.533 -8.901 1.119 1.00 0.00 H new ATOM 0 HB2 ASP A 947 31.599 -10.373 3.158 1.00 0.00 H new ATOM 0 HB3 ASP A 947 30.754 -11.625 2.269 1.00 0.00 H new ATOM 793 N ASN A 948 29.416 -10.939 -0.300 1.00 0.00 N ATOM 794 CA ASN A 948 29.068 -11.560 -1.570 1.00 0.00 C ATOM 795 C ASN A 948 28.563 -10.516 -2.557 1.00 0.00 C ATOM 796 O ASN A 948 27.757 -10.820 -3.437 1.00 0.00 O ATOM 797 CB ASN A 948 27.990 -12.625 -1.354 1.00 0.00 C ATOM 798 CG ASN A 948 28.324 -13.566 -0.213 1.00 0.00 C ATOM 799 OD1 ASN A 948 28.518 -13.136 0.925 1.00 0.00 O ATOM 800 ND2 ASN A 948 28.385 -14.857 -0.508 1.00 0.00 N ATOM 0 H ASN A 948 28.698 -11.014 0.421 1.00 0.00 H new ATOM 0 HA ASN A 948 29.963 -12.028 -1.980 1.00 0.00 H new ATOM 0 HB2 ASN A 948 27.037 -12.137 -1.151 1.00 0.00 H new ATOM 0 HB3 ASN A 948 27.864 -13.201 -2.271 1.00 0.00 H new ATOM 0 HD21 ASN A 948 28.599 -15.537 0.221 1.00 0.00 H new ATOM 0 HD22 ASN A 948 28.217 -15.170 -1.464 1.00 0.00 H new ATOM 807 N LEU A 949 29.046 -9.284 -2.404 1.00 0.00 N ATOM 808 CA LEU A 949 28.645 -8.189 -3.277 1.00 0.00 C ATOM 809 C LEU A 949 27.132 -8.166 -3.417 1.00 0.00 C ATOM 810 O LEU A 949 26.591 -7.794 -4.459 1.00 0.00 O ATOM 811 CB LEU A 949 29.302 -8.347 -4.647 1.00 0.00 C ATOM 812 CG LEU A 949 30.815 -8.555 -4.605 1.00 0.00 C ATOM 813 CD1 LEU A 949 31.360 -8.819 -5.999 1.00 0.00 C ATOM 814 CD2 LEU A 949 31.502 -7.352 -3.978 1.00 0.00 C ATOM 0 H LEU A 949 29.717 -9.022 -1.681 1.00 0.00 H new ATOM 0 HA LEU A 949 28.971 -7.245 -2.839 1.00 0.00 H new ATOM 0 HB2 LEU A 949 28.846 -9.194 -5.159 1.00 0.00 H new ATOM 0 HB3 LEU A 949 29.086 -7.461 -5.243 1.00 0.00 H new ATOM 0 HG LEU A 949 31.024 -9.429 -3.988 1.00 0.00 H new ATOM 0 HD11 LEU A 949 32.439 -8.964 -5.946 1.00 0.00 H new ATOM 0 HD12 LEU A 949 30.893 -9.715 -6.409 1.00 0.00 H new ATOM 0 HD13 LEU A 949 31.140 -7.968 -6.643 1.00 0.00 H new ATOM 0 HD21 LEU A 949 32.579 -7.518 -3.957 1.00 0.00 H new ATOM 0 HD22 LEU A 949 31.284 -6.461 -4.567 1.00 0.00 H new ATOM 0 HD23 LEU A 949 31.136 -7.213 -2.961 1.00 0.00 H new ATOM 826 N VAL A 950 26.458 -8.583 -2.354 1.00 0.00 N ATOM 827 CA VAL A 950 25.007 -8.636 -2.332 1.00 0.00 C ATOM 828 C VAL A 950 24.421 -7.550 -1.448 1.00 0.00 C ATOM 829 O VAL A 950 25.080 -6.561 -1.121 1.00 0.00 O ATOM 830 CB VAL A 950 24.519 -9.997 -1.809 1.00 0.00 C ATOM 831 CG1 VAL A 950 24.896 -11.108 -2.764 1.00 0.00 C ATOM 832 CG2 VAL A 950 25.094 -10.267 -0.429 1.00 0.00 C ATOM 0 H VAL A 950 26.901 -8.892 -1.489 1.00 0.00 H new ATOM 0 HA VAL A 950 24.672 -8.485 -3.358 1.00 0.00 H new ATOM 0 HB VAL A 950 23.432 -9.966 -1.736 1.00 0.00 H new ATOM 0 HG11 VAL A 950 24.540 -12.061 -2.372 1.00 0.00 H new ATOM 0 HG12 VAL A 950 24.440 -10.922 -3.736 1.00 0.00 H new ATOM 0 HG13 VAL A 950 25.980 -11.142 -2.872 1.00 0.00 H new ATOM 0 HG21 VAL A 950 24.741 -11.234 -0.070 1.00 0.00 H new ATOM 0 HG22 VAL A 950 26.183 -10.276 -0.484 1.00 0.00 H new ATOM 0 HG23 VAL A 950 24.772 -9.485 0.259 1.00 0.00 H new ATOM 842 N TRP A 951 23.177 -7.765 -1.048 1.00 0.00 N ATOM 843 CA TRP A 951 22.466 -6.837 -0.187 1.00 0.00 C ATOM 844 C TRP A 951 21.455 -7.591 0.659 1.00 0.00 C ATOM 845 O TRP A 951 20.570 -8.265 0.130 1.00 0.00 O ATOM 846 CB TRP A 951 21.739 -5.770 -1.014 1.00 0.00 C ATOM 847 CG TRP A 951 22.650 -4.918 -1.850 1.00 0.00 C ATOM 848 CD1 TRP A 951 23.122 -5.196 -3.103 1.00 0.00 C ATOM 849 CD2 TRP A 951 23.210 -3.653 -1.485 1.00 0.00 C ATOM 850 NE1 TRP A 951 23.931 -4.174 -3.541 1.00 0.00 N ATOM 851 CE2 TRP A 951 24.002 -3.216 -2.563 1.00 0.00 C ATOM 852 CE3 TRP A 951 23.113 -2.847 -0.350 1.00 0.00 C ATOM 853 CZ2 TRP A 951 24.692 -2.006 -2.536 1.00 0.00 C ATOM 854 CZ3 TRP A 951 23.797 -1.649 -0.324 1.00 0.00 C ATOM 855 CH2 TRP A 951 24.578 -1.236 -1.411 1.00 0.00 C ATOM 0 H TRP A 951 22.634 -8.587 -1.312 1.00 0.00 H new ATOM 0 HA TRP A 951 23.194 -6.344 0.457 1.00 0.00 H new ATOM 0 HB2 TRP A 951 21.017 -6.261 -1.667 1.00 0.00 H new ATOM 0 HB3 TRP A 951 21.173 -5.126 -0.340 1.00 0.00 H new ATOM 0 HD1 TRP A 951 22.893 -6.088 -3.667 1.00 0.00 H new ATOM 0 HE1 TRP A 951 24.401 -4.135 -4.445 1.00 0.00 H new ATOM 0 HE3 TRP A 951 22.513 -3.156 0.493 1.00 0.00 H new ATOM 0 HZ2 TRP A 951 25.295 -1.687 -3.373 1.00 0.00 H new ATOM 0 HZ3 TRP A 951 23.729 -1.018 0.550 1.00 0.00 H new ATOM 0 HH2 TRP A 951 25.100 -0.292 -1.360 1.00 0.00 H new ATOM 866 N SER A 952 21.599 -7.477 1.974 1.00 0.00 N ATOM 867 CA SER A 952 20.702 -8.148 2.909 1.00 0.00 C ATOM 868 C SER A 952 19.260 -8.052 2.427 1.00 0.00 C ATOM 869 O SER A 952 18.851 -7.038 1.862 1.00 0.00 O ATOM 870 CB SER A 952 20.833 -7.535 4.304 1.00 0.00 C ATOM 871 OG SER A 952 20.507 -6.156 4.289 1.00 0.00 O ATOM 0 H SER A 952 22.331 -6.924 2.419 1.00 0.00 H new ATOM 0 HA SER A 952 20.982 -9.200 2.960 1.00 0.00 H new ATOM 0 HB2 SER A 952 20.176 -8.059 4.998 1.00 0.00 H new ATOM 0 HB3 SER A 952 21.852 -7.667 4.668 1.00 0.00 H new ATOM 0 HG SER A 952 20.597 -5.789 5.193 1.00 0.00 H new ATOM 877 N SER A 953 18.498 -9.117 2.639 1.00 0.00 N ATOM 878 CA SER A 953 17.109 -9.151 2.205 1.00 0.00 C ATOM 879 C SER A 953 16.216 -8.375 3.166 1.00 0.00 C ATOM 880 O SER A 953 16.062 -8.750 4.329 1.00 0.00 O ATOM 881 CB SER A 953 16.627 -10.598 2.103 1.00 0.00 C ATOM 882 OG SER A 953 15.253 -10.658 1.760 1.00 0.00 O ATOM 0 H SER A 953 18.817 -9.965 3.107 1.00 0.00 H new ATOM 0 HA SER A 953 17.049 -8.680 1.224 1.00 0.00 H new ATOM 0 HB2 SER A 953 17.215 -11.128 1.354 1.00 0.00 H new ATOM 0 HB3 SER A 953 16.790 -11.106 3.054 1.00 0.00 H new ATOM 0 HG SER A 953 14.971 -11.595 1.700 1.00 0.00 H new ATOM 888 N PRO A 954 15.612 -7.273 2.686 1.00 0.00 N ATOM 889 CA PRO A 954 14.729 -6.433 3.494 1.00 0.00 C ATOM 890 C PRO A 954 13.369 -7.087 3.718 1.00 0.00 C ATOM 891 O PRO A 954 12.731 -7.556 2.774 1.00 0.00 O ATOM 892 CB PRO A 954 14.583 -5.146 2.662 1.00 0.00 C ATOM 893 CG PRO A 954 15.540 -5.283 1.518 1.00 0.00 C ATOM 894 CD PRO A 954 15.741 -6.755 1.320 1.00 0.00 C ATOM 0 HA PRO A 954 15.132 -6.257 4.491 1.00 0.00 H new ATOM 0 HB2 PRO A 954 13.561 -5.027 2.303 1.00 0.00 H new ATOM 0 HB3 PRO A 954 14.815 -4.266 3.261 1.00 0.00 H new ATOM 0 HG2 PRO A 954 15.139 -4.819 0.617 1.00 0.00 H new ATOM 0 HG3 PRO A 954 16.485 -4.787 1.738 1.00 0.00 H new ATOM 0 HD2 PRO A 954 14.994 -7.181 0.651 1.00 0.00 H new ATOM 0 HD3 PRO A 954 16.718 -6.978 0.891 1.00 0.00 H new ATOM 902 N LYS A 955 12.930 -7.115 4.972 1.00 0.00 N ATOM 903 CA LYS A 955 11.647 -7.714 5.323 1.00 0.00 C ATOM 904 C LYS A 955 10.489 -6.767 5.049 1.00 0.00 C ATOM 905 O LYS A 955 10.398 -6.154 3.985 1.00 0.00 O ATOM 906 CB LYS A 955 11.627 -8.121 6.799 1.00 0.00 C ATOM 907 CG LYS A 955 12.475 -9.333 7.129 1.00 0.00 C ATOM 908 CD LYS A 955 12.152 -10.519 6.228 1.00 0.00 C ATOM 909 CE LYS A 955 10.722 -10.998 6.421 1.00 0.00 C ATOM 910 NZ LYS A 955 10.401 -12.156 5.542 1.00 0.00 N ATOM 0 H LYS A 955 13.445 -6.729 5.764 1.00 0.00 H new ATOM 0 HA LYS A 955 11.526 -8.598 4.697 1.00 0.00 H new ATOM 0 HB2 LYS A 955 11.970 -7.279 7.400 1.00 0.00 H new ATOM 0 HB3 LYS A 955 10.597 -8.323 7.093 1.00 0.00 H new ATOM 0 HG2 LYS A 955 13.529 -9.076 7.026 1.00 0.00 H new ATOM 0 HG3 LYS A 955 12.315 -9.615 8.170 1.00 0.00 H new ATOM 0 HD2 LYS A 955 12.304 -10.237 5.186 1.00 0.00 H new ATOM 0 HD3 LYS A 955 12.841 -11.336 6.441 1.00 0.00 H new ATOM 0 HE2 LYS A 955 10.571 -11.280 7.463 1.00 0.00 H new ATOM 0 HE3 LYS A 955 10.033 -10.180 6.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 955 9.417 -12.452 5.704 1.00 0.00 H new ATOM 0 HZ2 LYS A 955 10.520 -11.880 4.546 1.00 0.00 H new ATOM 0 HZ3 LYS A 955 11.041 -12.946 5.761 1.00 0.00 H new ATOM 924 N ASP A 956 9.605 -6.678 6.029 1.00 0.00 N ATOM 925 CA ASP A 956 8.424 -5.837 5.952 1.00 0.00 C ATOM 926 C ASP A 956 8.793 -4.381 6.214 1.00 0.00 C ATOM 927 O ASP A 956 8.316 -3.762 7.167 1.00 0.00 O ATOM 928 CB ASP A 956 7.408 -6.318 6.986 1.00 0.00 C ATOM 929 CG ASP A 956 5.994 -5.875 6.667 1.00 0.00 C ATOM 930 OD1 ASP A 956 5.757 -4.652 6.596 1.00 0.00 O ATOM 931 OD2 ASP A 956 5.124 -6.754 6.486 1.00 0.00 O ATOM 0 H ASP A 956 9.688 -7.191 6.906 1.00 0.00 H new ATOM 0 HA ASP A 956 7.992 -5.904 4.954 1.00 0.00 H new ATOM 0 HB2 ASP A 956 7.440 -7.406 7.041 1.00 0.00 H new ATOM 0 HB3 ASP A 956 7.690 -5.940 7.969 1.00 0.00 H new ATOM 936 N VAL A 957 9.666 -3.850 5.366 1.00 0.00 N ATOM 937 CA VAL A 957 10.138 -2.478 5.492 1.00 0.00 C ATOM 938 C VAL A 957 9.150 -1.481 4.900 1.00 0.00 C ATOM 939 O VAL A 957 9.002 -0.366 5.400 1.00 0.00 O ATOM 940 CB VAL A 957 11.502 -2.310 4.803 1.00 0.00 C ATOM 941 CG1 VAL A 957 12.546 -3.183 5.479 1.00 0.00 C ATOM 942 CG2 VAL A 957 11.398 -2.647 3.323 1.00 0.00 C ATOM 0 H VAL A 957 10.065 -4.356 4.575 1.00 0.00 H new ATOM 0 HA VAL A 957 10.237 -2.272 6.558 1.00 0.00 H new ATOM 0 HB VAL A 957 11.811 -1.269 4.895 1.00 0.00 H new ATOM 0 HG11 VAL A 957 13.507 -3.054 4.980 1.00 0.00 H new ATOM 0 HG12 VAL A 957 12.639 -2.895 6.526 1.00 0.00 H new ATOM 0 HG13 VAL A 957 12.242 -4.228 5.416 1.00 0.00 H new ATOM 0 HG21 VAL A 957 12.373 -2.522 2.852 1.00 0.00 H new ATOM 0 HG22 VAL A 957 11.068 -3.680 3.207 1.00 0.00 H new ATOM 0 HG23 VAL A 957 10.678 -1.981 2.848 1.00 0.00 H new ATOM 952 N CYS A 958 8.476 -1.892 3.837 1.00 0.00 N ATOM 953 CA CYS A 958 7.496 -1.040 3.171 1.00 0.00 C ATOM 954 C CYS A 958 6.408 -1.895 2.528 1.00 0.00 C ATOM 955 O CYS A 958 6.705 -2.796 1.747 1.00 0.00 O ATOM 956 CB CYS A 958 8.172 -0.183 2.093 1.00 0.00 C ATOM 957 SG CYS A 958 9.663 0.715 2.643 1.00 0.00 S ATOM 0 H CYS A 958 8.589 -2.813 3.414 1.00 0.00 H new ATOM 0 HA CYS A 958 7.049 -0.385 3.919 1.00 0.00 H new ATOM 0 HB2 CYS A 958 8.442 -0.826 1.255 1.00 0.00 H new ATOM 0 HB3 CYS A 958 7.448 0.541 1.719 1.00 0.00 H new ATOM 962 N LYS A 959 5.152 -1.609 2.864 1.00 0.00 N ATOM 963 CA LYS A 959 4.018 -2.357 2.326 1.00 0.00 C ATOM 964 C LYS A 959 2.879 -1.415 1.942 1.00 0.00 C ATOM 965 O LYS A 959 2.711 -0.356 2.547 1.00 0.00 O ATOM 966 CB LYS A 959 3.519 -3.380 3.353 1.00 0.00 C ATOM 967 CG LYS A 959 4.539 -4.454 3.723 1.00 0.00 C ATOM 968 CD LYS A 959 4.594 -5.583 2.698 1.00 0.00 C ATOM 969 CE LYS A 959 5.256 -5.155 1.399 1.00 0.00 C ATOM 970 NZ LYS A 959 5.277 -6.254 0.395 1.00 0.00 N ATOM 0 H LYS A 959 4.893 -0.862 3.509 1.00 0.00 H new ATOM 0 HA LYS A 959 4.354 -2.882 1.432 1.00 0.00 H new ATOM 0 HB2 LYS A 959 3.222 -2.851 4.259 1.00 0.00 H new ATOM 0 HB3 LYS A 959 2.626 -3.865 2.959 1.00 0.00 H new ATOM 0 HG2 LYS A 959 5.526 -3.999 3.811 1.00 0.00 H new ATOM 0 HG3 LYS A 959 4.290 -4.867 4.701 1.00 0.00 H new ATOM 0 HD2 LYS A 959 5.140 -6.427 3.120 1.00 0.00 H new ATOM 0 HD3 LYS A 959 3.582 -5.930 2.490 1.00 0.00 H new ATOM 0 HE2 LYS A 959 4.724 -4.297 0.987 1.00 0.00 H new ATOM 0 HE3 LYS A 959 6.276 -4.830 1.602 1.00 0.00 H new ATOM 0 HZ1 LYS A 959 5.737 -5.920 -0.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 959 5.806 -7.064 0.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 959 4.302 -6.547 0.181 1.00 0.00 H new ATOM 984 N ARG A 960 2.105 -1.801 0.930 1.00 0.00 N ATOM 985 CA ARG A 960 0.989 -0.980 0.463 1.00 0.00 C ATOM 986 C ARG A 960 0.048 -0.607 1.602 1.00 0.00 C ATOM 987 O ARG A 960 -0.528 -1.476 2.258 1.00 0.00 O ATOM 988 CB ARG A 960 0.205 -1.711 -0.630 1.00 0.00 C ATOM 989 CG ARG A 960 0.807 -1.577 -2.018 1.00 0.00 C ATOM 990 CD ARG A 960 0.761 -0.136 -2.499 1.00 0.00 C ATOM 991 NE ARG A 960 1.275 0.010 -3.860 1.00 0.00 N ATOM 992 CZ ARG A 960 0.711 -0.547 -4.929 1.00 0.00 C ATOM 993 NH1 ARG A 960 -0.394 -1.269 -4.803 1.00 0.00 N ATOM 994 NH2 ARG A 960 1.249 -0.375 -6.129 1.00 0.00 N ATOM 0 H ARG A 960 2.229 -2.675 0.418 1.00 0.00 H new ATOM 0 HA ARG A 960 1.412 -0.062 0.055 1.00 0.00 H new ATOM 0 HB2 ARG A 960 0.143 -2.768 -0.373 1.00 0.00 H new ATOM 0 HB3 ARG A 960 -0.815 -1.327 -0.649 1.00 0.00 H new ATOM 0 HG2 ARG A 960 1.839 -1.926 -2.005 1.00 0.00 H new ATOM 0 HG3 ARG A 960 0.264 -2.214 -2.716 1.00 0.00 H new ATOM 0 HD2 ARG A 960 -0.267 0.225 -2.460 1.00 0.00 H new ATOM 0 HD3 ARG A 960 1.345 0.489 -1.823 1.00 0.00 H new ATOM 0 HE ARG A 960 2.115 0.572 -3.998 1.00 0.00 H new ATOM 0 HH11 ARG A 960 -0.816 -1.400 -3.884 1.00 0.00 H new ATOM 0 HH12 ARG A 960 -0.822 -1.694 -5.626 1.00 0.00 H new ATOM 0 HH21 ARG A 960 2.096 0.184 -6.233 1.00 0.00 H new ATOM 0 HH22 ARG A 960 0.816 -0.802 -6.948 1.00 0.00 H new ATOM 1008 N LYS A 961 -0.109 0.696 1.819 1.00 0.00 N ATOM 1009 CA LYS A 961 -0.989 1.208 2.864 1.00 0.00 C ATOM 1010 C LYS A 961 -2.419 0.721 2.665 1.00 0.00 C ATOM 1011 O LYS A 961 -2.688 -0.124 1.814 1.00 0.00 O ATOM 1012 CB LYS A 961 -0.960 2.738 2.881 1.00 0.00 C ATOM 1013 CG LYS A 961 0.387 3.317 3.291 1.00 0.00 C ATOM 1014 CD LYS A 961 0.388 4.836 3.224 1.00 0.00 C ATOM 1015 CE LYS A 961 -0.619 5.444 4.188 1.00 0.00 C ATOM 1016 NZ LYS A 961 -0.346 5.050 5.597 1.00 0.00 N ATOM 0 H LYS A 961 0.366 1.421 1.281 1.00 0.00 H new ATOM 0 HA LYS A 961 -0.627 0.831 3.821 1.00 0.00 H new ATOM 0 HB2 LYS A 961 -1.219 3.109 1.889 1.00 0.00 H new ATOM 0 HB3 LYS A 961 -1.726 3.100 3.567 1.00 0.00 H new ATOM 0 HG2 LYS A 961 0.628 2.997 4.305 1.00 0.00 H new ATOM 0 HG3 LYS A 961 1.167 2.923 2.639 1.00 0.00 H new ATOM 0 HD2 LYS A 961 1.385 5.210 3.457 1.00 0.00 H new ATOM 0 HD3 LYS A 961 0.157 5.155 2.208 1.00 0.00 H new ATOM 0 HE2 LYS A 961 -0.593 6.530 4.103 1.00 0.00 H new ATOM 0 HE3 LYS A 961 -1.624 5.127 3.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 961 -0.905 5.648 6.239 1.00 0.00 H new ATOM 0 HZ2 LYS A 961 -0.609 4.053 5.736 1.00 0.00 H new ATOM 0 HZ3 LYS A 961 0.666 5.173 5.802 1.00 0.00 H new ATOM 1030 N SER A 962 -3.339 1.271 3.449 1.00 0.00 N ATOM 1031 CA SER A 962 -4.743 0.900 3.353 1.00 0.00 C ATOM 1032 C SER A 962 -5.637 2.043 3.814 1.00 0.00 C ATOM 1033 O SER A 962 -5.352 2.702 4.815 1.00 0.00 O ATOM 1034 CB SER A 962 -5.022 -0.354 4.183 1.00 0.00 C ATOM 1035 OG SER A 962 -4.724 -0.137 5.552 1.00 0.00 O ATOM 0 H SER A 962 -3.136 1.976 4.158 1.00 0.00 H new ATOM 0 HA SER A 962 -4.967 0.687 2.308 1.00 0.00 H new ATOM 0 HB2 SER A 962 -6.069 -0.639 4.076 1.00 0.00 H new ATOM 0 HB3 SER A 962 -4.425 -1.184 3.805 1.00 0.00 H new ATOM 0 HG SER A 962 -4.912 -0.953 6.061 1.00 0.00 H new ATOM 1041 N CYS A 963 -6.718 2.275 3.078 1.00 0.00 N ATOM 1042 CA CYS A 963 -7.656 3.340 3.411 1.00 0.00 C ATOM 1043 C CYS A 963 -8.623 2.885 4.499 1.00 0.00 C ATOM 1044 O CYS A 963 -9.806 3.214 4.467 1.00 0.00 O ATOM 1045 CB CYS A 963 -8.437 3.756 2.162 1.00 0.00 C ATOM 1046 SG CYS A 963 -7.391 4.236 0.750 1.00 0.00 S ATOM 0 H CYS A 963 -6.966 1.739 2.246 1.00 0.00 H new ATOM 0 HA CYS A 963 -7.091 4.194 3.784 1.00 0.00 H new ATOM 0 HB2 CYS A 963 -9.081 2.930 1.858 1.00 0.00 H new ATOM 0 HB3 CYS A 963 -9.089 4.591 2.417 1.00 0.00 H new ATOM 1051 N LYS A 964 -8.100 2.132 5.461 1.00 0.00 N ATOM 1052 CA LYS A 964 -8.894 1.617 6.568 1.00 0.00 C ATOM 1053 C LYS A 964 -10.042 0.747 6.061 1.00 0.00 C ATOM 1054 O LYS A 964 -10.790 1.144 5.169 1.00 0.00 O ATOM 1055 CB LYS A 964 -9.434 2.772 7.400 1.00 0.00 C ATOM 1056 CG LYS A 964 -10.283 2.330 8.578 1.00 0.00 C ATOM 1057 CD LYS A 964 -10.766 3.519 9.386 1.00 0.00 C ATOM 1058 CE LYS A 964 -11.770 4.355 8.607 1.00 0.00 C ATOM 1059 NZ LYS A 964 -12.273 5.506 9.405 1.00 0.00 N ATOM 0 H LYS A 964 -7.117 1.863 5.494 1.00 0.00 H new ATOM 0 HA LYS A 964 -8.252 0.996 7.192 1.00 0.00 H new ATOM 0 HB2 LYS A 964 -8.597 3.365 7.769 1.00 0.00 H new ATOM 0 HB3 LYS A 964 -10.028 3.423 6.759 1.00 0.00 H new ATOM 0 HG2 LYS A 964 -11.140 1.760 8.218 1.00 0.00 H new ATOM 0 HG3 LYS A 964 -9.703 1.664 9.217 1.00 0.00 H new ATOM 0 HD2 LYS A 964 -11.223 3.169 10.311 1.00 0.00 H new ATOM 0 HD3 LYS A 964 -9.915 4.139 9.666 1.00 0.00 H new ATOM 0 HE2 LYS A 964 -11.304 4.723 7.693 1.00 0.00 H new ATOM 0 HE3 LYS A 964 -12.609 3.728 8.307 1.00 0.00 H new ATOM 0 HZ1 LYS A 964 -12.954 6.050 8.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 964 -12.740 5.154 10.265 1.00 0.00 H new ATOM 0 HZ3 LYS A 964 -11.476 6.119 9.670 1.00 0.00 H new ATOM 1073 N THR A 965 -10.180 -0.444 6.635 1.00 0.00 N ATOM 1074 CA THR A 965 -11.240 -1.356 6.227 1.00 0.00 C ATOM 1075 C THR A 965 -12.607 -0.699 6.391 1.00 0.00 C ATOM 1076 O THR A 965 -12.939 -0.197 7.465 1.00 0.00 O ATOM 1077 CB THR A 965 -11.209 -2.664 7.039 1.00 0.00 C ATOM 1078 OG1 THR A 965 -9.914 -3.271 6.943 1.00 0.00 O ATOM 1079 CG2 THR A 965 -12.265 -3.637 6.532 1.00 0.00 C ATOM 0 H THR A 965 -9.576 -0.797 7.378 1.00 0.00 H new ATOM 0 HA THR A 965 -11.070 -1.594 5.177 1.00 0.00 H new ATOM 0 HB THR A 965 -11.422 -2.425 8.081 1.00 0.00 H new ATOM 0 HG1 THR A 965 -9.902 -4.101 7.464 1.00 0.00 H new ATOM 0 HG21 THR A 965 -12.226 -4.555 7.119 1.00 0.00 H new ATOM 0 HG22 THR A 965 -13.252 -3.186 6.629 1.00 0.00 H new ATOM 0 HG23 THR A 965 -12.073 -3.868 5.484 1.00 0.00 H new ATOM 1087 N PRO A 966 -13.422 -0.688 5.322 1.00 0.00 N ATOM 1088 CA PRO A 966 -14.757 -0.084 5.354 1.00 0.00 C ATOM 1089 C PRO A 966 -15.727 -0.863 6.237 1.00 0.00 C ATOM 1090 O PRO A 966 -15.873 -2.076 6.088 1.00 0.00 O ATOM 1091 CB PRO A 966 -15.208 -0.138 3.893 1.00 0.00 C ATOM 1092 CG PRO A 966 -14.438 -1.269 3.305 1.00 0.00 C ATOM 1093 CD PRO A 966 -13.107 -1.262 4.000 1.00 0.00 C ATOM 0 HA PRO A 966 -14.736 0.922 5.772 1.00 0.00 H new ATOM 0 HB2 PRO A 966 -16.282 -0.307 3.815 1.00 0.00 H new ATOM 0 HB3 PRO A 966 -14.994 0.798 3.377 1.00 0.00 H new ATOM 0 HG2 PRO A 966 -14.955 -2.216 3.459 1.00 0.00 H new ATOM 0 HG3 PRO A 966 -14.318 -1.143 2.229 1.00 0.00 H new ATOM 0 HD2 PRO A 966 -12.692 -2.266 4.085 1.00 0.00 H new ATOM 0 HD3 PRO A 966 -12.375 -0.659 3.463 1.00 0.00 H new ATOM 1101 N PRO A 967 -16.412 -0.174 7.169 1.00 0.00 N ATOM 1102 CA PRO A 967 -17.375 -0.815 8.068 1.00 0.00 C ATOM 1103 C PRO A 967 -18.504 -1.486 7.295 1.00 0.00 C ATOM 1104 O PRO A 967 -19.099 -0.882 6.403 1.00 0.00 O ATOM 1105 CB PRO A 967 -17.918 0.344 8.911 1.00 0.00 C ATOM 1106 CG PRO A 967 -16.901 1.426 8.786 1.00 0.00 C ATOM 1107 CD PRO A 967 -16.305 1.273 7.416 1.00 0.00 C ATOM 0 HA PRO A 967 -16.917 -1.603 8.665 1.00 0.00 H new ATOM 0 HB2 PRO A 967 -18.891 0.674 8.547 1.00 0.00 H new ATOM 0 HB3 PRO A 967 -18.051 0.046 9.951 1.00 0.00 H new ATOM 0 HG2 PRO A 967 -17.359 2.408 8.906 1.00 0.00 H new ATOM 0 HG3 PRO A 967 -16.136 1.335 9.557 1.00 0.00 H new ATOM 0 HD2 PRO A 967 -16.852 1.851 6.671 1.00 0.00 H new ATOM 0 HD3 PRO A 967 -15.270 1.612 7.386 1.00 0.00 H new ATOM 1115 N ASP A 968 -18.791 -2.737 7.637 1.00 0.00 N ATOM 1116 CA ASP A 968 -19.847 -3.483 6.963 1.00 0.00 C ATOM 1117 C ASP A 968 -21.201 -2.801 7.148 1.00 0.00 C ATOM 1118 O ASP A 968 -21.666 -2.621 8.274 1.00 0.00 O ATOM 1119 CB ASP A 968 -19.907 -4.917 7.494 1.00 0.00 C ATOM 1120 CG ASP A 968 -20.185 -4.975 8.983 1.00 0.00 C ATOM 1121 OD1 ASP A 968 -19.374 -4.429 9.760 1.00 0.00 O ATOM 1122 OD2 ASP A 968 -21.213 -5.567 9.373 1.00 0.00 O ATOM 0 H ASP A 968 -18.310 -3.254 8.373 1.00 0.00 H new ATOM 0 HA ASP A 968 -19.616 -3.507 5.898 1.00 0.00 H new ATOM 0 HB2 ASP A 968 -20.684 -5.466 6.961 1.00 0.00 H new ATOM 0 HB3 ASP A 968 -18.962 -5.418 7.285 1.00 0.00 H new ATOM 1127 N PRO A 969 -21.857 -2.414 6.039 1.00 0.00 N ATOM 1128 CA PRO A 969 -23.165 -1.756 6.089 1.00 0.00 C ATOM 1129 C PRO A 969 -24.267 -2.709 6.515 1.00 0.00 C ATOM 1130 O PRO A 969 -24.298 -3.868 6.100 1.00 0.00 O ATOM 1131 CB PRO A 969 -23.385 -1.287 4.651 1.00 0.00 C ATOM 1132 CG PRO A 969 -22.580 -2.225 3.821 1.00 0.00 C ATOM 1133 CD PRO A 969 -21.381 -2.592 4.654 1.00 0.00 C ATOM 0 HA PRO A 969 -23.189 -0.947 6.819 1.00 0.00 H new ATOM 0 HB2 PRO A 969 -24.440 -1.323 4.379 1.00 0.00 H new ATOM 0 HB3 PRO A 969 -23.056 -0.257 4.516 1.00 0.00 H new ATOM 0 HG2 PRO A 969 -23.159 -3.111 3.560 1.00 0.00 H new ATOM 0 HG3 PRO A 969 -22.276 -1.756 2.885 1.00 0.00 H new ATOM 0 HD2 PRO A 969 -21.062 -3.617 4.468 1.00 0.00 H new ATOM 0 HD3 PRO A 969 -20.529 -1.948 4.437 1.00 0.00 H new ATOM 1141 N VAL A 970 -25.165 -2.211 7.353 1.00 0.00 N ATOM 1142 CA VAL A 970 -26.269 -3.000 7.851 1.00 0.00 C ATOM 1143 C VAL A 970 -27.035 -3.657 6.708 1.00 0.00 C ATOM 1144 O VAL A 970 -27.408 -2.996 5.739 1.00 0.00 O ATOM 1145 CB VAL A 970 -27.227 -2.120 8.664 1.00 0.00 C ATOM 1146 CG1 VAL A 970 -28.256 -2.978 9.357 1.00 0.00 C ATOM 1147 CG2 VAL A 970 -26.458 -1.275 9.669 1.00 0.00 C ATOM 0 H VAL A 970 -25.144 -1.253 7.702 1.00 0.00 H new ATOM 0 HA VAL A 970 -25.857 -3.781 8.491 1.00 0.00 H new ATOM 0 HB VAL A 970 -27.743 -1.443 7.984 1.00 0.00 H new ATOM 0 HG11 VAL A 970 -28.931 -2.344 9.931 1.00 0.00 H new ATOM 0 HG12 VAL A 970 -28.826 -3.535 8.613 1.00 0.00 H new ATOM 0 HG13 VAL A 970 -27.755 -3.676 10.028 1.00 0.00 H new ATOM 0 HG21 VAL A 970 -27.156 -0.658 10.235 1.00 0.00 H new ATOM 0 HG22 VAL A 970 -25.914 -1.927 10.352 1.00 0.00 H new ATOM 0 HG23 VAL A 970 -25.753 -0.633 9.141 1.00 0.00 H new ATOM 1157 N ASN A 971 -27.263 -4.962 6.829 1.00 0.00 N ATOM 1158 CA ASN A 971 -27.983 -5.714 5.806 1.00 0.00 C ATOM 1159 C ASN A 971 -27.305 -5.577 4.447 1.00 0.00 C ATOM 1160 O ASN A 971 -27.947 -5.217 3.458 1.00 0.00 O ATOM 1161 CB ASN A 971 -29.432 -5.233 5.708 1.00 0.00 C ATOM 1162 CG ASN A 971 -30.169 -5.328 7.028 1.00 0.00 C ATOM 1163 OD1 ASN A 971 -30.682 -4.198 7.498 1.00 0.00 O flip ATOM 1164 ND2 ASN A 971 -30.280 -6.404 7.616 1.00 0.00 N flip ATOM 0 H ASN A 971 -26.959 -5.521 7.626 1.00 0.00 H new ATOM 0 HA ASN A 971 -27.972 -6.764 6.097 1.00 0.00 H new ATOM 0 HB2 ASN A 971 -29.445 -4.199 5.363 1.00 0.00 H new ATOM 0 HB3 ASN A 971 -29.958 -5.826 4.959 1.00 0.00 H new ATOM 0 HD21 ASN A 971 -29.869 -7.248 7.217 1.00 0.00 H new ATOM 0 HD22 ASN A 971 -30.783 -6.451 8.502 1.00 0.00 H new ATOM 1171 N GLY A 972 -26.007 -5.864 4.396 1.00 0.00 N ATOM 1172 CA GLY A 972 -25.284 -5.759 3.142 1.00 0.00 C ATOM 1173 C GLY A 972 -24.014 -6.585 3.113 1.00 0.00 C ATOM 1174 O GLY A 972 -23.910 -7.598 3.804 1.00 0.00 O ATOM 0 H GLY A 972 -25.447 -6.165 5.194 1.00 0.00 H new ATOM 0 HA2 GLY A 972 -25.935 -6.077 2.327 1.00 0.00 H new ATOM 0 HA3 GLY A 972 -25.034 -4.714 2.961 1.00 0.00 H new ATOM 1178 N MET A 973 -23.051 -6.150 2.298 1.00 0.00 N ATOM 1179 CA MET A 973 -21.780 -6.855 2.156 1.00 0.00 C ATOM 1180 C MET A 973 -20.914 -6.211 1.072 1.00 0.00 C ATOM 1181 O MET A 973 -21.309 -6.152 -0.094 1.00 0.00 O ATOM 1182 CB MET A 973 -22.051 -8.321 1.806 1.00 0.00 C ATOM 1183 CG MET A 973 -20.827 -9.101 1.359 1.00 0.00 C ATOM 1184 SD MET A 973 -21.235 -10.793 0.890 1.00 0.00 S ATOM 1185 CE MET A 973 -22.551 -10.509 -0.296 1.00 0.00 C ATOM 0 H MET A 973 -23.130 -5.310 1.725 1.00 0.00 H new ATOM 0 HA MET A 973 -21.239 -6.795 3.100 1.00 0.00 H new ATOM 0 HB2 MET A 973 -22.482 -8.815 2.677 1.00 0.00 H new ATOM 0 HB3 MET A 973 -22.799 -8.360 1.014 1.00 0.00 H new ATOM 0 HG2 MET A 973 -20.363 -8.593 0.514 1.00 0.00 H new ATOM 0 HG3 MET A 973 -20.093 -9.116 2.165 1.00 0.00 H new ATOM 0 HE1 MET A 973 -22.643 -11.375 -0.951 1.00 0.00 H new ATOM 0 HE2 MET A 973 -23.491 -10.353 0.234 1.00 0.00 H new ATOM 0 HE3 MET A 973 -22.320 -9.626 -0.892 1.00 0.00 H new ATOM 1195 N VAL A 974 -19.729 -5.736 1.457 1.00 0.00 N ATOM 1196 CA VAL A 974 -18.816 -5.111 0.504 1.00 0.00 C ATOM 1197 C VAL A 974 -17.714 -6.067 0.086 1.00 0.00 C ATOM 1198 O VAL A 974 -16.969 -6.597 0.911 1.00 0.00 O ATOM 1199 CB VAL A 974 -18.176 -3.818 1.062 1.00 0.00 C ATOM 1200 CG1 VAL A 974 -17.256 -4.121 2.236 1.00 0.00 C ATOM 1201 CG2 VAL A 974 -17.408 -3.095 -0.033 1.00 0.00 C ATOM 0 H VAL A 974 -19.382 -5.772 2.415 1.00 0.00 H new ATOM 0 HA VAL A 974 -19.421 -4.850 -0.364 1.00 0.00 H new ATOM 0 HB VAL A 974 -18.979 -3.173 1.419 1.00 0.00 H new ATOM 0 HG11 VAL A 974 -16.821 -3.193 2.607 1.00 0.00 H new ATOM 0 HG12 VAL A 974 -17.827 -4.597 3.033 1.00 0.00 H new ATOM 0 HG13 VAL A 974 -16.460 -4.790 1.911 1.00 0.00 H new ATOM 0 HG21 VAL A 974 -16.963 -2.187 0.374 1.00 0.00 H new ATOM 0 HG22 VAL A 974 -16.621 -3.745 -0.415 1.00 0.00 H new ATOM 0 HG23 VAL A 974 -18.089 -2.834 -0.843 1.00 0.00 H new ATOM 1211 N HIS A 975 -17.615 -6.260 -1.213 1.00 0.00 N ATOM 1212 CA HIS A 975 -16.606 -7.120 -1.791 1.00 0.00 C ATOM 1213 C HIS A 975 -15.333 -6.304 -2.025 1.00 0.00 C ATOM 1214 O HIS A 975 -15.258 -5.488 -2.945 1.00 0.00 O ATOM 1215 CB HIS A 975 -17.175 -7.721 -3.074 1.00 0.00 C ATOM 1216 CG HIS A 975 -16.175 -8.078 -4.111 1.00 0.00 C ATOM 1217 ND1 HIS A 975 -15.992 -7.555 -5.333 1.00 0.00 N flip ATOM 1218 CD2 HIS A 975 -15.238 -9.078 -3.968 1.00 0.00 C flip ATOM 1219 CE1 HIS A 975 -14.955 -8.240 -5.921 1.00 0.00 C flip ATOM 1220 NE2 HIS A 975 -14.516 -9.156 -5.073 1.00 0.00 N flip ATOM 0 H HIS A 975 -18.233 -5.824 -1.898 1.00 0.00 H new ATOM 0 HA HIS A 975 -16.339 -7.942 -1.127 1.00 0.00 H new ATOM 0 HB2 HIS A 975 -17.740 -8.617 -2.816 1.00 0.00 H new ATOM 0 HB3 HIS A 975 -17.882 -7.012 -3.505 1.00 0.00 H new ATOM 0 HD1 HIS A 975 -16.524 -6.790 -5.749 1.00 0.00 H new ATOM 0 HD2 HIS A 975 -15.113 -9.699 -3.093 1.00 0.00 H new ATOM 0 HE1 HIS A 975 -14.563 -8.060 -6.911 1.00 0.00 H new ATOM 1229 N VAL A 976 -14.361 -6.501 -1.140 1.00 0.00 N ATOM 1230 CA VAL A 976 -13.101 -5.772 -1.169 1.00 0.00 C ATOM 1231 C VAL A 976 -12.388 -5.824 -2.507 1.00 0.00 C ATOM 1232 O VAL A 976 -11.526 -4.989 -2.781 1.00 0.00 O ATOM 1233 CB VAL A 976 -12.156 -6.284 -0.079 1.00 0.00 C ATOM 1234 CG1 VAL A 976 -12.734 -6.010 1.300 1.00 0.00 C ATOM 1235 CG2 VAL A 976 -11.892 -7.761 -0.277 1.00 0.00 C ATOM 0 H VAL A 976 -14.427 -7.176 -0.378 1.00 0.00 H new ATOM 0 HA VAL A 976 -13.367 -4.730 -0.989 1.00 0.00 H new ATOM 0 HB VAL A 976 -11.207 -5.752 -0.153 1.00 0.00 H new ATOM 0 HG11 VAL A 976 -12.049 -6.381 2.062 1.00 0.00 H new ATOM 0 HG12 VAL A 976 -12.874 -4.937 1.429 1.00 0.00 H new ATOM 0 HG13 VAL A 976 -13.695 -6.516 1.399 1.00 0.00 H new ATOM 0 HG21 VAL A 976 -11.219 -8.118 0.502 1.00 0.00 H new ATOM 0 HG22 VAL A 976 -12.833 -8.309 -0.223 1.00 0.00 H new ATOM 0 HG23 VAL A 976 -11.434 -7.921 -1.253 1.00 0.00 H new ATOM 1245 N ILE A 977 -12.716 -6.802 -3.327 1.00 0.00 N ATOM 1246 CA ILE A 977 -12.060 -6.939 -4.615 1.00 0.00 C ATOM 1247 C ILE A 977 -10.595 -7.295 -4.401 1.00 0.00 C ATOM 1248 O ILE A 977 -9.690 -6.558 -4.788 1.00 0.00 O ATOM 1249 CB ILE A 977 -12.189 -5.666 -5.468 1.00 0.00 C ATOM 1250 CG1 ILE A 977 -13.669 -5.338 -5.646 1.00 0.00 C ATOM 1251 CG2 ILE A 977 -11.506 -5.851 -6.820 1.00 0.00 C ATOM 1252 CD1 ILE A 977 -13.942 -4.285 -6.685 1.00 0.00 C ATOM 0 H ILE A 977 -13.425 -7.508 -3.129 1.00 0.00 H new ATOM 0 HA ILE A 977 -12.556 -7.739 -5.165 1.00 0.00 H new ATOM 0 HB ILE A 977 -11.694 -4.837 -4.962 1.00 0.00 H new ATOM 0 HG12 ILE A 977 -14.202 -6.249 -5.918 1.00 0.00 H new ATOM 0 HG13 ILE A 977 -14.074 -5.005 -4.691 1.00 0.00 H new ATOM 0 HG21 ILE A 977 -11.609 -4.939 -7.408 1.00 0.00 H new ATOM 0 HG22 ILE A 977 -10.449 -6.066 -6.667 1.00 0.00 H new ATOM 0 HG23 ILE A 977 -11.972 -6.680 -7.353 1.00 0.00 H new ATOM 0 HD11 ILE A 977 -15.016 -4.109 -6.751 1.00 0.00 H new ATOM 0 HD12 ILE A 977 -13.439 -3.359 -6.406 1.00 0.00 H new ATOM 0 HD13 ILE A 977 -13.569 -4.623 -7.652 1.00 0.00 H new ATOM 1264 N THR A 978 -10.405 -8.440 -3.751 1.00 0.00 N ATOM 1265 CA THR A 978 -9.090 -8.994 -3.411 1.00 0.00 C ATOM 1266 C THR A 978 -8.498 -8.350 -2.162 1.00 0.00 C ATOM 1267 O THR A 978 -8.040 -9.057 -1.265 1.00 0.00 O ATOM 1268 CB THR A 978 -8.067 -8.877 -4.562 1.00 0.00 C ATOM 1269 OG1 THR A 978 -7.585 -7.533 -4.673 1.00 0.00 O ATOM 1270 CG2 THR A 978 -8.684 -9.309 -5.882 1.00 0.00 C ATOM 0 H THR A 978 -11.178 -9.026 -3.437 1.00 0.00 H new ATOM 0 HA THR A 978 -9.276 -10.051 -3.220 1.00 0.00 H new ATOM 0 HB THR A 978 -7.231 -9.538 -4.333 1.00 0.00 H new ATOM 0 HG1 THR A 978 -8.332 -6.934 -4.882 1.00 0.00 H new ATOM 0 HG21 THR A 978 -7.944 -9.217 -6.677 1.00 0.00 H new ATOM 0 HG22 THR A 978 -9.011 -10.346 -5.809 1.00 0.00 H new ATOM 0 HG23 THR A 978 -9.540 -8.674 -6.109 1.00 0.00 H new ATOM 1278 N ASP A 979 -8.503 -7.022 -2.089 1.00 0.00 N ATOM 1279 CA ASP A 979 -7.950 -6.336 -0.921 1.00 0.00 C ATOM 1280 C ASP A 979 -8.543 -4.941 -0.748 1.00 0.00 C ATOM 1281 O ASP A 979 -9.620 -4.645 -1.260 1.00 0.00 O ATOM 1282 CB ASP A 979 -6.430 -6.227 -1.045 1.00 0.00 C ATOM 1283 CG ASP A 979 -5.737 -7.576 -1.058 1.00 0.00 C ATOM 1284 OD1 ASP A 979 -5.845 -8.309 -0.053 1.00 0.00 O ATOM 1285 OD2 ASP A 979 -5.088 -7.900 -2.076 1.00 0.00 O ATOM 0 H ASP A 979 -8.877 -6.406 -2.811 1.00 0.00 H new ATOM 0 HA ASP A 979 -8.211 -6.928 -0.044 1.00 0.00 H new ATOM 0 HB2 ASP A 979 -6.184 -5.690 -1.961 1.00 0.00 H new ATOM 0 HB3 ASP A 979 -6.045 -5.635 -0.215 1.00 0.00 H new ATOM 1290 N ILE A 980 -7.823 -4.085 -0.022 1.00 0.00 N ATOM 1291 CA ILE A 980 -8.268 -2.718 0.221 1.00 0.00 C ATOM 1292 C ILE A 980 -7.084 -1.774 0.413 1.00 0.00 C ATOM 1293 O ILE A 980 -7.220 -0.707 1.011 1.00 0.00 O ATOM 1294 CB ILE A 980 -9.183 -2.626 1.458 1.00 0.00 C ATOM 1295 CG1 ILE A 980 -8.537 -3.320 2.659 1.00 0.00 C ATOM 1296 CG2 ILE A 980 -10.549 -3.222 1.159 1.00 0.00 C ATOM 1297 CD1 ILE A 980 -9.396 -3.299 3.906 1.00 0.00 C ATOM 0 H ILE A 980 -6.928 -4.318 0.408 1.00 0.00 H new ATOM 0 HA ILE A 980 -8.833 -2.417 -0.662 1.00 0.00 H new ATOM 0 HB ILE A 980 -9.319 -1.574 1.707 1.00 0.00 H new ATOM 0 HG12 ILE A 980 -8.319 -4.355 2.396 1.00 0.00 H new ATOM 0 HG13 ILE A 980 -7.584 -2.839 2.877 1.00 0.00 H new ATOM 0 HG21 ILE A 980 -11.180 -3.148 2.045 1.00 0.00 H new ATOM 0 HG22 ILE A 980 -11.012 -2.677 0.337 1.00 0.00 H new ATOM 0 HG23 ILE A 980 -10.436 -4.270 0.881 1.00 0.00 H new ATOM 0 HD11 ILE A 980 -8.874 -3.809 4.716 1.00 0.00 H new ATOM 0 HD12 ILE A 980 -9.593 -2.267 4.195 1.00 0.00 H new ATOM 0 HD13 ILE A 980 -10.340 -3.807 3.706 1.00 0.00 H new ATOM 1309 N GLN A 981 -5.930 -2.165 -0.117 1.00 0.00 N ATOM 1310 CA GLN A 981 -4.729 -1.341 -0.024 1.00 0.00 C ATOM 1311 C GLN A 981 -4.805 -0.191 -1.015 1.00 0.00 C ATOM 1312 O GLN A 981 -5.660 -0.189 -1.899 1.00 0.00 O ATOM 1313 CB GLN A 981 -3.472 -2.178 -0.283 1.00 0.00 C ATOM 1314 CG GLN A 981 -3.017 -2.990 0.921 1.00 0.00 C ATOM 1315 CD GLN A 981 -4.139 -3.785 1.555 1.00 0.00 C ATOM 1316 OE1 GLN A 981 -4.745 -4.646 0.918 1.00 0.00 O ATOM 1317 NE2 GLN A 981 -4.421 -3.496 2.820 1.00 0.00 N ATOM 0 H GLN A 981 -5.800 -3.046 -0.615 1.00 0.00 H new ATOM 0 HA GLN A 981 -4.669 -0.936 0.986 1.00 0.00 H new ATOM 0 HB2 GLN A 981 -3.663 -2.855 -1.115 1.00 0.00 H new ATOM 0 HB3 GLN A 981 -2.663 -1.516 -0.590 1.00 0.00 H new ATOM 0 HG2 GLN A 981 -2.224 -3.672 0.614 1.00 0.00 H new ATOM 0 HG3 GLN A 981 -2.589 -2.318 1.665 1.00 0.00 H new ATOM 0 HE21 GLN A 981 -3.892 -2.774 3.308 1.00 0.00 H new ATOM 0 HE22 GLN A 981 -5.167 -3.996 3.303 1.00 0.00 H new ATOM 1326 N VAL A 982 -3.914 0.785 -0.864 1.00 0.00 N ATOM 1327 CA VAL A 982 -3.890 1.939 -1.754 1.00 0.00 C ATOM 1328 C VAL A 982 -3.766 1.496 -3.211 1.00 0.00 C ATOM 1329 O VAL A 982 -2.669 1.442 -3.769 1.00 0.00 O ATOM 1330 CB VAL A 982 -2.739 2.900 -1.406 1.00 0.00 C ATOM 1331 CG1 VAL A 982 -2.687 4.050 -2.396 1.00 0.00 C ATOM 1332 CG2 VAL A 982 -2.896 3.423 0.014 1.00 0.00 C ATOM 0 H VAL A 982 -3.201 0.799 -0.135 1.00 0.00 H new ATOM 0 HA VAL A 982 -4.832 2.470 -1.618 1.00 0.00 H new ATOM 0 HB VAL A 982 -1.799 2.351 -1.470 1.00 0.00 H new ATOM 0 HG11 VAL A 982 -1.867 4.719 -2.134 1.00 0.00 H new ATOM 0 HG12 VAL A 982 -2.529 3.658 -3.401 1.00 0.00 H new ATOM 0 HG13 VAL A 982 -3.628 4.600 -2.365 1.00 0.00 H new ATOM 0 HG21 VAL A 982 -2.074 4.101 0.245 1.00 0.00 H new ATOM 0 HG22 VAL A 982 -3.843 3.956 0.103 1.00 0.00 H new ATOM 0 HG23 VAL A 982 -2.884 2.587 0.713 1.00 0.00 H new ATOM 1342 N GLY A 983 -4.905 1.168 -3.810 1.00 0.00 N ATOM 1343 CA GLY A 983 -4.929 0.719 -5.187 1.00 0.00 C ATOM 1344 C GLY A 983 -6.185 -0.068 -5.509 1.00 0.00 C ATOM 1345 O GLY A 983 -6.821 0.158 -6.539 1.00 0.00 O ATOM 0 H GLY A 983 -5.820 1.206 -3.360 1.00 0.00 H new ATOM 0 HA2 GLY A 983 -4.862 1.581 -5.850 1.00 0.00 H new ATOM 0 HA3 GLY A 983 -4.054 0.099 -5.381 1.00 0.00 H new ATOM 1349 N SER A 984 -6.543 -0.998 -4.624 1.00 0.00 N ATOM 1350 CA SER A 984 -7.727 -1.824 -4.813 1.00 0.00 C ATOM 1351 C SER A 984 -9.001 -1.043 -4.506 1.00 0.00 C ATOM 1352 O SER A 984 -9.062 -0.281 -3.537 1.00 0.00 O ATOM 1353 CB SER A 984 -7.652 -3.066 -3.924 1.00 0.00 C ATOM 1354 OG SER A 984 -6.508 -3.845 -4.229 1.00 0.00 O ATOM 0 H SER A 984 -6.026 -1.196 -3.768 1.00 0.00 H new ATOM 0 HA SER A 984 -7.758 -2.130 -5.859 1.00 0.00 H new ATOM 0 HB2 SER A 984 -7.622 -2.766 -2.877 1.00 0.00 H new ATOM 0 HB3 SER A 984 -8.551 -3.667 -4.058 1.00 0.00 H new ATOM 0 HG SER A 984 -6.636 -4.758 -3.897 1.00 0.00 H new ATOM 1360 N ARG A 985 -10.017 -1.244 -5.336 1.00 0.00 N ATOM 1361 CA ARG A 985 -11.300 -0.577 -5.162 1.00 0.00 C ATOM 1362 C ARG A 985 -12.324 -1.542 -4.573 1.00 0.00 C ATOM 1363 O ARG A 985 -12.374 -2.706 -4.960 1.00 0.00 O ATOM 1364 CB ARG A 985 -11.804 -0.041 -6.504 1.00 0.00 C ATOM 1365 CG ARG A 985 -13.151 0.656 -6.416 1.00 0.00 C ATOM 1366 CD ARG A 985 -13.653 1.077 -7.787 1.00 0.00 C ATOM 1367 NE ARG A 985 -12.743 2.012 -8.442 1.00 0.00 N ATOM 1368 CZ ARG A 985 -12.959 2.526 -9.648 1.00 0.00 C ATOM 1369 NH1 ARG A 985 -14.052 2.201 -10.325 1.00 0.00 N ATOM 1370 NH2 ARG A 985 -12.084 3.368 -10.179 1.00 0.00 N ATOM 0 H ARG A 985 -9.976 -1.868 -6.142 1.00 0.00 H new ATOM 0 HA ARG A 985 -11.165 0.258 -4.474 1.00 0.00 H new ATOM 0 HB2 ARG A 985 -11.069 0.657 -6.906 1.00 0.00 H new ATOM 0 HB3 ARG A 985 -11.878 -0.868 -7.211 1.00 0.00 H new ATOM 0 HG2 ARG A 985 -13.877 -0.011 -5.951 1.00 0.00 H new ATOM 0 HG3 ARG A 985 -13.067 1.533 -5.774 1.00 0.00 H new ATOM 0 HD2 ARG A 985 -13.778 0.194 -8.414 1.00 0.00 H new ATOM 0 HD3 ARG A 985 -14.636 1.538 -7.687 1.00 0.00 H new ATOM 0 HE ARG A 985 -11.895 2.286 -7.946 1.00 0.00 H new ATOM 0 HH11 ARG A 985 -14.729 1.555 -9.920 1.00 0.00 H new ATOM 0 HH12 ARG A 985 -14.215 2.597 -11.251 1.00 0.00 H new ATOM 0 HH21 ARG A 985 -11.243 3.623 -9.662 1.00 0.00 H new ATOM 0 HH22 ARG A 985 -12.252 3.761 -11.105 1.00 0.00 H new ATOM 1384 N ILE A 986 -13.138 -1.060 -3.639 1.00 0.00 N ATOM 1385 CA ILE A 986 -14.157 -1.899 -3.015 1.00 0.00 C ATOM 1386 C ILE A 986 -15.525 -1.684 -3.645 1.00 0.00 C ATOM 1387 O ILE A 986 -16.053 -0.572 -3.646 1.00 0.00 O ATOM 1388 CB ILE A 986 -14.272 -1.634 -1.505 1.00 0.00 C ATOM 1389 CG1 ILE A 986 -14.435 -0.135 -1.236 1.00 0.00 C ATOM 1390 CG2 ILE A 986 -13.061 -2.194 -0.777 1.00 0.00 C ATOM 1391 CD1 ILE A 986 -14.612 0.209 0.227 1.00 0.00 C ATOM 0 H ILE A 986 -13.113 -0.099 -3.299 1.00 0.00 H new ATOM 0 HA ILE A 986 -13.837 -2.928 -3.178 1.00 0.00 H new ATOM 0 HB ILE A 986 -15.159 -2.141 -1.125 1.00 0.00 H new ATOM 0 HG12 ILE A 986 -13.560 0.390 -1.620 1.00 0.00 H new ATOM 0 HG13 ILE A 986 -15.297 0.233 -1.793 1.00 0.00 H new ATOM 0 HG21 ILE A 986 -13.156 -1.999 0.291 1.00 0.00 H new ATOM 0 HG22 ILE A 986 -13.000 -3.269 -0.946 1.00 0.00 H new ATOM 0 HG23 ILE A 986 -12.157 -1.716 -1.154 1.00 0.00 H new ATOM 0 HD11 ILE A 986 -14.721 1.288 0.336 1.00 0.00 H new ATOM 0 HD12 ILE A 986 -15.503 -0.287 0.612 1.00 0.00 H new ATOM 0 HD13 ILE A 986 -13.740 -0.126 0.788 1.00 0.00 H new ATOM 1403 N THR A 987 -16.109 -2.761 -4.153 1.00 0.00 N ATOM 1404 CA THR A 987 -17.433 -2.692 -4.752 1.00 0.00 C ATOM 1405 C THR A 987 -18.470 -3.228 -3.786 1.00 0.00 C ATOM 1406 O THR A 987 -18.262 -4.257 -3.143 1.00 0.00 O ATOM 1407 CB THR A 987 -17.522 -3.461 -6.077 1.00 0.00 C ATOM 1408 OG1 THR A 987 -16.845 -4.718 -5.972 1.00 0.00 O ATOM 1409 CG2 THR A 987 -16.933 -2.637 -7.208 1.00 0.00 C ATOM 0 H THR A 987 -15.687 -3.690 -4.162 1.00 0.00 H new ATOM 0 HA THR A 987 -17.628 -1.642 -4.968 1.00 0.00 H new ATOM 0 HB THR A 987 -18.573 -3.651 -6.296 1.00 0.00 H new ATOM 0 HG1 THR A 987 -16.772 -5.126 -6.860 1.00 0.00 H new ATOM 0 HG21 THR A 987 -17.004 -3.196 -8.141 1.00 0.00 H new ATOM 0 HG22 THR A 987 -17.485 -1.702 -7.303 1.00 0.00 H new ATOM 0 HG23 THR A 987 -15.887 -2.420 -6.993 1.00 0.00 H new ATOM 1417 N TYR A 988 -19.577 -2.517 -3.673 1.00 0.00 N ATOM 1418 CA TYR A 988 -20.635 -2.920 -2.761 1.00 0.00 C ATOM 1419 C TYR A 988 -21.724 -3.709 -3.474 1.00 0.00 C ATOM 1420 O TYR A 988 -22.105 -3.395 -4.602 1.00 0.00 O ATOM 1421 CB TYR A 988 -21.234 -1.700 -2.056 1.00 0.00 C ATOM 1422 CG TYR A 988 -20.254 -0.979 -1.154 1.00 0.00 C ATOM 1423 CD1 TYR A 988 -19.078 -0.437 -1.659 1.00 0.00 C ATOM 1424 CD2 TYR A 988 -20.503 -0.848 0.207 1.00 0.00 C ATOM 1425 CE1 TYR A 988 -18.181 0.216 -0.835 1.00 0.00 C ATOM 1426 CE2 TYR A 988 -19.611 -0.195 1.036 1.00 0.00 C ATOM 1427 CZ TYR A 988 -18.451 0.334 0.510 1.00 0.00 C ATOM 1428 OH TYR A 988 -17.559 0.982 1.333 1.00 0.00 O ATOM 0 H TYR A 988 -19.768 -1.663 -4.197 1.00 0.00 H new ATOM 0 HA TYR A 988 -20.189 -3.575 -2.013 1.00 0.00 H new ATOM 0 HB2 TYR A 988 -21.605 -1.002 -2.807 1.00 0.00 H new ATOM 0 HB3 TYR A 988 -22.093 -2.018 -1.465 1.00 0.00 H new ATOM 0 HD1 TYR A 988 -18.861 -0.528 -2.713 1.00 0.00 H new ATOM 0 HD2 TYR A 988 -21.409 -1.263 0.624 1.00 0.00 H new ATOM 0 HE1 TYR A 988 -17.272 0.632 -1.244 1.00 0.00 H new ATOM 0 HE2 TYR A 988 -19.821 -0.099 2.091 1.00 0.00 H new ATOM 0 HH TYR A 988 -17.325 1.850 0.943 1.00 0.00 H new ATOM 1438 N SER A 989 -22.216 -4.738 -2.796 1.00 0.00 N ATOM 1439 CA SER A 989 -23.263 -5.594 -3.335 1.00 0.00 C ATOM 1440 C SER A 989 -24.086 -6.182 -2.197 1.00 0.00 C ATOM 1441 O SER A 989 -24.082 -7.392 -1.976 1.00 0.00 O ATOM 1442 CB SER A 989 -22.654 -6.715 -4.181 1.00 0.00 C ATOM 1443 OG SER A 989 -23.664 -7.546 -4.730 1.00 0.00 O ATOM 0 H SER A 989 -21.902 -5.001 -1.862 1.00 0.00 H new ATOM 0 HA SER A 989 -23.914 -4.995 -3.973 1.00 0.00 H new ATOM 0 HB2 SER A 989 -22.056 -6.285 -4.984 1.00 0.00 H new ATOM 0 HB3 SER A 989 -21.980 -7.313 -3.567 1.00 0.00 H new ATOM 0 HG SER A 989 -24.165 -7.974 -4.005 1.00 0.00 H new ATOM 1449 N CYS A 990 -24.773 -5.299 -1.470 1.00 0.00 N ATOM 1450 CA CYS A 990 -25.601 -5.687 -0.330 1.00 0.00 C ATOM 1451 C CYS A 990 -26.286 -7.031 -0.564 1.00 0.00 C ATOM 1452 O CYS A 990 -25.724 -8.086 -0.271 1.00 0.00 O ATOM 1453 CB CYS A 990 -26.654 -4.607 -0.061 1.00 0.00 C ATOM 1454 SG CYS A 990 -25.979 -2.920 0.085 1.00 0.00 S ATOM 0 H CYS A 990 -24.770 -4.296 -1.656 1.00 0.00 H new ATOM 0 HA CYS A 990 -24.949 -5.790 0.538 1.00 0.00 H new ATOM 0 HB2 CYS A 990 -27.388 -4.623 -0.867 1.00 0.00 H new ATOM 0 HB3 CYS A 990 -27.184 -4.854 0.859 1.00 0.00 H new ATOM 1459 N THR A 991 -27.501 -6.981 -1.089 1.00 0.00 N ATOM 1460 CA THR A 991 -28.266 -8.190 -1.365 1.00 0.00 C ATOM 1461 C THR A 991 -29.561 -7.858 -2.094 1.00 0.00 C ATOM 1462 O THR A 991 -29.972 -6.701 -2.152 1.00 0.00 O ATOM 1463 CB THR A 991 -28.599 -8.964 -0.076 1.00 0.00 C ATOM 1464 OG1 THR A 991 -29.279 -10.183 -0.396 1.00 0.00 O ATOM 1465 CG2 THR A 991 -29.467 -8.126 0.847 1.00 0.00 C ATOM 0 H THR A 991 -27.980 -6.114 -1.333 1.00 0.00 H new ATOM 0 HA THR A 991 -27.640 -8.820 -1.998 1.00 0.00 H new ATOM 0 HB THR A 991 -27.663 -9.193 0.434 1.00 0.00 H new ATOM 0 HG1 THR A 991 -29.485 -10.669 0.430 1.00 0.00 H new ATOM 0 HG21 THR A 991 -29.690 -8.693 1.751 1.00 0.00 H new ATOM 0 HG22 THR A 991 -28.937 -7.211 1.113 1.00 0.00 H new ATOM 0 HG23 THR A 991 -30.398 -7.872 0.340 1.00 0.00 H new ATOM 1473 N THR A 992 -30.194 -8.880 -2.651 1.00 0.00 N ATOM 1474 CA THR A 992 -31.442 -8.702 -3.383 1.00 0.00 C ATOM 1475 C THR A 992 -32.481 -7.950 -2.552 1.00 0.00 C ATOM 1476 O THR A 992 -33.261 -7.161 -3.086 1.00 0.00 O ATOM 1477 CB THR A 992 -32.030 -10.056 -3.816 1.00 0.00 C ATOM 1478 OG1 THR A 992 -33.225 -9.854 -4.579 1.00 0.00 O ATOM 1479 CG2 THR A 992 -32.340 -10.927 -2.605 1.00 0.00 C ATOM 0 H THR A 992 -29.864 -9.844 -2.610 1.00 0.00 H new ATOM 0 HA THR A 992 -31.204 -8.112 -4.268 1.00 0.00 H new ATOM 0 HB THR A 992 -31.288 -10.565 -4.431 1.00 0.00 H new ATOM 0 HG1 THR A 992 -33.590 -10.722 -4.851 1.00 0.00 H new ATOM 0 HG21 THR A 992 -32.755 -11.879 -2.938 1.00 0.00 H new ATOM 0 HG22 THR A 992 -31.424 -11.107 -2.042 1.00 0.00 H new ATOM 0 HG23 THR A 992 -33.064 -10.419 -1.967 1.00 0.00 H new ATOM 1487 N GLY A 993 -32.495 -8.210 -1.248 1.00 0.00 N ATOM 1488 CA GLY A 993 -33.454 -7.562 -0.368 1.00 0.00 C ATOM 1489 C GLY A 993 -33.281 -6.054 -0.289 1.00 0.00 C ATOM 1490 O GLY A 993 -34.230 -5.307 -0.525 1.00 0.00 O ATOM 0 H GLY A 993 -31.859 -8.858 -0.784 1.00 0.00 H new ATOM 0 HA2 GLY A 993 -34.463 -7.786 -0.715 1.00 0.00 H new ATOM 0 HA3 GLY A 993 -33.360 -7.984 0.633 1.00 0.00 H new ATOM 1494 N HIS A 994 -32.077 -5.605 0.059 1.00 0.00 N ATOM 1495 CA HIS A 994 -31.800 -4.179 0.184 1.00 0.00 C ATOM 1496 C HIS A 994 -31.049 -3.652 -1.036 1.00 0.00 C ATOM 1497 O HIS A 994 -30.112 -4.283 -1.524 1.00 0.00 O ATOM 1498 CB HIS A 994 -30.983 -3.918 1.450 1.00 0.00 C ATOM 1499 CG HIS A 994 -31.604 -4.480 2.691 1.00 0.00 C ATOM 1500 ND1 HIS A 994 -31.892 -5.821 2.847 1.00 0.00 N ATOM 1501 CD2 HIS A 994 -31.990 -3.879 3.842 1.00 0.00 C ATOM 1502 CE1 HIS A 994 -32.429 -6.018 4.038 1.00 0.00 C ATOM 1503 NE2 HIS A 994 -32.499 -4.857 4.661 1.00 0.00 N ATOM 0 H HIS A 994 -31.280 -6.209 0.259 1.00 0.00 H new ATOM 0 HA HIS A 994 -32.752 -3.653 0.249 1.00 0.00 H new ATOM 0 HB2 HIS A 994 -29.989 -4.347 1.325 1.00 0.00 H new ATOM 0 HB3 HIS A 994 -30.854 -2.843 1.573 1.00 0.00 H new ATOM 0 HD2 HIS A 994 -31.912 -2.827 4.073 1.00 0.00 H new ATOM 0 HE1 HIS A 994 -32.755 -6.968 4.434 1.00 0.00 H new ATOM 0 HE2 HIS A 994 -32.871 -4.710 5.599 1.00 0.00 H new ATOM 1512 N ARG A 995 -31.464 -2.485 -1.516 1.00 0.00 N ATOM 1513 CA ARG A 995 -30.833 -1.861 -2.672 1.00 0.00 C ATOM 1514 C ARG A 995 -29.732 -0.904 -2.228 1.00 0.00 C ATOM 1515 O ARG A 995 -29.831 -0.279 -1.174 1.00 0.00 O ATOM 1516 CB ARG A 995 -31.871 -1.102 -3.500 1.00 0.00 C ATOM 1517 CG ARG A 995 -32.588 -0.014 -2.717 1.00 0.00 C ATOM 1518 CD ARG A 995 -33.573 0.748 -3.589 1.00 0.00 C ATOM 1519 NE ARG A 995 -34.269 1.793 -2.843 1.00 0.00 N ATOM 1520 CZ ARG A 995 -35.180 2.601 -3.379 1.00 0.00 C ATOM 1521 NH1 ARG A 995 -35.504 2.486 -4.659 1.00 0.00 N ATOM 1522 NH2 ARG A 995 -35.767 3.526 -2.633 1.00 0.00 N ATOM 0 H ARG A 995 -32.238 -1.951 -1.120 1.00 0.00 H new ATOM 0 HA ARG A 995 -30.393 -2.647 -3.286 1.00 0.00 H new ATOM 0 HB2 ARG A 995 -31.379 -0.654 -4.364 1.00 0.00 H new ATOM 0 HB3 ARG A 995 -32.607 -1.809 -3.883 1.00 0.00 H new ATOM 0 HG2 ARG A 995 -33.117 -0.460 -1.875 1.00 0.00 H new ATOM 0 HG3 ARG A 995 -31.856 0.679 -2.303 1.00 0.00 H new ATOM 0 HD2 ARG A 995 -33.043 1.195 -4.430 1.00 0.00 H new ATOM 0 HD3 ARG A 995 -34.302 0.053 -4.005 1.00 0.00 H new ATOM 0 HE ARG A 995 -34.044 1.910 -1.855 1.00 0.00 H new ATOM 0 HH11 ARG A 995 -35.054 1.776 -5.237 1.00 0.00 H new ATOM 0 HH12 ARG A 995 -36.203 3.107 -5.066 1.00 0.00 H new ATOM 0 HH21 ARG A 995 -35.520 3.619 -1.648 1.00 0.00 H new ATOM 0 HH22 ARG A 995 -36.465 4.145 -3.044 1.00 0.00 H new ATOM 1536 N LEU A 996 -28.682 -0.803 -3.035 1.00 0.00 N ATOM 1537 CA LEU A 996 -27.560 0.077 -2.727 1.00 0.00 C ATOM 1538 C LEU A 996 -27.957 1.542 -2.918 1.00 0.00 C ATOM 1539 O LEU A 996 -28.538 1.908 -3.940 1.00 0.00 O ATOM 1540 CB LEU A 996 -26.360 -0.276 -3.611 1.00 0.00 C ATOM 1541 CG LEU A 996 -25.050 0.428 -3.267 1.00 0.00 C ATOM 1542 CD1 LEU A 996 -23.866 -0.351 -3.816 1.00 0.00 C ATOM 1543 CD2 LEU A 996 -25.059 1.842 -3.805 1.00 0.00 C ATOM 0 H LEU A 996 -28.584 -1.320 -3.909 1.00 0.00 H new ATOM 0 HA LEU A 996 -27.280 -0.065 -1.683 1.00 0.00 H new ATOM 0 HB2 LEU A 996 -26.197 -1.352 -3.556 1.00 0.00 H new ATOM 0 HB3 LEU A 996 -26.614 -0.044 -4.645 1.00 0.00 H new ATOM 0 HG LEU A 996 -24.952 0.473 -2.182 1.00 0.00 H new ATOM 0 HD11 LEU A 996 -22.941 0.166 -3.561 1.00 0.00 H new ATOM 0 HD12 LEU A 996 -23.855 -1.350 -3.381 1.00 0.00 H new ATOM 0 HD13 LEU A 996 -23.952 -0.428 -4.900 1.00 0.00 H new ATOM 0 HD21 LEU A 996 -24.119 2.333 -3.553 1.00 0.00 H new ATOM 0 HD22 LEU A 996 -25.177 1.818 -4.888 1.00 0.00 H new ATOM 0 HD23 LEU A 996 -25.887 2.395 -3.362 1.00 0.00 H new ATOM 1555 N ILE A 997 -27.636 2.375 -1.932 1.00 0.00 N ATOM 1556 CA ILE A 997 -27.951 3.800 -1.992 1.00 0.00 C ATOM 1557 C ILE A 997 -26.686 4.642 -2.130 1.00 0.00 C ATOM 1558 O ILE A 997 -25.714 4.447 -1.402 1.00 0.00 O ATOM 1559 CB ILE A 997 -28.741 4.265 -0.744 1.00 0.00 C ATOM 1560 CG1 ILE A 997 -30.208 3.858 -0.843 1.00 0.00 C ATOM 1561 CG2 ILE A 997 -28.637 5.762 -0.558 1.00 0.00 C ATOM 1562 CD1 ILE A 997 -30.440 2.394 -0.597 1.00 0.00 C ATOM 0 H ILE A 997 -27.156 2.087 -1.079 1.00 0.00 H new ATOM 0 HA ILE A 997 -28.574 3.944 -2.874 1.00 0.00 H new ATOM 0 HB ILE A 997 -28.298 3.775 0.123 1.00 0.00 H new ATOM 0 HG12 ILE A 997 -30.787 4.436 -0.123 1.00 0.00 H new ATOM 0 HG13 ILE A 997 -30.583 4.116 -1.833 1.00 0.00 H new ATOM 0 HG21 ILE A 997 -29.202 6.059 0.326 1.00 0.00 H new ATOM 0 HG22 ILE A 997 -27.591 6.041 -0.431 1.00 0.00 H new ATOM 0 HG23 ILE A 997 -29.043 6.267 -1.435 1.00 0.00 H new ATOM 0 HD11 ILE A 997 -31.504 2.175 -0.683 1.00 0.00 H new ATOM 0 HD12 ILE A 997 -29.888 1.809 -1.333 1.00 0.00 H new ATOM 0 HD13 ILE A 997 -30.096 2.134 0.404 1.00 0.00 H new ATOM 1574 N GLY A 998 -26.715 5.590 -3.065 1.00 0.00 N ATOM 1575 CA GLY A 998 -25.576 6.464 -3.285 1.00 0.00 C ATOM 1576 C GLY A 998 -24.371 5.743 -3.859 1.00 0.00 C ATOM 1577 O GLY A 998 -23.970 4.693 -3.360 1.00 0.00 O ATOM 0 H GLY A 998 -27.512 5.768 -3.676 1.00 0.00 H new ATOM 0 HA2 GLY A 998 -25.868 7.267 -3.962 1.00 0.00 H new ATOM 0 HA3 GLY A 998 -25.296 6.930 -2.340 1.00 0.00 H new ATOM 1581 N HIS A 999 -23.789 6.321 -4.906 1.00 0.00 N ATOM 1582 CA HIS A 999 -22.614 5.750 -5.558 1.00 0.00 C ATOM 1583 C HIS A 999 -22.796 4.256 -5.830 1.00 0.00 C ATOM 1584 O HIS A 999 -23.874 3.818 -6.232 1.00 0.00 O ATOM 1585 CB HIS A 999 -21.375 5.988 -4.695 1.00 0.00 C ATOM 1586 CG HIS A 999 -21.080 7.436 -4.457 1.00 0.00 C ATOM 1587 ND1 HIS A 999 -20.953 8.357 -5.475 1.00 0.00 N ATOM 1588 CD2 HIS A 999 -20.881 8.119 -3.306 1.00 0.00 C ATOM 1589 CE1 HIS A 999 -20.689 9.545 -4.960 1.00 0.00 C ATOM 1590 NE2 HIS A 999 -20.641 9.428 -3.646 1.00 0.00 N ATOM 0 H HIS A 999 -24.115 7.192 -5.324 1.00 0.00 H new ATOM 0 HA HIS A 999 -22.483 6.246 -6.520 1.00 0.00 H new ATOM 0 HB2 HIS A 999 -21.510 5.491 -3.735 1.00 0.00 H new ATOM 0 HB3 HIS A 999 -20.513 5.524 -5.175 1.00 0.00 H new ATOM 0 HD1 HIS A 999 -21.048 8.153 -6.470 1.00 0.00 H new ATOM 0 HD2 HIS A 999 -20.906 7.711 -2.306 1.00 0.00 H new ATOM 0 HE1 HIS A 999 -20.538 10.457 -5.519 1.00 0.00 H new ATOM 1599 N SER A1000 -21.733 3.482 -5.609 1.00 0.00 N ATOM 1600 CA SER A1000 -21.771 2.040 -5.832 1.00 0.00 C ATOM 1601 C SER A1000 -20.446 1.394 -5.432 1.00 0.00 C ATOM 1602 O SER A1000 -20.411 0.239 -5.006 1.00 0.00 O ATOM 1603 CB SER A1000 -22.072 1.733 -7.300 1.00 0.00 C ATOM 1604 OG SER A1000 -22.118 0.336 -7.532 1.00 0.00 O ATOM 0 H SER A1000 -20.835 3.832 -5.275 1.00 0.00 H new ATOM 0 HA SER A1000 -22.565 1.625 -5.211 1.00 0.00 H new ATOM 0 HB2 SER A1000 -23.025 2.182 -7.580 1.00 0.00 H new ATOM 0 HB3 SER A1000 -21.308 2.185 -7.933 1.00 0.00 H new ATOM 0 HG SER A1000 -22.313 0.168 -8.477 1.00 0.00 H new ATOM 1610 N SER A1001 -19.359 2.147 -5.580 1.00 0.00 N ATOM 1611 CA SER A1001 -18.030 1.648 -5.244 1.00 0.00 C ATOM 1612 C SER A1001 -17.086 2.799 -4.897 1.00 0.00 C ATOM 1613 O SER A1001 -17.409 3.966 -5.116 1.00 0.00 O ATOM 1614 CB SER A1001 -17.460 0.842 -6.414 1.00 0.00 C ATOM 1615 OG SER A1001 -16.172 0.339 -6.109 1.00 0.00 O ATOM 0 H SER A1001 -19.373 3.105 -5.930 1.00 0.00 H new ATOM 0 HA SER A1001 -18.120 1.001 -4.371 1.00 0.00 H new ATOM 0 HB2 SER A1001 -18.130 0.015 -6.650 1.00 0.00 H new ATOM 0 HB3 SER A1001 -17.406 1.472 -7.302 1.00 0.00 H new ATOM 0 HG SER A1001 -16.155 0.024 -5.181 1.00 0.00 H new ATOM 1621 N ALA A1002 -15.921 2.459 -4.351 1.00 0.00 N ATOM 1622 CA ALA A1002 -14.928 3.460 -3.970 1.00 0.00 C ATOM 1623 C ALA A1002 -13.518 2.884 -4.033 1.00 0.00 C ATOM 1624 O ALA A1002 -13.267 1.780 -3.553 1.00 0.00 O ATOM 1625 CB ALA A1002 -15.222 3.988 -2.574 1.00 0.00 C ATOM 0 H ALA A1002 -15.641 1.496 -4.162 1.00 0.00 H new ATOM 0 HA ALA A1002 -14.988 4.285 -4.679 1.00 0.00 H new ATOM 0 HB1 ALA A1002 -14.475 4.733 -2.302 1.00 0.00 H new ATOM 0 HB2 ALA A1002 -16.212 4.444 -2.559 1.00 0.00 H new ATOM 0 HB3 ALA A1002 -15.191 3.165 -1.860 1.00 0.00 H new ATOM 1631 N GLU A1003 -12.603 3.636 -4.638 1.00 0.00 N ATOM 1632 CA GLU A1003 -11.216 3.195 -4.780 1.00 0.00 C ATOM 1633 C GLU A1003 -10.322 3.752 -3.681 1.00 0.00 C ATOM 1634 O GLU A1003 -10.355 4.946 -3.382 1.00 0.00 O ATOM 1635 CB GLU A1003 -10.661 3.623 -6.139 1.00 0.00 C ATOM 1636 CG GLU A1003 -10.867 5.098 -6.436 1.00 0.00 C ATOM 1637 CD GLU A1003 -10.352 5.502 -7.805 1.00 0.00 C ATOM 1638 OE1 GLU A1003 -9.827 4.627 -8.525 1.00 0.00 O ATOM 1639 OE2 GLU A1003 -10.474 6.694 -8.156 1.00 0.00 O ATOM 0 H GLU A1003 -12.796 4.554 -5.038 1.00 0.00 H new ATOM 0 HA GLU A1003 -11.218 2.108 -4.700 1.00 0.00 H new ATOM 0 HB2 GLU A1003 -9.595 3.398 -6.175 1.00 0.00 H new ATOM 0 HB3 GLU A1003 -11.138 3.032 -6.921 1.00 0.00 H new ATOM 0 HG2 GLU A1003 -11.930 5.332 -6.369 1.00 0.00 H new ATOM 0 HG3 GLU A1003 -10.362 5.691 -5.674 1.00 0.00 H new ATOM 1646 N CYS A1004 -9.496 2.882 -3.108 1.00 0.00 N ATOM 1647 CA CYS A1004 -8.560 3.293 -2.068 1.00 0.00 C ATOM 1648 C CYS A1004 -7.389 4.023 -2.704 1.00 0.00 C ATOM 1649 O CYS A1004 -6.740 3.493 -3.607 1.00 0.00 O ATOM 1650 CB CYS A1004 -8.057 2.076 -1.288 1.00 0.00 C ATOM 1651 SG CYS A1004 -6.791 2.460 -0.032 1.00 0.00 S ATOM 0 H CYS A1004 -9.456 1.891 -3.346 1.00 0.00 H new ATOM 0 HA CYS A1004 -9.071 3.959 -1.373 1.00 0.00 H new ATOM 0 HB2 CYS A1004 -8.905 1.597 -0.798 1.00 0.00 H new ATOM 0 HB3 CYS A1004 -7.646 1.352 -1.992 1.00 0.00 H new ATOM 1656 N ILE A1005 -7.122 5.243 -2.254 1.00 0.00 N ATOM 1657 CA ILE A1005 -6.030 6.018 -2.821 1.00 0.00 C ATOM 1658 C ILE A1005 -5.197 6.708 -1.746 1.00 0.00 C ATOM 1659 O ILE A1005 -5.138 6.258 -0.600 1.00 0.00 O ATOM 1660 CB ILE A1005 -6.559 7.076 -3.809 1.00 0.00 C ATOM 1661 CG1 ILE A1005 -7.515 8.033 -3.096 1.00 0.00 C ATOM 1662 CG2 ILE A1005 -7.247 6.400 -4.989 1.00 0.00 C ATOM 1663 CD1 ILE A1005 -7.991 9.179 -3.963 1.00 0.00 C ATOM 0 H ILE A1005 -7.639 5.710 -1.509 1.00 0.00 H new ATOM 0 HA ILE A1005 -5.391 5.311 -3.350 1.00 0.00 H new ATOM 0 HB ILE A1005 -5.718 7.654 -4.191 1.00 0.00 H new ATOM 0 HG12 ILE A1005 -8.381 7.472 -2.744 1.00 0.00 H new ATOM 0 HG13 ILE A1005 -7.018 8.438 -2.215 1.00 0.00 H new ATOM 0 HG21 ILE A1005 -7.616 7.159 -5.679 1.00 0.00 H new ATOM 0 HG22 ILE A1005 -6.535 5.756 -5.505 1.00 0.00 H new ATOM 0 HG23 ILE A1005 -8.083 5.801 -4.628 1.00 0.00 H new ATOM 0 HD11 ILE A1005 -8.665 9.814 -3.388 1.00 0.00 H new ATOM 0 HD12 ILE A1005 -7.134 9.765 -4.294 1.00 0.00 H new ATOM 0 HD13 ILE A1005 -8.517 8.784 -4.832 1.00 0.00 H new ATOM 1675 N LEU A1006 -4.546 7.802 -2.133 1.00 0.00 N ATOM 1676 CA LEU A1006 -3.698 8.556 -1.221 1.00 0.00 C ATOM 1677 C LEU A1006 -3.638 10.027 -1.620 1.00 0.00 C ATOM 1678 O LEU A1006 -3.539 10.356 -2.803 1.00 0.00 O ATOM 1679 CB LEU A1006 -2.285 7.964 -1.220 1.00 0.00 C ATOM 1680 CG LEU A1006 -1.262 8.707 -0.360 1.00 0.00 C ATOM 1681 CD1 LEU A1006 -1.640 8.627 1.109 1.00 0.00 C ATOM 1682 CD2 LEU A1006 0.131 8.138 -0.581 1.00 0.00 C ATOM 0 H LEU A1006 -4.592 8.185 -3.077 1.00 0.00 H new ATOM 0 HA LEU A1006 -4.125 8.488 -0.221 1.00 0.00 H new ATOM 0 HB2 LEU A1006 -2.342 6.932 -0.875 1.00 0.00 H new ATOM 0 HB3 LEU A1006 -1.920 7.937 -2.247 1.00 0.00 H new ATOM 0 HG LEU A1006 -1.260 9.755 -0.658 1.00 0.00 H new ATOM 0 HD11 LEU A1006 -0.900 9.162 1.705 1.00 0.00 H new ATOM 0 HD12 LEU A1006 -2.621 9.079 1.257 1.00 0.00 H new ATOM 0 HD13 LEU A1006 -1.671 7.583 1.420 1.00 0.00 H new ATOM 0 HD21 LEU A1006 0.847 8.678 0.038 1.00 0.00 H new ATOM 0 HD22 LEU A1006 0.140 7.082 -0.310 1.00 0.00 H new ATOM 0 HD23 LEU A1006 0.406 8.245 -1.630 1.00 0.00 H new ATOM 1694 N SER A1007 -3.696 10.908 -0.627 1.00 0.00 N ATOM 1695 CA SER A1007 -3.644 12.345 -0.871 1.00 0.00 C ATOM 1696 C SER A1007 -2.199 12.832 -0.900 1.00 0.00 C ATOM 1697 O SER A1007 -1.792 13.551 -1.812 1.00 0.00 O ATOM 1698 CB SER A1007 -4.427 13.093 0.210 1.00 0.00 C ATOM 1699 OG SER A1007 -4.398 14.492 -0.015 1.00 0.00 O ATOM 0 H SER A1007 -3.779 10.651 0.357 1.00 0.00 H new ATOM 0 HA SER A1007 -4.098 12.546 -1.841 1.00 0.00 H new ATOM 0 HB2 SER A1007 -5.460 12.745 0.222 1.00 0.00 H new ATOM 0 HB3 SER A1007 -4.004 12.870 1.190 1.00 0.00 H new ATOM 0 HG SER A1007 -4.907 14.947 0.688 1.00 0.00 H new ATOM 1705 N GLY A1008 -1.430 12.425 0.103 1.00 0.00 N ATOM 1706 CA GLY A1008 -0.034 12.816 0.183 1.00 0.00 C ATOM 1707 C GLY A1008 0.600 12.402 1.494 1.00 0.00 C ATOM 1708 O GLY A1008 1.626 12.950 1.898 1.00 0.00 O ATOM 0 H GLY A1008 -1.750 11.828 0.866 1.00 0.00 H new ATOM 0 HA2 GLY A1008 0.516 12.365 -0.643 1.00 0.00 H new ATOM 0 HA3 GLY A1008 0.046 13.897 0.068 1.00 0.00 H new ATOM 1712 N ASN A1009 -0.020 11.426 2.154 1.00 0.00 N ATOM 1713 CA ASN A1009 0.467 10.915 3.432 1.00 0.00 C ATOM 1714 C ASN A1009 -0.500 9.899 4.009 1.00 0.00 C ATOM 1715 O ASN A1009 -0.119 8.781 4.359 1.00 0.00 O ATOM 1716 CB ASN A1009 0.641 12.052 4.442 1.00 0.00 C ATOM 1717 CG ASN A1009 -0.591 12.930 4.554 1.00 0.00 C ATOM 1718 OD1 ASN A1009 -1.030 13.532 3.574 1.00 0.00 O ATOM 1719 ND2 ASN A1009 -1.152 13.011 5.754 1.00 0.00 N ATOM 0 H ASN A1009 -0.869 10.970 1.820 1.00 0.00 H new ATOM 0 HA ASN A1009 1.430 10.440 3.247 1.00 0.00 H new ATOM 0 HB2 ASN A1009 0.872 11.631 5.420 1.00 0.00 H new ATOM 0 HB3 ASN A1009 1.493 12.665 4.149 1.00 0.00 H new ATOM 0 HD21 ASN A1009 -1.981 13.590 5.892 1.00 0.00 H new ATOM 0 HD22 ASN A1009 -0.754 12.495 6.539 1.00 0.00 H new ATOM 1726 N THR A1010 -1.753 10.312 4.126 1.00 0.00 N ATOM 1727 CA THR A1010 -2.788 9.463 4.683 1.00 0.00 C ATOM 1728 C THR A1010 -3.618 8.799 3.590 1.00 0.00 C ATOM 1729 O THR A1010 -4.094 9.463 2.669 1.00 0.00 O ATOM 1730 CB THR A1010 -3.714 10.280 5.596 1.00 0.00 C ATOM 1731 OG1 THR A1010 -2.934 11.095 6.479 1.00 0.00 O ATOM 1732 CG2 THR A1010 -4.595 9.362 6.414 1.00 0.00 C ATOM 0 H THR A1010 -2.076 11.236 3.840 1.00 0.00 H new ATOM 0 HA THR A1010 -2.293 8.684 5.262 1.00 0.00 H new ATOM 0 HB THR A1010 -4.342 10.914 4.970 1.00 0.00 H new ATOM 0 HG1 THR A1010 -3.531 11.615 7.057 1.00 0.00 H new ATOM 0 HG21 THR A1010 -5.245 9.958 7.055 1.00 0.00 H new ATOM 0 HG22 THR A1010 -5.204 8.752 5.747 1.00 0.00 H new ATOM 0 HG23 THR A1010 -3.972 8.714 7.030 1.00 0.00 H new ATOM 1740 N ALA A1011 -3.793 7.486 3.703 1.00 0.00 N ATOM 1741 CA ALA A1011 -4.573 6.733 2.726 1.00 0.00 C ATOM 1742 C ALA A1011 -6.063 6.862 3.018 1.00 0.00 C ATOM 1743 O ALA A1011 -6.488 6.751 4.168 1.00 0.00 O ATOM 1744 CB ALA A1011 -4.155 5.270 2.732 1.00 0.00 C ATOM 0 H ALA A1011 -3.406 6.922 4.460 1.00 0.00 H new ATOM 0 HA ALA A1011 -4.380 7.146 1.736 1.00 0.00 H new ATOM 0 HB1 ALA A1011 -4.745 4.720 1.999 1.00 0.00 H new ATOM 0 HB2 ALA A1011 -3.098 5.193 2.479 1.00 0.00 H new ATOM 0 HB3 ALA A1011 -4.323 4.848 3.723 1.00 0.00 H new ATOM 1750 N HIS A1012 -6.852 7.106 1.977 1.00 0.00 N ATOM 1751 CA HIS A1012 -8.295 7.256 2.145 1.00 0.00 C ATOM 1752 C HIS A1012 -9.042 7.012 0.838 1.00 0.00 C ATOM 1753 O HIS A1012 -8.534 7.302 -0.246 1.00 0.00 O ATOM 1754 CB HIS A1012 -8.624 8.650 2.688 1.00 0.00 C ATOM 1755 CG HIS A1012 -8.121 9.769 1.830 1.00 0.00 C ATOM 1756 ND1 HIS A1012 -8.506 9.945 0.517 1.00 0.00 N ATOM 1757 CD2 HIS A1012 -7.262 10.779 2.106 1.00 0.00 C ATOM 1758 CE1 HIS A1012 -7.905 11.013 0.024 1.00 0.00 C ATOM 1759 NE2 HIS A1012 -7.145 11.537 0.968 1.00 0.00 N ATOM 0 H HIS A1012 -6.522 7.204 1.017 1.00 0.00 H new ATOM 0 HA HIS A1012 -8.624 6.504 2.862 1.00 0.00 H new ATOM 0 HB2 HIS A1012 -9.705 8.743 2.792 1.00 0.00 H new ATOM 0 HB3 HIS A1012 -8.198 8.750 3.686 1.00 0.00 H new ATOM 0 HD1 HIS A1012 -9.153 9.344 0.007 1.00 0.00 H new ATOM 0 HD2 HIS A1012 -6.762 10.955 3.047 1.00 0.00 H new ATOM 0 HE1 HIS A1012 -8.016 11.393 -0.981 1.00 0.00 H new ATOM 1768 N TRP A1013 -10.254 6.472 0.952 1.00 0.00 N ATOM 1769 CA TRP A1013 -11.079 6.186 -0.215 1.00 0.00 C ATOM 1770 C TRP A1013 -11.536 7.478 -0.884 1.00 0.00 C ATOM 1771 O TRP A1013 -11.966 8.418 -0.215 1.00 0.00 O ATOM 1772 CB TRP A1013 -12.294 5.341 0.178 1.00 0.00 C ATOM 1773 CG TRP A1013 -11.933 4.094 0.926 1.00 0.00 C ATOM 1774 CD1 TRP A1013 -11.797 3.958 2.278 1.00 0.00 C ATOM 1775 CD2 TRP A1013 -11.635 2.813 0.361 1.00 0.00 C ATOM 1776 NE1 TRP A1013 -11.452 2.665 2.588 1.00 0.00 N ATOM 1777 CE2 TRP A1013 -11.341 1.945 1.429 1.00 0.00 C ATOM 1778 CE3 TRP A1013 -11.593 2.314 -0.942 1.00 0.00 C ATOM 1779 CZ2 TRP A1013 -11.008 0.608 1.233 1.00 0.00 C ATOM 1780 CZ3 TRP A1013 -11.260 0.987 -1.136 1.00 0.00 C ATOM 1781 CH2 TRP A1013 -10.971 0.148 -0.054 1.00 0.00 C ATOM 0 H TRP A1013 -10.685 6.224 1.843 1.00 0.00 H new ATOM 0 HA TRP A1013 -10.474 5.622 -0.925 1.00 0.00 H new ATOM 0 HB2 TRP A1013 -12.963 5.944 0.792 1.00 0.00 H new ATOM 0 HB3 TRP A1013 -12.845 5.069 -0.722 1.00 0.00 H new ATOM 0 HD1 TRP A1013 -11.940 4.751 2.998 1.00 0.00 H new ATOM 0 HE1 TRP A1013 -11.303 2.301 3.529 1.00 0.00 H new ATOM 0 HE3 TRP A1013 -11.817 2.953 -1.783 1.00 0.00 H new ATOM 0 HZ2 TRP A1013 -10.787 -0.042 2.067 1.00 0.00 H new ATOM 0 HZ3 TRP A1013 -11.222 0.591 -2.140 1.00 0.00 H new ATOM 0 HH2 TRP A1013 -10.713 -0.884 -0.239 1.00 0.00 H new ATOM 1792 N SER A1014 -11.436 7.519 -2.208 1.00 0.00 N ATOM 1793 CA SER A1014 -11.831 8.696 -2.974 1.00 0.00 C ATOM 1794 C SER A1014 -13.341 8.909 -2.931 1.00 0.00 C ATOM 1795 O SER A1014 -13.837 9.960 -3.339 1.00 0.00 O ATOM 1796 CB SER A1014 -11.372 8.563 -4.426 1.00 0.00 C ATOM 1797 OG SER A1014 -11.996 7.459 -5.057 1.00 0.00 O ATOM 0 H SER A1014 -11.083 6.748 -2.775 1.00 0.00 H new ATOM 0 HA SER A1014 -11.350 9.562 -2.519 1.00 0.00 H new ATOM 0 HB2 SER A1014 -11.607 9.478 -4.970 1.00 0.00 H new ATOM 0 HB3 SER A1014 -10.289 8.441 -4.459 1.00 0.00 H new ATOM 0 HG SER A1014 -11.953 7.571 -6.030 1.00 0.00 H new ATOM 1803 N THR A1015 -14.075 7.908 -2.452 1.00 0.00 N ATOM 1804 CA THR A1015 -15.529 8.003 -2.385 1.00 0.00 C ATOM 1805 C THR A1015 -16.072 7.376 -1.105 1.00 0.00 C ATOM 1806 O THR A1015 -15.609 6.321 -0.671 1.00 0.00 O ATOM 1807 CB THR A1015 -16.188 7.309 -3.588 1.00 0.00 C ATOM 1808 OG1 THR A1015 -15.500 7.659 -4.795 1.00 0.00 O ATOM 1809 CG2 THR A1015 -17.646 7.711 -3.708 1.00 0.00 C ATOM 0 H THR A1015 -13.690 7.029 -2.107 1.00 0.00 H new ATOM 0 HA THR A1015 -15.772 9.066 -2.397 1.00 0.00 H new ATOM 0 HB THR A1015 -16.130 6.232 -3.432 1.00 0.00 H new ATOM 0 HG1 THR A1015 -15.926 7.211 -5.556 1.00 0.00 H new ATOM 0 HG21 THR A1015 -18.093 7.208 -4.566 1.00 0.00 H new ATOM 0 HG22 THR A1015 -18.178 7.424 -2.801 1.00 0.00 H new ATOM 0 HG23 THR A1015 -17.716 8.790 -3.843 1.00 0.00 H new ATOM 1817 N LYS A1016 -17.060 8.035 -0.509 1.00 0.00 N ATOM 1818 CA LYS A1016 -17.676 7.551 0.719 1.00 0.00 C ATOM 1819 C LYS A1016 -18.500 6.289 0.460 1.00 0.00 C ATOM 1820 O LYS A1016 -19.099 6.137 -0.605 1.00 0.00 O ATOM 1821 CB LYS A1016 -18.559 8.636 1.334 1.00 0.00 C ATOM 1822 CG LYS A1016 -19.714 9.065 0.445 1.00 0.00 C ATOM 1823 CD LYS A1016 -20.562 10.130 1.119 1.00 0.00 C ATOM 1824 CE LYS A1016 -21.697 10.594 0.220 1.00 0.00 C ATOM 1825 NZ LYS A1016 -21.195 11.211 -1.038 1.00 0.00 N ATOM 0 H LYS A1016 -17.452 8.909 -0.859 1.00 0.00 H new ATOM 0 HA LYS A1016 -16.879 7.302 1.420 1.00 0.00 H new ATOM 0 HB2 LYS A1016 -18.958 8.273 2.281 1.00 0.00 H new ATOM 0 HB3 LYS A1016 -17.944 9.507 1.560 1.00 0.00 H new ATOM 0 HG2 LYS A1016 -19.326 9.449 -0.499 1.00 0.00 H new ATOM 0 HG3 LYS A1016 -20.333 8.200 0.207 1.00 0.00 H new ATOM 0 HD2 LYS A1016 -20.972 9.735 2.049 1.00 0.00 H new ATOM 0 HD3 LYS A1016 -19.935 10.982 1.383 1.00 0.00 H new ATOM 0 HE2 LYS A1016 -22.337 9.746 -0.023 1.00 0.00 H new ATOM 0 HE3 LYS A1016 -22.313 11.315 0.757 1.00 0.00 H new ATOM 0 HZ1 LYS A1016 -21.870 11.931 -1.365 1.00 0.00 H new ATOM 0 HZ2 LYS A1016 -20.272 11.656 -0.862 1.00 0.00 H new ATOM 0 HZ3 LYS A1016 -21.092 10.477 -1.767 1.00 0.00 H new ATOM 1839 N PRO A1017 -18.537 5.366 1.437 1.00 0.00 N ATOM 1840 CA PRO A1017 -19.285 4.108 1.317 1.00 0.00 C ATOM 1841 C PRO A1017 -20.794 4.331 1.209 1.00 0.00 C ATOM 1842 O PRO A1017 -21.363 5.134 1.948 1.00 0.00 O ATOM 1843 CB PRO A1017 -18.952 3.359 2.616 1.00 0.00 C ATOM 1844 CG PRO A1017 -17.742 4.038 3.163 1.00 0.00 C ATOM 1845 CD PRO A1017 -17.851 5.471 2.733 1.00 0.00 C ATOM 0 HA PRO A1017 -19.010 3.565 0.413 1.00 0.00 H new ATOM 0 HB2 PRO A1017 -19.782 3.406 3.321 1.00 0.00 H new ATOM 0 HB3 PRO A1017 -18.757 2.304 2.423 1.00 0.00 H new ATOM 0 HG2 PRO A1017 -17.705 3.957 4.249 1.00 0.00 H new ATOM 0 HG3 PRO A1017 -16.830 3.582 2.778 1.00 0.00 H new ATOM 0 HD2 PRO A1017 -18.421 6.066 3.446 1.00 0.00 H new ATOM 0 HD3 PRO A1017 -16.872 5.941 2.637 1.00 0.00 H new ATOM 1853 N PRO A1018 -21.463 3.617 0.284 1.00 0.00 N ATOM 1854 CA PRO A1018 -22.914 3.739 0.088 1.00 0.00 C ATOM 1855 C PRO A1018 -23.708 3.237 1.289 1.00 0.00 C ATOM 1856 O PRO A1018 -23.202 3.203 2.411 1.00 0.00 O ATOM 1857 CB PRO A1018 -23.185 2.860 -1.136 1.00 0.00 C ATOM 1858 CG PRO A1018 -22.053 1.896 -1.176 1.00 0.00 C ATOM 1859 CD PRO A1018 -20.862 2.635 -0.636 1.00 0.00 C ATOM 0 HA PRO A1018 -23.219 4.778 -0.040 1.00 0.00 H new ATOM 0 HB2 PRO A1018 -24.141 2.343 -1.047 1.00 0.00 H new ATOM 0 HB3 PRO A1018 -23.229 3.456 -2.048 1.00 0.00 H new ATOM 0 HG2 PRO A1018 -22.270 1.013 -0.574 1.00 0.00 H new ATOM 0 HG3 PRO A1018 -21.870 1.551 -2.194 1.00 0.00 H new ATOM 0 HD2 PRO A1018 -20.174 1.966 -0.118 1.00 0.00 H new ATOM 0 HD3 PRO A1018 -20.296 3.121 -1.430 1.00 0.00 H new ATOM 1867 N ILE A1019 -24.956 2.850 1.046 1.00 0.00 N ATOM 1868 CA ILE A1019 -25.821 2.350 2.111 1.00 0.00 C ATOM 1869 C ILE A1019 -26.704 1.206 1.645 1.00 0.00 C ATOM 1870 O ILE A1019 -27.284 1.258 0.561 1.00 0.00 O ATOM 1871 CB ILE A1019 -26.782 3.428 2.638 1.00 0.00 C ATOM 1872 CG1 ILE A1019 -26.047 4.689 3.070 1.00 0.00 C ATOM 1873 CG2 ILE A1019 -27.596 2.874 3.800 1.00 0.00 C ATOM 1874 CD1 ILE A1019 -27.001 5.778 3.501 1.00 0.00 C ATOM 0 H ILE A1019 -25.391 2.872 0.124 1.00 0.00 H new ATOM 0 HA ILE A1019 -25.131 2.024 2.890 1.00 0.00 H new ATOM 0 HB ILE A1019 -27.448 3.703 1.820 1.00 0.00 H new ATOM 0 HG12 ILE A1019 -25.372 4.452 3.892 1.00 0.00 H new ATOM 0 HG13 ILE A1019 -25.432 5.051 2.246 1.00 0.00 H new ATOM 0 HG21 ILE A1019 -28.275 3.643 4.168 1.00 0.00 H new ATOM 0 HG22 ILE A1019 -28.173 2.013 3.462 1.00 0.00 H new ATOM 0 HG23 ILE A1019 -26.924 2.569 4.602 1.00 0.00 H new ATOM 0 HD11 ILE A1019 -26.435 6.660 3.801 1.00 0.00 H new ATOM 0 HD12 ILE A1019 -27.659 6.035 2.671 1.00 0.00 H new ATOM 0 HD13 ILE A1019 -27.598 5.427 4.342 1.00 0.00 H new ATOM 1886 N CYS A1020 -26.867 0.212 2.501 1.00 0.00 N ATOM 1887 CA CYS A1020 -27.754 -0.893 2.201 1.00 0.00 C ATOM 1888 C CYS A1020 -29.115 -0.569 2.800 1.00 0.00 C ATOM 1889 O CYS A1020 -29.213 -0.270 3.990 1.00 0.00 O ATOM 1890 CB CYS A1020 -27.211 -2.205 2.768 1.00 0.00 C ATOM 1891 SG CYS A1020 -25.604 -2.706 2.069 1.00 0.00 S ATOM 0 H CYS A1020 -26.398 0.149 3.405 1.00 0.00 H new ATOM 0 HA CYS A1020 -27.835 -1.024 1.122 1.00 0.00 H new ATOM 0 HB2 CYS A1020 -27.111 -2.108 3.849 1.00 0.00 H new ATOM 0 HB3 CYS A1020 -27.938 -2.996 2.585 1.00 0.00 H new ATOM 1896 N GLN A1021 -30.158 -0.581 1.980 1.00 0.00 N ATOM 1897 CA GLN A1021 -31.484 -0.233 2.470 1.00 0.00 C ATOM 1898 C GLN A1021 -32.571 -1.040 1.769 1.00 0.00 C ATOM 1899 O GLN A1021 -32.573 -1.168 0.547 1.00 0.00 O ATOM 1900 CB GLN A1021 -31.720 1.265 2.255 1.00 0.00 C ATOM 1901 CG GLN A1021 -32.887 1.831 3.041 1.00 0.00 C ATOM 1902 CD GLN A1021 -33.172 3.280 2.699 1.00 0.00 C ATOM 1903 OE1 GLN A1021 -33.460 3.613 1.549 1.00 0.00 O ATOM 1904 NE2 GLN A1021 -33.095 4.151 3.699 1.00 0.00 N ATOM 0 H GLN A1021 -30.114 -0.823 0.990 1.00 0.00 H new ATOM 0 HA GLN A1021 -31.534 -0.471 3.533 1.00 0.00 H new ATOM 0 HB2 GLN A1021 -30.815 1.807 2.530 1.00 0.00 H new ATOM 0 HB3 GLN A1021 -31.890 1.446 1.194 1.00 0.00 H new ATOM 0 HG2 GLN A1021 -33.777 1.233 2.844 1.00 0.00 H new ATOM 0 HG3 GLN A1021 -32.677 1.748 4.107 1.00 0.00 H new ATOM 0 HE21 GLN A1021 -32.853 3.831 4.637 1.00 0.00 H new ATOM 0 HE22 GLN A1021 -33.278 5.140 3.529 1.00 0.00 H new ATOM 1913 N ARG A1022 -33.493 -1.581 2.562 1.00 0.00 N ATOM 1914 CA ARG A1022 -34.595 -2.381 2.039 1.00 0.00 C ATOM 1915 C ARG A1022 -35.279 -1.693 0.874 1.00 0.00 C ATOM 1916 O ARG A1022 -35.595 -0.504 0.928 1.00 0.00 O ATOM 1917 CB ARG A1022 -35.616 -2.664 3.143 1.00 0.00 C ATOM 1918 CG ARG A1022 -36.861 -3.388 2.654 1.00 0.00 C ATOM 1919 CD ARG A1022 -36.542 -4.798 2.180 1.00 0.00 C ATOM 1920 NE ARG A1022 -37.733 -5.498 1.708 1.00 0.00 N ATOM 1921 CZ ARG A1022 -37.720 -6.745 1.245 1.00 0.00 C ATOM 1922 NH1 ARG A1022 -36.583 -7.424 1.191 1.00 0.00 N ATOM 1923 NH2 ARG A1022 -38.846 -7.313 0.836 1.00 0.00 N ATOM 0 H ARG A1022 -33.497 -1.478 3.577 1.00 0.00 H new ATOM 0 HA ARG A1022 -34.177 -3.322 1.680 1.00 0.00 H new ATOM 0 HB2 ARG A1022 -35.141 -3.262 3.921 1.00 0.00 H new ATOM 0 HB3 ARG A1022 -35.912 -1.721 3.602 1.00 0.00 H new ATOM 0 HG2 ARG A1022 -37.596 -3.432 3.458 1.00 0.00 H new ATOM 0 HG3 ARG A1022 -37.314 -2.824 1.839 1.00 0.00 H new ATOM 0 HD2 ARG A1022 -35.806 -4.753 1.377 1.00 0.00 H new ATOM 0 HD3 ARG A1022 -36.090 -5.361 2.996 1.00 0.00 H new ATOM 0 HE ARG A1022 -38.625 -5.003 1.735 1.00 0.00 H new ATOM 0 HH11 ARG A1022 -35.715 -6.991 1.505 1.00 0.00 H new ATOM 0 HH12 ARG A1022 -36.576 -8.380 0.835 1.00 0.00 H new ATOM 0 HH21 ARG A1022 -39.723 -6.794 0.876 1.00 0.00 H new ATOM 0 HH22 ARG A1022 -38.835 -8.269 0.481 1.00 0.00 H new ATOM 1937 N ILE A1023 -35.504 -2.463 -0.180 1.00 0.00 N ATOM 1938 CA ILE A1023 -36.150 -1.956 -1.372 1.00 0.00 C ATOM 1939 C ILE A1023 -37.651 -1.785 -1.146 1.00 0.00 C ATOM 1940 O ILE A1023 -38.338 -2.729 -0.756 1.00 0.00 O ATOM 1941 CB ILE A1023 -35.923 -2.906 -2.559 1.00 0.00 C ATOM 1942 CG1 ILE A1023 -34.433 -3.219 -2.711 1.00 0.00 C ATOM 1943 CG2 ILE A1023 -36.466 -2.281 -3.826 1.00 0.00 C ATOM 1944 CD1 ILE A1023 -34.127 -4.195 -3.828 1.00 0.00 C ATOM 0 H ILE A1023 -35.245 -3.448 -0.229 1.00 0.00 H new ATOM 0 HA ILE A1023 -35.709 -0.985 -1.598 1.00 0.00 H new ATOM 0 HB ILE A1023 -36.452 -3.841 -2.373 1.00 0.00 H new ATOM 0 HG12 ILE A1023 -33.892 -2.290 -2.894 1.00 0.00 H new ATOM 0 HG13 ILE A1023 -34.059 -3.626 -1.772 1.00 0.00 H new ATOM 0 HG21 ILE A1023 -36.303 -2.958 -4.665 1.00 0.00 H new ATOM 0 HG22 ILE A1023 -37.534 -2.096 -3.712 1.00 0.00 H new ATOM 0 HG23 ILE A1023 -35.953 -1.338 -4.016 1.00 0.00 H new ATOM 0 HD11 ILE A1023 -33.052 -4.368 -3.875 1.00 0.00 H new ATOM 0 HD12 ILE A1023 -34.639 -5.138 -3.637 1.00 0.00 H new ATOM 0 HD13 ILE A1023 -34.470 -3.782 -4.776 1.00 0.00 H new ATOM 1956 N PRO A1024 -38.182 -0.574 -1.386 1.00 0.00 N ATOM 1957 CA PRO A1024 -39.609 -0.281 -1.204 1.00 0.00 C ATOM 1958 C PRO A1024 -40.492 -1.116 -2.125 1.00 0.00 C ATOM 1959 O PRO A1024 -40.043 -1.436 -3.246 1.00 0.00 O ATOM 1960 CB PRO A1024 -39.715 1.206 -1.563 1.00 0.00 C ATOM 1961 CG PRO A1024 -38.331 1.730 -1.399 1.00 0.00 C ATOM 1962 CD PRO A1024 -37.442 0.612 -1.846 1.00 0.00 C ATOM 1963 OXT PRO A1024 -41.627 -1.443 -1.719 1.00 0.00 O ATOM 0 HA PRO A1024 -39.949 -0.514 -0.195 1.00 0.00 H new ATOM 0 HB2 PRO A1024 -40.073 1.343 -2.583 1.00 0.00 H new ATOM 0 HB3 PRO A1024 -40.415 1.723 -0.907 1.00 0.00 H new ATOM 0 HG2 PRO A1024 -38.173 2.625 -2.001 1.00 0.00 H new ATOM 0 HG3 PRO A1024 -38.132 2.003 -0.363 1.00 0.00 H new ATOM 0 HD2 PRO A1024 -37.301 0.611 -2.927 1.00 0.00 H new ATOM 0 HD3 PRO A1024 -36.451 0.674 -1.396 1.00 0.00 H new