USER MOD reduce.3.24.130724 H: found=0, std=0, add=1002, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 1003 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 991 GLN : amide:sc= 0.00304 K(o=0.0068,f=-0.75) USER MOD Set 1.2: A1042 GLN :FLIP amide:sc= 0.00376 F(o=-1.2,f=0.0068) USER MOD Set 2.1: A 995 GLN : amide:sc= -0.0851 K(o=-0.31,f=-9.9!) USER MOD Set 2.2: A 999 LYS NZ :NH3+ -123:sc= -0.224 (180deg=-1.19) USER MOD Set 3.1: A 976 GLN : amide:sc= 0 X(o=0,f=0.089) USER MOD Set 3.2: A 979 SER OG : rot -130:sc= 0 USER MOD Set 4.1: A 962 GLN : amide:sc= 0.269 K(o=0.85,f=-1.5) USER MOD Set 4.2: A 992 SER OG : rot -109:sc= 0.581 USER MOD Set 5.1: A 936 GLN : amide:sc= -1.68! C(o=-3.3!,f=-8.8!) USER MOD Set 5.2: A 956 CYS SG : rot -22:sc= -1.64! USER MOD Set 6.1: A 949 GLN : amide:sc= 0.492 K(o=1.7,f=-10!) USER MOD Set 6.2: A 957 LYS NZ :NH3+ 142:sc= 1.23 (180deg=0) USER MOD Set 7.1: A 922 LYS NZ :NH3+ 139:sc= 0.897 (180deg=-1.57!) USER MOD Set 7.2: A 974 GLN : amide:sc= 1.12 K(o=2,f=-0.77) USER MOD Single : A 912 THR OG1 : rot -110:sc= -0.784 USER MOD Single : A 915 GLN : amide:sc= -0.13 X(o=-0.13,f=0.096) USER MOD Single : A 919 HIS : no HD1:sc= -0.235 X(o=-0.24,f=0.044) USER MOD Single : A 923 GLN : amide:sc= -1.36 K(o=-1.4,f=-6!) USER MOD Single : A 927 SER OG : rot 70:sc= 0 USER MOD Single : A 929 THR OG1 : rot 77:sc= 1.22 USER MOD Single : A 930 GLN : amide:sc= -1.63! C(o=-1.6!,f=-6.5!) USER MOD Single : A 931 THR OG1 : rot 82:sc= -0.71! USER MOD Single : A 937 HIS : no HD1:sc= -0.013 X(o=-0.013,f=0) USER MOD Single : A 940 SER OG : rot 180:sc= 0.0182 USER MOD Single : A 943 LYS NZ :NH3+ 149:sc= 0.441 (180deg=0.165) USER MOD Single : A 945 SER OG : rot 180:sc= 0 USER MOD Single : A 954 GLN :FLIP amide:sc= -0.0104 F(o=-1.2,f=-0.01) USER MOD Single : A 955 SER OG : rot 76:sc= 0.898 USER MOD Single : A 968 GLN :FLIP amide:sc= 0 F(o=-0.63,f=0) USER MOD Single : A 973 SER OG : rot 86:sc= 0.126 USER MOD Single : A 981 SER OG : rot 180:sc= 0 USER MOD Single : A 983 GLN : amide:sc= 0.388 K(o=0.39,f=-0.13) USER MOD Single : A 990 SER OG : rot 88:sc= 0.883 USER MOD Single : A1000 MET CE :methyl 155:sc= -2.06 (180deg=-4.03!) USER MOD Single : A1005 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A1007 SER OG : rot -82:sc= 0.458 USER MOD Single : A1010 THR OG1 : rot 2:sc= 0.658 USER MOD Single : A1012 GLN : amide:sc= -0.175 K(o=-0.18,f=-0.78) USER MOD Single : A1014 GLN :FLIP amide:sc= -0.0504 F(o=-0.67,f=-0.05) USER MOD Single : A1016 SER OG : rot 71:sc= 1.17 USER MOD Single : A1018 MET CE :methyl -164:sc= -0.126 (180deg=-0.64) USER MOD Single : A1019 GLN :FLIP amide:sc= 0 F(o=-0.58,f=0) USER MOD Single : A1021 SER OG : rot 180:sc= 0 USER MOD Single : A1022 GLN :FLIP amide:sc= 0 F(o=-0.7,f=0) USER MOD Single : A1023 CYS SG : rot 70:sc= 1.15 USER MOD Single : A1025 LYS NZ :NH3+ -170:sc= -0.0293 (180deg=-0.16) USER MOD Single : A1026 ASN : amide:sc= 1.12 K(o=1.1,f=-0.028) USER MOD Single : A1029 THR OG1 : rot 77:sc= 0.519 USER MOD Single : A1036 THR OG1 : rot 85:sc= 0.738 USER MOD Single : A1039 GLN : amide:sc= 1.14 K(o=1.1,f=-0.046) USER MOD Single : A1040 LYS NZ :NH3+ 162:sc= 0.0401 (180deg=0.00402) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 907 11.029 17.788 4.741 1.00 0.00 N ATOM 2 CA GLY A 907 12.459 17.839 4.355 1.00 0.00 C ATOM 3 C GLY A 907 13.109 16.475 4.403 1.00 0.00 C ATOM 4 O GLY A 907 14.031 16.245 5.186 1.00 0.00 O ATOM 0 HA2 GLY A 907 12.548 18.248 3.348 1.00 0.00 H new ATOM 0 HA3 GLY A 907 12.990 18.517 5.023 1.00 0.00 H new ATOM 10 N ILE A 908 12.625 15.565 3.574 1.00 0.00 N ATOM 11 CA ILE A 908 13.165 14.217 3.528 1.00 0.00 C ATOM 12 C ILE A 908 14.175 14.090 2.390 1.00 0.00 C ATOM 13 O ILE A 908 14.042 14.739 1.350 1.00 0.00 O ATOM 14 CB ILE A 908 12.040 13.163 3.362 1.00 0.00 C ATOM 15 CG1 ILE A 908 12.621 11.744 3.398 1.00 0.00 C ATOM 16 CG2 ILE A 908 11.267 13.396 2.069 1.00 0.00 C ATOM 17 CD1 ILE A 908 11.575 10.654 3.302 1.00 0.00 C ATOM 0 H ILE A 908 11.858 15.736 2.923 1.00 0.00 H new ATOM 0 HA ILE A 908 13.668 14.027 4.476 1.00 0.00 H new ATOM 0 HB ILE A 908 11.346 13.271 4.196 1.00 0.00 H new ATOM 0 HG12 ILE A 908 13.328 11.630 2.576 1.00 0.00 H new ATOM 0 HG13 ILE A 908 13.183 11.615 4.323 1.00 0.00 H new ATOM 0 HG21 ILE A 908 10.483 12.645 1.973 1.00 0.00 H new ATOM 0 HG22 ILE A 908 10.818 14.389 2.087 1.00 0.00 H new ATOM 0 HG23 ILE A 908 11.947 13.321 1.220 1.00 0.00 H new ATOM 0 HD11 ILE A 908 12.061 9.679 3.334 1.00 0.00 H new ATOM 0 HD12 ILE A 908 10.881 10.741 4.138 1.00 0.00 H new ATOM 0 HD13 ILE A 908 11.028 10.756 2.365 1.00 0.00 H new ATOM 29 N ASP A 909 15.199 13.279 2.599 1.00 0.00 N ATOM 30 CA ASP A 909 16.197 13.050 1.570 1.00 0.00 C ATOM 31 C ASP A 909 16.455 11.564 1.395 1.00 0.00 C ATOM 32 O ASP A 909 16.746 10.858 2.362 1.00 0.00 O ATOM 33 CB ASP A 909 17.504 13.762 1.911 1.00 0.00 C ATOM 34 CG ASP A 909 18.520 13.645 0.795 1.00 0.00 C ATOM 35 OD1 ASP A 909 18.372 14.356 -0.222 1.00 0.00 O ATOM 36 OD2 ASP A 909 19.476 12.855 0.928 1.00 0.00 O ATOM 0 H ASP A 909 15.360 12.771 3.468 1.00 0.00 H new ATOM 0 HA ASP A 909 15.810 13.456 0.635 1.00 0.00 H new ATOM 0 HB2 ASP A 909 17.303 14.815 2.109 1.00 0.00 H new ATOM 0 HB3 ASP A 909 17.920 13.339 2.826 1.00 0.00 H new ATOM 41 N PRO A 910 16.321 11.064 0.163 1.00 0.00 N ATOM 42 CA PRO A 910 16.633 9.680 -0.161 1.00 0.00 C ATOM 43 C PRO A 910 18.138 9.451 -0.232 1.00 0.00 C ATOM 44 O PRO A 910 18.744 9.574 -1.298 1.00 0.00 O ATOM 45 CB PRO A 910 15.991 9.460 -1.541 1.00 0.00 C ATOM 46 CG PRO A 910 15.233 10.714 -1.850 1.00 0.00 C ATOM 47 CD PRO A 910 15.844 11.798 -1.012 1.00 0.00 C ATOM 0 HA PRO A 910 16.260 8.990 0.596 1.00 0.00 H new ATOM 0 HB2 PRO A 910 16.751 9.267 -2.298 1.00 0.00 H new ATOM 0 HB3 PRO A 910 15.327 8.596 -1.529 1.00 0.00 H new ATOM 0 HG2 PRO A 910 15.302 10.958 -2.910 1.00 0.00 H new ATOM 0 HG3 PRO A 910 14.175 10.595 -1.619 1.00 0.00 H new ATOM 0 HD2 PRO A 910 16.658 12.303 -1.533 1.00 0.00 H new ATOM 0 HD3 PRO A 910 15.115 12.563 -0.744 1.00 0.00 H new ATOM 55 N PHE A 911 18.744 9.174 0.916 1.00 0.00 N ATOM 56 CA PHE A 911 20.171 8.876 0.977 1.00 0.00 C ATOM 57 C PHE A 911 20.487 7.670 0.106 1.00 0.00 C ATOM 58 O PHE A 911 21.234 7.765 -0.867 1.00 0.00 O ATOM 59 CB PHE A 911 20.610 8.606 2.419 1.00 0.00 C ATOM 60 CG PHE A 911 20.470 9.788 3.334 1.00 0.00 C ATOM 61 CD1 PHE A 911 21.491 10.717 3.445 1.00 0.00 C ATOM 62 CD2 PHE A 911 19.321 9.967 4.088 1.00 0.00 C ATOM 63 CE1 PHE A 911 21.369 11.803 4.289 1.00 0.00 C ATOM 64 CE2 PHE A 911 19.193 11.053 4.932 1.00 0.00 C ATOM 65 CZ PHE A 911 20.218 11.971 5.033 1.00 0.00 C ATOM 0 H PHE A 911 18.270 9.149 1.819 1.00 0.00 H new ATOM 0 HA PHE A 911 20.719 9.743 0.606 1.00 0.00 H new ATOM 0 HB2 PHE A 911 20.022 7.780 2.818 1.00 0.00 H new ATOM 0 HB3 PHE A 911 21.651 8.284 2.416 1.00 0.00 H new ATOM 0 HD1 PHE A 911 22.393 10.591 2.865 1.00 0.00 H new ATOM 0 HD2 PHE A 911 18.517 9.250 4.015 1.00 0.00 H new ATOM 0 HE1 PHE A 911 22.173 12.520 4.367 1.00 0.00 H new ATOM 0 HE2 PHE A 911 18.291 11.183 5.512 1.00 0.00 H new ATOM 0 HZ PHE A 911 20.120 12.820 5.693 1.00 0.00 H new ATOM 75 N THR A 912 19.895 6.541 0.453 1.00 0.00 N ATOM 76 CA THR A 912 20.065 5.323 -0.309 1.00 0.00 C ATOM 77 C THR A 912 18.795 5.014 -1.095 1.00 0.00 C ATOM 78 O THR A 912 17.764 5.674 -0.913 1.00 0.00 O ATOM 79 CB THR A 912 20.394 4.143 0.622 1.00 0.00 C ATOM 80 OG1 THR A 912 19.334 3.965 1.568 1.00 0.00 O ATOM 81 CG2 THR A 912 21.697 4.392 1.367 1.00 0.00 C ATOM 0 H THR A 912 19.287 6.446 1.266 1.00 0.00 H new ATOM 0 HA THR A 912 20.894 5.467 -1.003 1.00 0.00 H new ATOM 0 HB THR A 912 20.503 3.245 0.014 1.00 0.00 H new ATOM 0 HG1 THR A 912 19.646 4.223 2.461 1.00 0.00 H new ATOM 0 HG21 THR A 912 21.911 3.545 2.020 1.00 0.00 H new ATOM 0 HG22 THR A 912 22.509 4.511 0.650 1.00 0.00 H new ATOM 0 HG23 THR A 912 21.606 5.298 1.966 1.00 0.00 H new ATOM 89 N LEU A 913 18.865 4.017 -1.962 1.00 0.00 N ATOM 90 CA LEU A 913 17.708 3.612 -2.744 1.00 0.00 C ATOM 91 C LEU A 913 16.661 2.961 -1.848 1.00 0.00 C ATOM 92 O LEU A 913 15.461 3.130 -2.057 1.00 0.00 O ATOM 93 CB LEU A 913 18.121 2.653 -3.859 1.00 0.00 C ATOM 94 CG LEU A 913 19.065 3.249 -4.905 1.00 0.00 C ATOM 95 CD1 LEU A 913 19.486 2.182 -5.898 1.00 0.00 C ATOM 96 CD2 LEU A 913 18.403 4.416 -5.627 1.00 0.00 C ATOM 0 H LEU A 913 19.709 3.474 -2.142 1.00 0.00 H new ATOM 0 HA LEU A 913 17.273 4.502 -3.198 1.00 0.00 H new ATOM 0 HB2 LEU A 913 18.602 1.783 -3.411 1.00 0.00 H new ATOM 0 HB3 LEU A 913 17.223 2.296 -4.363 1.00 0.00 H new ATOM 0 HG LEU A 913 19.953 3.624 -4.395 1.00 0.00 H new ATOM 0 HD11 LEU A 913 20.158 2.618 -6.638 1.00 0.00 H new ATOM 0 HD12 LEU A 913 19.999 1.377 -5.372 1.00 0.00 H new ATOM 0 HD13 LEU A 913 18.604 1.783 -6.399 1.00 0.00 H new ATOM 0 HD21 LEU A 913 19.092 4.825 -6.366 1.00 0.00 H new ATOM 0 HD22 LEU A 913 17.499 4.069 -6.127 1.00 0.00 H new ATOM 0 HD23 LEU A 913 18.144 5.191 -4.905 1.00 0.00 H new ATOM 108 N VAL A 914 17.115 2.231 -0.837 1.00 0.00 N ATOM 109 CA VAL A 914 16.199 1.620 0.116 1.00 0.00 C ATOM 110 C VAL A 914 15.626 2.670 1.061 1.00 0.00 C ATOM 111 O VAL A 914 14.562 2.479 1.627 1.00 0.00 O ATOM 112 CB VAL A 914 16.862 0.489 0.936 1.00 0.00 C ATOM 113 CG1 VAL A 914 17.341 -0.625 0.018 1.00 0.00 C ATOM 114 CG2 VAL A 914 18.009 1.019 1.785 1.00 0.00 C ATOM 0 H VAL A 914 18.102 2.049 -0.657 1.00 0.00 H new ATOM 0 HA VAL A 914 15.394 1.175 -0.469 1.00 0.00 H new ATOM 0 HB VAL A 914 16.111 0.081 1.613 1.00 0.00 H new ATOM 0 HG11 VAL A 914 17.805 -1.412 0.612 1.00 0.00 H new ATOM 0 HG12 VAL A 914 16.492 -1.036 -0.529 1.00 0.00 H new ATOM 0 HG13 VAL A 914 18.070 -0.227 -0.688 1.00 0.00 H new ATOM 0 HG21 VAL A 914 18.453 0.199 2.349 1.00 0.00 H new ATOM 0 HG22 VAL A 914 18.764 1.466 1.138 1.00 0.00 H new ATOM 0 HG23 VAL A 914 17.632 1.772 2.477 1.00 0.00 H new ATOM 124 N GLN A 915 16.326 3.791 1.204 1.00 0.00 N ATOM 125 CA GLN A 915 15.874 4.877 2.071 1.00 0.00 C ATOM 126 C GLN A 915 14.606 5.523 1.510 1.00 0.00 C ATOM 127 O GLN A 915 13.676 5.846 2.253 1.00 0.00 O ATOM 128 CB GLN A 915 16.990 5.913 2.223 1.00 0.00 C ATOM 129 CG GLN A 915 16.690 7.047 3.193 1.00 0.00 C ATOM 130 CD GLN A 915 16.192 6.565 4.545 1.00 0.00 C ATOM 131 OE1 GLN A 915 14.988 6.486 4.784 1.00 0.00 O ATOM 132 NE2 GLN A 915 17.112 6.217 5.427 1.00 0.00 N ATOM 0 H GLN A 915 17.211 3.973 0.730 1.00 0.00 H new ATOM 0 HA GLN A 915 15.635 4.470 3.054 1.00 0.00 H new ATOM 0 HB2 GLN A 915 17.895 5.403 2.553 1.00 0.00 H new ATOM 0 HB3 GLN A 915 17.204 6.340 1.243 1.00 0.00 H new ATOM 0 HG2 GLN A 915 17.592 7.641 3.337 1.00 0.00 H new ATOM 0 HG3 GLN A 915 15.942 7.705 2.751 1.00 0.00 H new ATOM 0 HE21 GLN A 915 18.101 6.297 5.191 1.00 0.00 H new ATOM 0 HE22 GLN A 915 16.833 5.868 6.344 1.00 0.00 H new ATOM 141 N ARG A 916 14.556 5.697 0.194 1.00 0.00 N ATOM 142 CA ARG A 916 13.364 6.245 -0.439 1.00 0.00 C ATOM 143 C ARG A 916 12.250 5.198 -0.427 1.00 0.00 C ATOM 144 O ARG A 916 11.064 5.531 -0.445 1.00 0.00 O ATOM 145 CB ARG A 916 13.661 6.726 -1.869 1.00 0.00 C ATOM 146 CG ARG A 916 13.991 5.617 -2.849 1.00 0.00 C ATOM 147 CD ARG A 916 14.340 6.168 -4.222 1.00 0.00 C ATOM 148 NE ARG A 916 15.652 6.815 -4.240 1.00 0.00 N ATOM 149 CZ ARG A 916 16.049 7.681 -5.174 1.00 0.00 C ATOM 150 NH1 ARG A 916 15.216 8.068 -6.132 1.00 0.00 N ATOM 151 NH2 ARG A 916 17.278 8.174 -5.133 1.00 0.00 N ATOM 0 H ARG A 916 15.316 5.470 -0.447 1.00 0.00 H new ATOM 0 HA ARG A 916 13.035 7.116 0.128 1.00 0.00 H new ATOM 0 HB2 ARG A 916 12.797 7.277 -2.240 1.00 0.00 H new ATOM 0 HB3 ARG A 916 14.496 7.426 -1.837 1.00 0.00 H new ATOM 0 HG2 ARG A 916 14.828 5.031 -2.468 1.00 0.00 H new ATOM 0 HG3 ARG A 916 13.141 4.940 -2.933 1.00 0.00 H new ATOM 0 HD2 ARG A 916 14.326 5.358 -4.951 1.00 0.00 H new ATOM 0 HD3 ARG A 916 13.579 6.885 -4.528 1.00 0.00 H new ATOM 0 HE ARG A 916 16.305 6.589 -3.490 1.00 0.00 H new ATOM 0 HH11 ARG A 916 14.264 7.703 -6.158 1.00 0.00 H new ATOM 0 HH12 ARG A 916 15.528 8.730 -6.842 1.00 0.00 H new ATOM 0 HH21 ARG A 916 17.916 7.891 -4.389 1.00 0.00 H new ATOM 0 HH22 ARG A 916 17.586 8.836 -5.845 1.00 0.00 H new ATOM 165 N LEU A 917 12.652 3.928 -0.377 1.00 0.00 N ATOM 166 CA LEU A 917 11.715 2.821 -0.239 1.00 0.00 C ATOM 167 C LEU A 917 11.146 2.774 1.170 1.00 0.00 C ATOM 168 O LEU A 917 9.957 2.530 1.352 1.00 0.00 O ATOM 169 CB LEU A 917 12.396 1.489 -0.556 1.00 0.00 C ATOM 170 CG LEU A 917 12.465 1.120 -2.035 1.00 0.00 C ATOM 171 CD1 LEU A 917 13.307 -0.131 -2.226 1.00 0.00 C ATOM 172 CD2 LEU A 917 11.065 0.902 -2.586 1.00 0.00 C ATOM 0 H LEU A 917 13.630 3.642 -0.431 1.00 0.00 H new ATOM 0 HA LEU A 917 10.904 2.982 -0.949 1.00 0.00 H new ATOM 0 HB2 LEU A 917 13.411 1.517 -0.159 1.00 0.00 H new ATOM 0 HB3 LEU A 917 11.868 0.696 -0.026 1.00 0.00 H new ATOM 0 HG LEU A 917 12.932 1.941 -2.580 1.00 0.00 H new ATOM 0 HD11 LEU A 917 13.348 -0.384 -3.286 1.00 0.00 H new ATOM 0 HD12 LEU A 917 14.316 0.050 -1.857 1.00 0.00 H new ATOM 0 HD13 LEU A 917 12.861 -0.958 -1.673 1.00 0.00 H new ATOM 0 HD21 LEU A 917 11.126 0.639 -3.642 1.00 0.00 H new ATOM 0 HD22 LEU A 917 10.580 0.094 -2.039 1.00 0.00 H new ATOM 0 HD23 LEU A 917 10.483 1.817 -2.473 1.00 0.00 H new ATOM 184 N GLU A 918 12.016 3.001 2.156 1.00 0.00 N ATOM 185 CA GLU A 918 11.627 3.033 3.564 1.00 0.00 C ATOM 186 C GLU A 918 10.355 3.834 3.766 1.00 0.00 C ATOM 187 O GLU A 918 9.316 3.287 4.134 1.00 0.00 O ATOM 188 CB GLU A 918 12.735 3.662 4.409 1.00 0.00 C ATOM 189 CG GLU A 918 13.951 2.785 4.610 1.00 0.00 C ATOM 190 CD GLU A 918 13.781 1.874 5.799 1.00 0.00 C ATOM 191 OE1 GLU A 918 13.430 2.387 6.890 1.00 0.00 O ATOM 192 OE2 GLU A 918 13.969 0.657 5.651 1.00 0.00 O ATOM 0 H GLU A 918 13.010 3.168 1.999 1.00 0.00 H new ATOM 0 HA GLU A 918 11.456 2.003 3.876 1.00 0.00 H new ATOM 0 HB2 GLU A 918 13.049 4.593 3.937 1.00 0.00 H new ATOM 0 HB3 GLU A 918 12.326 3.922 5.385 1.00 0.00 H new ATOM 0 HG2 GLU A 918 14.123 2.188 3.714 1.00 0.00 H new ATOM 0 HG3 GLU A 918 14.833 3.410 4.751 1.00 0.00 H new ATOM 199 N HIS A 919 10.444 5.134 3.509 1.00 0.00 N ATOM 200 CA HIS A 919 9.324 6.040 3.728 1.00 0.00 C ATOM 201 C HIS A 919 8.091 5.589 2.952 1.00 0.00 C ATOM 202 O HIS A 919 6.981 5.586 3.484 1.00 0.00 O ATOM 203 CB HIS A 919 9.709 7.466 3.325 1.00 0.00 C ATOM 204 CG HIS A 919 8.612 8.466 3.537 1.00 0.00 C ATOM 205 ND1 HIS A 919 8.430 9.145 4.721 1.00 0.00 N ATOM 206 CD2 HIS A 919 7.639 8.899 2.706 1.00 0.00 C ATOM 207 CE1 HIS A 919 7.390 9.950 4.609 1.00 0.00 C ATOM 208 NE2 HIS A 919 6.894 9.819 3.395 1.00 0.00 N ATOM 0 H HIS A 919 11.284 5.585 3.147 1.00 0.00 H new ATOM 0 HA HIS A 919 9.080 6.024 4.790 1.00 0.00 H new ATOM 0 HB2 HIS A 919 10.585 7.773 3.897 1.00 0.00 H new ATOM 0 HB3 HIS A 919 9.997 7.472 2.274 1.00 0.00 H new ATOM 0 HD2 HIS A 919 7.478 8.579 1.687 1.00 0.00 H new ATOM 0 HE1 HIS A 919 7.010 10.604 5.380 1.00 0.00 H new ATOM 0 HE2 HIS A 919 6.086 10.322 3.028 1.00 0.00 H new ATOM 216 N ALA A 920 8.297 5.195 1.704 1.00 0.00 N ATOM 217 CA ALA A 920 7.199 4.796 0.837 1.00 0.00 C ATOM 218 C ALA A 920 6.502 3.544 1.365 1.00 0.00 C ATOM 219 O ALA A 920 5.273 3.476 1.400 1.00 0.00 O ATOM 220 CB ALA A 920 7.708 4.570 -0.576 1.00 0.00 C ATOM 0 H ALA A 920 9.218 5.143 1.268 1.00 0.00 H new ATOM 0 HA ALA A 920 6.464 5.601 0.824 1.00 0.00 H new ATOM 0 HB1 ALA A 920 6.879 4.272 -1.218 1.00 0.00 H new ATOM 0 HB2 ALA A 920 8.148 5.492 -0.956 1.00 0.00 H new ATOM 0 HB3 ALA A 920 8.463 3.784 -0.569 1.00 0.00 H new ATOM 226 N ALA A 921 7.292 2.567 1.794 1.00 0.00 N ATOM 227 CA ALA A 921 6.755 1.311 2.303 1.00 0.00 C ATOM 228 C ALA A 921 6.023 1.517 3.625 1.00 0.00 C ATOM 229 O ALA A 921 4.984 0.902 3.865 1.00 0.00 O ATOM 230 CB ALA A 921 7.865 0.283 2.456 1.00 0.00 C ATOM 0 H ALA A 921 8.311 2.621 1.799 1.00 0.00 H new ATOM 0 HA ALA A 921 6.031 0.936 1.579 1.00 0.00 H new ATOM 0 HB1 ALA A 921 7.448 -0.649 2.837 1.00 0.00 H new ATOM 0 HB2 ALA A 921 8.330 0.103 1.487 1.00 0.00 H new ATOM 0 HB3 ALA A 921 8.614 0.657 3.154 1.00 0.00 H new ATOM 236 N LYS A 922 6.564 2.385 4.480 1.00 0.00 N ATOM 237 CA LYS A 922 5.909 2.712 5.745 1.00 0.00 C ATOM 238 C LYS A 922 4.537 3.325 5.469 1.00 0.00 C ATOM 239 O LYS A 922 3.556 2.990 6.129 1.00 0.00 O ATOM 240 CB LYS A 922 6.752 3.694 6.569 1.00 0.00 C ATOM 241 CG LYS A 922 8.170 3.219 6.850 1.00 0.00 C ATOM 242 CD LYS A 922 8.982 4.303 7.546 1.00 0.00 C ATOM 243 CE LYS A 922 10.476 4.133 7.311 1.00 0.00 C ATOM 244 NZ LYS A 922 11.042 2.972 8.045 1.00 0.00 N ATOM 0 H LYS A 922 7.447 2.871 4.321 1.00 0.00 H new ATOM 0 HA LYS A 922 5.797 1.792 6.318 1.00 0.00 H new ATOM 0 HB2 LYS A 922 6.798 4.647 6.041 1.00 0.00 H new ATOM 0 HB3 LYS A 922 6.249 3.879 7.518 1.00 0.00 H new ATOM 0 HG2 LYS A 922 8.141 2.325 7.473 1.00 0.00 H new ATOM 0 HG3 LYS A 922 8.656 2.940 5.915 1.00 0.00 H new ATOM 0 HD2 LYS A 922 8.667 5.282 7.184 1.00 0.00 H new ATOM 0 HD3 LYS A 922 8.778 4.278 8.616 1.00 0.00 H new ATOM 0 HE2 LYS A 922 10.660 4.008 6.244 1.00 0.00 H new ATOM 0 HE3 LYS A 922 10.994 5.041 7.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 922 11.721 2.473 7.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 922 11.527 3.306 8.902 1.00 0.00 H new ATOM 0 HZ3 LYS A 922 10.275 2.323 8.312 1.00 0.00 H new ATOM 258 N GLN A 923 4.485 4.217 4.477 1.00 0.00 N ATOM 259 CA GLN A 923 3.229 4.835 4.051 1.00 0.00 C ATOM 260 C GLN A 923 2.277 3.793 3.505 1.00 0.00 C ATOM 261 O GLN A 923 1.126 3.708 3.928 1.00 0.00 O ATOM 262 CB GLN A 923 3.470 5.874 2.955 1.00 0.00 C ATOM 263 CG GLN A 923 4.163 7.142 3.409 1.00 0.00 C ATOM 264 CD GLN A 923 3.314 7.982 4.348 1.00 0.00 C ATOM 265 OE1 GLN A 923 2.532 7.461 5.143 1.00 0.00 O ATOM 266 NE2 GLN A 923 3.436 9.294 4.237 1.00 0.00 N ATOM 0 H GLN A 923 5.303 4.528 3.952 1.00 0.00 H new ATOM 0 HA GLN A 923 2.797 5.317 4.928 1.00 0.00 H new ATOM 0 HB2 GLN A 923 4.067 5.415 2.167 1.00 0.00 H new ATOM 0 HB3 GLN A 923 2.510 6.142 2.513 1.00 0.00 H new ATOM 0 HG2 GLN A 923 5.096 6.880 3.908 1.00 0.00 H new ATOM 0 HG3 GLN A 923 4.426 7.738 2.535 1.00 0.00 H new ATOM 0 HE21 GLN A 923 4.095 9.690 3.567 1.00 0.00 H new ATOM 0 HE22 GLN A 923 2.871 9.910 4.822 1.00 0.00 H new ATOM 275 N ALA A 924 2.767 3.021 2.545 1.00 0.00 N ATOM 276 CA ALA A 924 1.981 1.968 1.916 1.00 0.00 C ATOM 277 C ALA A 924 1.358 1.053 2.962 1.00 0.00 C ATOM 278 O ALA A 924 0.164 0.774 2.915 1.00 0.00 O ATOM 279 CB ALA A 924 2.844 1.168 0.952 1.00 0.00 C ATOM 0 H ALA A 924 3.716 3.106 2.181 1.00 0.00 H new ATOM 0 HA ALA A 924 1.173 2.436 1.354 1.00 0.00 H new ATOM 0 HB1 ALA A 924 2.243 0.385 0.490 1.00 0.00 H new ATOM 0 HB2 ALA A 924 3.235 1.829 0.179 1.00 0.00 H new ATOM 0 HB3 ALA A 924 3.673 0.716 1.496 1.00 0.00 H new ATOM 285 N ALA A 925 2.167 0.612 3.919 1.00 0.00 N ATOM 286 CA ALA A 925 1.689 -0.246 4.997 1.00 0.00 C ATOM 287 C ALA A 925 0.673 0.487 5.875 1.00 0.00 C ATOM 288 O ALA A 925 -0.370 -0.067 6.238 1.00 0.00 O ATOM 289 CB ALA A 925 2.864 -0.737 5.834 1.00 0.00 C ATOM 0 H ALA A 925 3.161 0.836 3.970 1.00 0.00 H new ATOM 0 HA ALA A 925 1.187 -1.106 4.554 1.00 0.00 H new ATOM 0 HB1 ALA A 925 2.497 -1.377 6.636 1.00 0.00 H new ATOM 0 HB2 ALA A 925 3.549 -1.303 5.203 1.00 0.00 H new ATOM 0 HB3 ALA A 925 3.388 0.118 6.262 1.00 0.00 H new ATOM 295 N ALA A 926 0.976 1.742 6.191 1.00 0.00 N ATOM 296 CA ALA A 926 0.119 2.561 7.042 1.00 0.00 C ATOM 297 C ALA A 926 -1.241 2.805 6.395 1.00 0.00 C ATOM 298 O ALA A 926 -2.284 2.475 6.968 1.00 0.00 O ATOM 299 CB ALA A 926 0.803 3.888 7.345 1.00 0.00 C ATOM 0 H ALA A 926 1.818 2.218 5.867 1.00 0.00 H new ATOM 0 HA ALA A 926 -0.048 2.020 7.973 1.00 0.00 H new ATOM 0 HB1 ALA A 926 0.157 4.494 7.981 1.00 0.00 H new ATOM 0 HB2 ALA A 926 1.746 3.702 7.859 1.00 0.00 H new ATOM 0 HB3 ALA A 926 0.996 4.419 6.413 1.00 0.00 H new ATOM 305 N SER A 927 -1.222 3.358 5.192 1.00 0.00 N ATOM 306 CA SER A 927 -2.443 3.737 4.505 1.00 0.00 C ATOM 307 C SER A 927 -3.257 2.504 4.120 1.00 0.00 C ATOM 308 O SER A 927 -4.486 2.543 4.113 1.00 0.00 O ATOM 309 CB SER A 927 -2.117 4.576 3.268 1.00 0.00 C ATOM 310 OG SER A 927 -3.279 5.203 2.756 1.00 0.00 O ATOM 0 H SER A 927 -0.368 3.554 4.670 1.00 0.00 H new ATOM 0 HA SER A 927 -3.046 4.339 5.185 1.00 0.00 H new ATOM 0 HB2 SER A 927 -1.375 5.332 3.523 1.00 0.00 H new ATOM 0 HB3 SER A 927 -1.675 3.941 2.500 1.00 0.00 H new ATOM 0 HG SER A 927 -3.572 5.904 3.375 1.00 0.00 H new ATOM 316 N ALA A 928 -2.574 1.401 3.819 1.00 0.00 N ATOM 317 CA ALA A 928 -3.258 0.152 3.500 1.00 0.00 C ATOM 318 C ALA A 928 -4.098 -0.314 4.677 1.00 0.00 C ATOM 319 O ALA A 928 -5.256 -0.699 4.512 1.00 0.00 O ATOM 320 CB ALA A 928 -2.263 -0.925 3.115 1.00 0.00 C ATOM 0 H ALA A 928 -1.556 1.348 3.790 1.00 0.00 H new ATOM 0 HA ALA A 928 -3.915 0.337 2.651 1.00 0.00 H new ATOM 0 HB1 ALA A 928 -2.796 -1.847 2.882 1.00 0.00 H new ATOM 0 HB2 ALA A 928 -1.697 -0.602 2.241 1.00 0.00 H new ATOM 0 HB3 ALA A 928 -1.579 -1.102 3.945 1.00 0.00 H new ATOM 326 N THR A 929 -3.509 -0.256 5.866 1.00 0.00 N ATOM 327 CA THR A 929 -4.205 -0.633 7.086 1.00 0.00 C ATOM 328 C THR A 929 -5.447 0.239 7.276 1.00 0.00 C ATOM 329 O THR A 929 -6.511 -0.249 7.667 1.00 0.00 O ATOM 330 CB THR A 929 -3.273 -0.497 8.311 1.00 0.00 C ATOM 331 OG1 THR A 929 -2.041 -1.193 8.063 1.00 0.00 O ATOM 332 CG2 THR A 929 -3.928 -1.063 9.563 1.00 0.00 C ATOM 0 H THR A 929 -2.547 0.050 6.009 1.00 0.00 H new ATOM 0 HA THR A 929 -4.511 -1.675 6.997 1.00 0.00 H new ATOM 0 HB THR A 929 -3.076 0.563 8.471 1.00 0.00 H new ATOM 0 HG1 THR A 929 -1.477 -0.658 7.466 1.00 0.00 H new ATOM 0 HG21 THR A 929 -3.250 -0.954 10.409 1.00 0.00 H new ATOM 0 HG22 THR A 929 -4.852 -0.522 9.766 1.00 0.00 H new ATOM 0 HG23 THR A 929 -4.152 -2.119 9.411 1.00 0.00 H new ATOM 340 N GLN A 930 -5.304 1.522 6.960 1.00 0.00 N ATOM 341 CA GLN A 930 -6.411 2.464 7.045 1.00 0.00 C ATOM 342 C GLN A 930 -7.477 2.154 6.001 1.00 0.00 C ATOM 343 O GLN A 930 -8.671 2.156 6.303 1.00 0.00 O ATOM 344 CB GLN A 930 -5.909 3.896 6.850 1.00 0.00 C ATOM 345 CG GLN A 930 -5.020 4.400 7.974 1.00 0.00 C ATOM 346 CD GLN A 930 -5.760 4.558 9.291 1.00 0.00 C ATOM 347 OE1 GLN A 930 -6.699 3.819 9.593 1.00 0.00 O ATOM 348 NE2 GLN A 930 -5.357 5.542 10.074 1.00 0.00 N ATOM 0 H GLN A 930 -4.427 1.933 6.641 1.00 0.00 H new ATOM 0 HA GLN A 930 -6.854 2.367 8.036 1.00 0.00 H new ATOM 0 HB2 GLN A 930 -5.357 3.951 5.912 1.00 0.00 H new ATOM 0 HB3 GLN A 930 -6.768 4.561 6.754 1.00 0.00 H new ATOM 0 HG2 GLN A 930 -4.189 3.708 8.111 1.00 0.00 H new ATOM 0 HG3 GLN A 930 -4.591 5.360 7.687 1.00 0.00 H new ATOM 0 HE21 GLN A 930 -4.576 6.133 9.790 1.00 0.00 H new ATOM 0 HE22 GLN A 930 -5.827 5.711 10.963 1.00 0.00 H new ATOM 357 N THR A 931 -7.039 1.882 4.779 1.00 0.00 N ATOM 358 CA THR A 931 -7.955 1.605 3.685 1.00 0.00 C ATOM 359 C THR A 931 -8.761 0.338 3.958 1.00 0.00 C ATOM 360 O THR A 931 -9.960 0.297 3.702 1.00 0.00 O ATOM 361 CB THR A 931 -7.210 1.467 2.342 1.00 0.00 C ATOM 362 OG1 THR A 931 -6.328 2.581 2.153 1.00 0.00 O ATOM 363 CG2 THR A 931 -8.194 1.410 1.180 1.00 0.00 C ATOM 0 H THR A 931 -6.053 1.848 4.522 1.00 0.00 H new ATOM 0 HA THR A 931 -8.636 2.453 3.615 1.00 0.00 H new ATOM 0 HB THR A 931 -6.636 0.541 2.368 1.00 0.00 H new ATOM 0 HG1 THR A 931 -5.497 2.428 2.649 1.00 0.00 H new ATOM 0 HG21 THR A 931 -7.645 1.313 0.243 1.00 0.00 H new ATOM 0 HG22 THR A 931 -8.855 0.552 1.304 1.00 0.00 H new ATOM 0 HG23 THR A 931 -8.787 2.325 1.160 1.00 0.00 H new ATOM 371 N ILE A 932 -8.104 -0.686 4.497 1.00 0.00 N ATOM 372 CA ILE A 932 -8.787 -1.925 4.850 1.00 0.00 C ATOM 373 C ILE A 932 -9.853 -1.663 5.911 1.00 0.00 C ATOM 374 O ILE A 932 -10.984 -2.138 5.798 1.00 0.00 O ATOM 375 CB ILE A 932 -7.799 -3.001 5.358 1.00 0.00 C ATOM 376 CG1 ILE A 932 -6.817 -3.381 4.245 1.00 0.00 C ATOM 377 CG2 ILE A 932 -8.549 -4.234 5.852 1.00 0.00 C ATOM 378 CD1 ILE A 932 -5.775 -4.393 4.670 1.00 0.00 C ATOM 0 H ILE A 932 -7.104 -0.682 4.698 1.00 0.00 H new ATOM 0 HA ILE A 932 -9.261 -2.303 3.944 1.00 0.00 H new ATOM 0 HB ILE A 932 -7.238 -2.588 6.196 1.00 0.00 H new ATOM 0 HG12 ILE A 932 -7.377 -3.783 3.400 1.00 0.00 H new ATOM 0 HG13 ILE A 932 -6.313 -2.480 3.894 1.00 0.00 H new ATOM 0 HG21 ILE A 932 -7.834 -4.978 6.205 1.00 0.00 H new ATOM 0 HG22 ILE A 932 -9.213 -3.953 6.669 1.00 0.00 H new ATOM 0 HG23 ILE A 932 -9.136 -4.654 5.036 1.00 0.00 H new ATOM 0 HD11 ILE A 932 -5.117 -4.612 3.829 1.00 0.00 H new ATOM 0 HD12 ILE A 932 -5.188 -3.987 5.494 1.00 0.00 H new ATOM 0 HD13 ILE A 932 -6.269 -5.310 4.993 1.00 0.00 H new ATOM 390 N ALA A 933 -9.493 -0.880 6.924 1.00 0.00 N ATOM 391 CA ALA A 933 -10.427 -0.523 7.987 1.00 0.00 C ATOM 392 C ALA A 933 -11.632 0.219 7.421 1.00 0.00 C ATOM 393 O ALA A 933 -12.781 -0.076 7.762 1.00 0.00 O ATOM 394 CB ALA A 933 -9.732 0.329 9.038 1.00 0.00 C ATOM 0 H ALA A 933 -8.561 -0.480 7.031 1.00 0.00 H new ATOM 0 HA ALA A 933 -10.778 -1.442 8.455 1.00 0.00 H new ATOM 0 HB1 ALA A 933 -10.441 0.587 9.824 1.00 0.00 H new ATOM 0 HB2 ALA A 933 -8.901 -0.230 9.468 1.00 0.00 H new ATOM 0 HB3 ALA A 933 -9.355 1.241 8.576 1.00 0.00 H new ATOM 400 N ALA A 934 -11.364 1.175 6.543 1.00 0.00 N ATOM 401 CA ALA A 934 -12.419 1.942 5.902 1.00 0.00 C ATOM 402 C ALA A 934 -13.271 1.052 5.004 1.00 0.00 C ATOM 403 O ALA A 934 -14.496 1.100 5.058 1.00 0.00 O ATOM 404 CB ALA A 934 -11.828 3.093 5.104 1.00 0.00 C ATOM 0 H ALA A 934 -10.420 1.438 6.258 1.00 0.00 H new ATOM 0 HA ALA A 934 -13.062 2.352 6.681 1.00 0.00 H new ATOM 0 HB1 ALA A 934 -12.631 3.657 4.630 1.00 0.00 H new ATOM 0 HB2 ALA A 934 -11.268 3.749 5.771 1.00 0.00 H new ATOM 0 HB3 ALA A 934 -11.160 2.699 4.338 1.00 0.00 H new ATOM 410 N ALA A 935 -12.612 0.222 4.204 1.00 0.00 N ATOM 411 CA ALA A 935 -13.295 -0.644 3.248 1.00 0.00 C ATOM 412 C ALA A 935 -14.210 -1.641 3.949 1.00 0.00 C ATOM 413 O ALA A 935 -15.386 -1.764 3.603 1.00 0.00 O ATOM 414 CB ALA A 935 -12.280 -1.379 2.382 1.00 0.00 C ATOM 0 H ALA A 935 -11.596 0.130 4.198 1.00 0.00 H new ATOM 0 HA ALA A 935 -13.916 -0.012 2.613 1.00 0.00 H new ATOM 0 HB1 ALA A 935 -12.803 -2.021 1.674 1.00 0.00 H new ATOM 0 HB2 ALA A 935 -11.675 -0.655 1.837 1.00 0.00 H new ATOM 0 HB3 ALA A 935 -11.634 -1.988 3.015 1.00 0.00 H new ATOM 420 N GLN A 936 -13.675 -2.333 4.947 1.00 0.00 N ATOM 421 CA GLN A 936 -14.427 -3.363 5.656 1.00 0.00 C ATOM 422 C GLN A 936 -15.620 -2.778 6.402 1.00 0.00 C ATOM 423 O GLN A 936 -16.630 -3.451 6.591 1.00 0.00 O ATOM 424 CB GLN A 936 -13.521 -4.121 6.629 1.00 0.00 C ATOM 425 CG GLN A 936 -12.494 -5.010 5.943 1.00 0.00 C ATOM 426 CD GLN A 936 -13.117 -6.191 5.217 1.00 0.00 C ATOM 427 OE1 GLN A 936 -14.249 -6.125 4.736 1.00 0.00 O ATOM 428 NE2 GLN A 936 -12.379 -7.285 5.137 1.00 0.00 N ATOM 0 H GLN A 936 -12.722 -2.200 5.285 1.00 0.00 H new ATOM 0 HA GLN A 936 -14.807 -4.059 4.908 1.00 0.00 H new ATOM 0 HB2 GLN A 936 -13.001 -3.402 7.262 1.00 0.00 H new ATOM 0 HB3 GLN A 936 -14.139 -4.734 7.284 1.00 0.00 H new ATOM 0 HG2 GLN A 936 -11.924 -4.413 5.231 1.00 0.00 H new ATOM 0 HG3 GLN A 936 -11.788 -5.380 6.687 1.00 0.00 H new ATOM 0 HE21 GLN A 936 -11.446 -7.302 5.548 1.00 0.00 H new ATOM 0 HE22 GLN A 936 -12.743 -8.112 4.664 1.00 0.00 H new ATOM 437 N HIS A 937 -15.509 -1.524 6.818 1.00 0.00 N ATOM 438 CA HIS A 937 -16.599 -0.868 7.531 1.00 0.00 C ATOM 439 C HIS A 937 -17.575 -0.215 6.563 1.00 0.00 C ATOM 440 O HIS A 937 -18.745 -0.006 6.889 1.00 0.00 O ATOM 441 CB HIS A 937 -16.062 0.172 8.513 1.00 0.00 C ATOM 442 CG HIS A 937 -15.499 -0.411 9.772 1.00 0.00 C ATOM 443 ND1 HIS A 937 -15.943 -0.054 11.025 1.00 0.00 N ATOM 444 CD2 HIS A 937 -14.513 -1.316 9.970 1.00 0.00 C ATOM 445 CE1 HIS A 937 -15.255 -0.714 11.936 1.00 0.00 C ATOM 446 NE2 HIS A 937 -14.379 -1.488 11.323 1.00 0.00 N ATOM 0 H HIS A 937 -14.682 -0.943 6.676 1.00 0.00 H new ATOM 0 HA HIS A 937 -17.131 -1.636 8.092 1.00 0.00 H new ATOM 0 HB2 HIS A 937 -15.287 0.758 8.018 1.00 0.00 H new ATOM 0 HB3 HIS A 937 -16.866 0.861 8.772 1.00 0.00 H new ATOM 0 HD2 HIS A 937 -13.937 -1.812 9.203 1.00 0.00 H new ATOM 0 HE1 HIS A 937 -15.386 -0.635 13.005 1.00 0.00 H new ATOM 0 HE2 HIS A 937 -13.713 -2.111 11.780 1.00 0.00 H new ATOM 454 N ALA A 938 -17.092 0.113 5.374 1.00 0.00 N ATOM 455 CA ALA A 938 -17.928 0.728 4.355 1.00 0.00 C ATOM 456 C ALA A 938 -18.778 -0.320 3.655 1.00 0.00 C ATOM 457 O ALA A 938 -19.847 -0.020 3.124 1.00 0.00 O ATOM 458 CB ALA A 938 -17.068 1.468 3.346 1.00 0.00 C ATOM 0 H ALA A 938 -16.124 -0.037 5.091 1.00 0.00 H new ATOM 0 HA ALA A 938 -18.593 1.442 4.840 1.00 0.00 H new ATOM 0 HB1 ALA A 938 -17.706 1.924 2.589 1.00 0.00 H new ATOM 0 HB2 ALA A 938 -16.497 2.245 3.855 1.00 0.00 H new ATOM 0 HB3 ALA A 938 -16.382 0.768 2.869 1.00 0.00 H new ATOM 464 N ALA A 939 -18.293 -1.551 3.653 1.00 0.00 N ATOM 465 CA ALA A 939 -19.014 -2.647 3.038 1.00 0.00 C ATOM 466 C ALA A 939 -20.132 -3.144 3.947 1.00 0.00 C ATOM 467 O ALA A 939 -19.937 -4.056 4.750 1.00 0.00 O ATOM 468 CB ALA A 939 -18.066 -3.782 2.687 1.00 0.00 C ATOM 0 H ALA A 939 -17.401 -1.814 4.072 1.00 0.00 H new ATOM 0 HA ALA A 939 -19.466 -2.278 2.117 1.00 0.00 H new ATOM 0 HB1 ALA A 939 -18.627 -4.595 2.226 1.00 0.00 H new ATOM 0 HB2 ALA A 939 -17.310 -3.422 1.989 1.00 0.00 H new ATOM 0 HB3 ALA A 939 -17.580 -4.144 3.593 1.00 0.00 H new ATOM 474 N SER A 940 -21.293 -2.516 3.837 1.00 0.00 N ATOM 475 CA SER A 940 -22.476 -2.958 4.559 1.00 0.00 C ATOM 476 C SER A 940 -23.098 -4.152 3.846 1.00 0.00 C ATOM 477 O SER A 940 -24.019 -4.793 4.358 1.00 0.00 O ATOM 478 CB SER A 940 -23.477 -1.808 4.664 1.00 0.00 C ATOM 479 OG SER A 940 -23.673 -1.194 3.401 1.00 0.00 O ATOM 0 H SER A 940 -21.441 -1.694 3.251 1.00 0.00 H new ATOM 0 HA SER A 940 -22.195 -3.265 5.566 1.00 0.00 H new ATOM 0 HB2 SER A 940 -24.428 -2.181 5.043 1.00 0.00 H new ATOM 0 HB3 SER A 940 -23.116 -1.070 5.380 1.00 0.00 H new ATOM 0 HG SER A 940 -24.318 -0.462 3.490 1.00 0.00 H new ATOM 485 N ALA A 941 -22.572 -4.420 2.647 1.00 0.00 N ATOM 486 CA ALA A 941 -22.963 -5.562 1.831 1.00 0.00 C ATOM 487 C ALA A 941 -24.447 -5.533 1.481 1.00 0.00 C ATOM 488 O ALA A 941 -25.285 -6.034 2.234 1.00 0.00 O ATOM 489 CB ALA A 941 -22.594 -6.870 2.518 1.00 0.00 C ATOM 0 H ALA A 941 -21.854 -3.839 2.215 1.00 0.00 H new ATOM 0 HA ALA A 941 -22.409 -5.495 0.895 1.00 0.00 H new ATOM 0 HB1 ALA A 941 -22.896 -7.708 1.890 1.00 0.00 H new ATOM 0 HB2 ALA A 941 -21.516 -6.906 2.678 1.00 0.00 H new ATOM 0 HB3 ALA A 941 -23.106 -6.934 3.478 1.00 0.00 H new ATOM 495 N PRO A 942 -24.791 -4.915 0.340 1.00 0.00 N ATOM 496 CA PRO A 942 -26.152 -4.948 -0.188 1.00 0.00 C ATOM 497 C PRO A 942 -26.599 -6.389 -0.403 1.00 0.00 C ATOM 498 O PRO A 942 -26.049 -7.100 -1.243 1.00 0.00 O ATOM 499 CB PRO A 942 -26.058 -4.190 -1.519 1.00 0.00 C ATOM 500 CG PRO A 942 -24.602 -4.110 -1.834 1.00 0.00 C ATOM 501 CD PRO A 942 -23.884 -4.140 -0.515 1.00 0.00 C ATOM 0 HA PRO A 942 -26.882 -4.501 0.487 1.00 0.00 H new ATOM 0 HB2 PRO A 942 -26.601 -4.712 -2.307 1.00 0.00 H new ATOM 0 HB3 PRO A 942 -26.496 -3.195 -1.435 1.00 0.00 H new ATOM 0 HG2 PRO A 942 -24.294 -4.945 -2.464 1.00 0.00 H new ATOM 0 HG3 PRO A 942 -24.372 -3.196 -2.381 1.00 0.00 H new ATOM 0 HD2 PRO A 942 -22.906 -4.614 -0.599 1.00 0.00 H new ATOM 0 HD3 PRO A 942 -23.719 -3.136 -0.123 1.00 0.00 H new ATOM 509 N LYS A 943 -27.599 -6.801 0.360 1.00 0.00 N ATOM 510 CA LYS A 943 -27.941 -8.212 0.509 1.00 0.00 C ATOM 511 C LYS A 943 -28.299 -8.876 -0.819 1.00 0.00 C ATOM 512 O LYS A 943 -28.022 -10.060 -1.016 1.00 0.00 O ATOM 513 CB LYS A 943 -29.086 -8.381 1.519 1.00 0.00 C ATOM 514 CG LYS A 943 -28.671 -8.167 2.976 1.00 0.00 C ATOM 515 CD LYS A 943 -28.198 -6.742 3.242 1.00 0.00 C ATOM 516 CE LYS A 943 -27.642 -6.581 4.649 1.00 0.00 C ATOM 517 NZ LYS A 943 -26.972 -5.263 4.833 1.00 0.00 N ATOM 0 H LYS A 943 -28.197 -6.170 0.894 1.00 0.00 H new ATOM 0 HA LYS A 943 -27.050 -8.716 0.884 1.00 0.00 H new ATOM 0 HB2 LYS A 943 -29.881 -7.677 1.272 1.00 0.00 H new ATOM 0 HB3 LYS A 943 -29.503 -9.383 1.415 1.00 0.00 H new ATOM 0 HG2 LYS A 943 -29.514 -8.395 3.628 1.00 0.00 H new ATOM 0 HG3 LYS A 943 -27.873 -8.865 3.230 1.00 0.00 H new ATOM 0 HD2 LYS A 943 -27.431 -6.473 2.516 1.00 0.00 H new ATOM 0 HD3 LYS A 943 -29.029 -6.051 3.099 1.00 0.00 H new ATOM 0 HE2 LYS A 943 -28.451 -6.682 5.373 1.00 0.00 H new ATOM 0 HE3 LYS A 943 -26.931 -7.382 4.852 1.00 0.00 H new ATOM 0 HZ1 LYS A 943 -27.074 -4.956 5.822 1.00 0.00 H new ATOM 0 HZ2 LYS A 943 -25.962 -5.352 4.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 943 -27.411 -4.560 4.205 1.00 0.00 H new ATOM 531 N ALA A 944 -28.888 -8.123 -1.734 1.00 0.00 N ATOM 532 CA ALA A 944 -29.317 -8.686 -3.007 1.00 0.00 C ATOM 533 C ALA A 944 -28.495 -8.138 -4.172 1.00 0.00 C ATOM 534 O ALA A 944 -28.729 -8.491 -5.327 1.00 0.00 O ATOM 535 CB ALA A 944 -30.795 -8.411 -3.222 1.00 0.00 C ATOM 0 H ALA A 944 -29.080 -7.127 -1.622 1.00 0.00 H new ATOM 0 HA ALA A 944 -29.154 -9.763 -2.972 1.00 0.00 H new ATOM 0 HB1 ALA A 944 -31.109 -8.835 -4.176 1.00 0.00 H new ATOM 0 HB2 ALA A 944 -31.371 -8.866 -2.416 1.00 0.00 H new ATOM 0 HB3 ALA A 944 -30.968 -7.335 -3.229 1.00 0.00 H new ATOM 541 N SER A 945 -27.529 -7.285 -3.866 1.00 0.00 N ATOM 542 CA SER A 945 -26.732 -6.640 -4.901 1.00 0.00 C ATOM 543 C SER A 945 -25.276 -7.100 -4.841 1.00 0.00 C ATOM 544 O SER A 945 -24.591 -7.165 -5.863 1.00 0.00 O ATOM 545 CB SER A 945 -26.819 -5.117 -4.754 1.00 0.00 C ATOM 546 OG SER A 945 -26.155 -4.449 -5.813 1.00 0.00 O ATOM 0 H SER A 945 -27.278 -7.023 -2.913 1.00 0.00 H new ATOM 0 HA SER A 945 -27.133 -6.927 -5.873 1.00 0.00 H new ATOM 0 HB2 SER A 945 -27.865 -4.813 -4.731 1.00 0.00 H new ATOM 0 HB3 SER A 945 -26.379 -4.818 -3.803 1.00 0.00 H new ATOM 0 HG SER A 945 -26.232 -3.480 -5.688 1.00 0.00 H new ATOM 552 N ALA A 946 -24.806 -7.424 -3.645 1.00 0.00 N ATOM 553 CA ALA A 946 -23.440 -7.883 -3.468 1.00 0.00 C ATOM 554 C ALA A 946 -23.358 -9.389 -3.657 1.00 0.00 C ATOM 555 O ALA A 946 -24.154 -10.139 -3.092 1.00 0.00 O ATOM 556 CB ALA A 946 -22.916 -7.492 -2.094 1.00 0.00 C ATOM 0 H ALA A 946 -25.352 -7.377 -2.785 1.00 0.00 H new ATOM 0 HA ALA A 946 -22.817 -7.403 -4.223 1.00 0.00 H new ATOM 0 HB1 ALA A 946 -21.891 -7.845 -1.981 1.00 0.00 H new ATOM 0 HB2 ALA A 946 -22.939 -6.407 -1.991 1.00 0.00 H new ATOM 0 HB3 ALA A 946 -23.542 -7.943 -1.324 1.00 0.00 H new ATOM 562 N GLY A 947 -22.405 -9.821 -4.466 1.00 0.00 N ATOM 563 CA GLY A 947 -22.215 -11.234 -4.694 1.00 0.00 C ATOM 564 C GLY A 947 -21.012 -11.764 -3.946 1.00 0.00 C ATOM 565 O GLY A 947 -20.314 -10.996 -3.281 1.00 0.00 O ATOM 0 H GLY A 947 -21.758 -9.215 -4.970 1.00 0.00 H new ATOM 0 HA2 GLY A 947 -23.107 -11.777 -4.380 1.00 0.00 H new ATOM 0 HA3 GLY A 947 -22.090 -11.417 -5.761 1.00 0.00 H new ATOM 569 N PRO A 948 -20.742 -13.073 -4.038 1.00 0.00 N ATOM 570 CA PRO A 948 -19.601 -13.699 -3.366 1.00 0.00 C ATOM 571 C PRO A 948 -18.280 -13.011 -3.697 1.00 0.00 C ATOM 572 O PRO A 948 -17.933 -12.850 -4.871 1.00 0.00 O ATOM 573 CB PRO A 948 -19.609 -15.130 -3.905 1.00 0.00 C ATOM 574 CG PRO A 948 -21.022 -15.372 -4.302 1.00 0.00 C ATOM 575 CD PRO A 948 -21.538 -14.053 -4.799 1.00 0.00 C ATOM 0 HA PRO A 948 -19.687 -13.638 -2.281 1.00 0.00 H new ATOM 0 HB2 PRO A 948 -18.934 -15.238 -4.754 1.00 0.00 H new ATOM 0 HB3 PRO A 948 -19.283 -15.841 -3.146 1.00 0.00 H new ATOM 0 HG2 PRO A 948 -21.085 -16.134 -5.078 1.00 0.00 H new ATOM 0 HG3 PRO A 948 -21.610 -15.729 -3.457 1.00 0.00 H new ATOM 0 HD2 PRO A 948 -21.393 -13.943 -5.874 1.00 0.00 H new ATOM 0 HD3 PRO A 948 -22.605 -13.940 -4.608 1.00 0.00 H new ATOM 583 N GLN A 949 -17.569 -12.602 -2.651 1.00 0.00 N ATOM 584 CA GLN A 949 -16.272 -11.941 -2.775 1.00 0.00 C ATOM 585 C GLN A 949 -16.374 -10.593 -3.481 1.00 0.00 C ATOM 586 O GLN A 949 -16.154 -10.493 -4.690 1.00 0.00 O ATOM 587 CB GLN A 949 -15.262 -12.839 -3.493 1.00 0.00 C ATOM 588 CG GLN A 949 -14.824 -14.034 -2.668 1.00 0.00 C ATOM 589 CD GLN A 949 -14.170 -13.621 -1.366 1.00 0.00 C ATOM 590 OE1 GLN A 949 -12.966 -13.393 -1.317 1.00 0.00 O ATOM 591 NE2 GLN A 949 -14.955 -13.525 -0.302 1.00 0.00 N ATOM 0 H GLN A 949 -17.878 -12.720 -1.686 1.00 0.00 H new ATOM 0 HA GLN A 949 -15.919 -11.755 -1.761 1.00 0.00 H new ATOM 0 HB2 GLN A 949 -15.701 -13.192 -4.426 1.00 0.00 H new ATOM 0 HB3 GLN A 949 -14.385 -12.248 -3.757 1.00 0.00 H new ATOM 0 HG2 GLN A 949 -15.688 -14.663 -2.455 1.00 0.00 H new ATOM 0 HG3 GLN A 949 -14.126 -14.638 -3.248 1.00 0.00 H new ATOM 0 HE21 GLN A 949 -15.952 -13.723 -0.384 1.00 0.00 H new ATOM 0 HE22 GLN A 949 -14.562 -13.253 0.599 1.00 0.00 H new ATOM 600 N PRO A 950 -16.730 -9.537 -2.734 1.00 0.00 N ATOM 601 CA PRO A 950 -16.716 -8.165 -3.245 1.00 0.00 C ATOM 602 C PRO A 950 -15.288 -7.695 -3.510 1.00 0.00 C ATOM 603 O PRO A 950 -14.346 -8.188 -2.884 1.00 0.00 O ATOM 604 CB PRO A 950 -17.353 -7.338 -2.118 1.00 0.00 C ATOM 605 CG PRO A 950 -18.003 -8.333 -1.216 1.00 0.00 C ATOM 606 CD PRO A 950 -17.194 -9.592 -1.342 1.00 0.00 C ATOM 0 HA PRO A 950 -17.248 -8.070 -4.191 1.00 0.00 H new ATOM 0 HB2 PRO A 950 -16.601 -6.756 -1.585 1.00 0.00 H new ATOM 0 HB3 PRO A 950 -18.082 -6.631 -2.513 1.00 0.00 H new ATOM 0 HG2 PRO A 950 -18.014 -7.977 -0.186 1.00 0.00 H new ATOM 0 HG3 PRO A 950 -19.040 -8.504 -1.506 1.00 0.00 H new ATOM 0 HD2 PRO A 950 -16.362 -9.611 -0.638 1.00 0.00 H new ATOM 0 HD3 PRO A 950 -17.795 -10.481 -1.150 1.00 0.00 H new ATOM 614 N LEU A 951 -15.135 -6.744 -4.423 1.00 0.00 N ATOM 615 CA LEU A 951 -13.816 -6.270 -4.834 1.00 0.00 C ATOM 616 C LEU A 951 -13.020 -5.749 -3.638 1.00 0.00 C ATOM 617 O LEU A 951 -11.826 -6.028 -3.514 1.00 0.00 O ATOM 618 CB LEU A 951 -13.958 -5.177 -5.899 1.00 0.00 C ATOM 619 CG LEU A 951 -13.030 -5.310 -7.115 1.00 0.00 C ATOM 620 CD1 LEU A 951 -11.572 -5.162 -6.716 1.00 0.00 C ATOM 621 CD2 LEU A 951 -13.254 -6.644 -7.809 1.00 0.00 C ATOM 0 H LEU A 951 -15.912 -6.282 -4.896 1.00 0.00 H new ATOM 0 HA LEU A 951 -13.269 -7.111 -5.260 1.00 0.00 H new ATOM 0 HB2 LEU A 951 -14.990 -5.170 -6.251 1.00 0.00 H new ATOM 0 HB3 LEU A 951 -13.775 -4.211 -5.429 1.00 0.00 H new ATOM 0 HG LEU A 951 -13.272 -4.505 -7.809 1.00 0.00 H new ATOM 0 HD11 LEU A 951 -10.941 -5.261 -7.599 1.00 0.00 H new ATOM 0 HD12 LEU A 951 -11.416 -4.181 -6.267 1.00 0.00 H new ATOM 0 HD13 LEU A 951 -11.312 -5.937 -5.995 1.00 0.00 H new ATOM 0 HD21 LEU A 951 -12.589 -6.723 -8.669 1.00 0.00 H new ATOM 0 HD22 LEU A 951 -13.045 -7.456 -7.113 1.00 0.00 H new ATOM 0 HD23 LEU A 951 -14.289 -6.711 -8.144 1.00 0.00 H new ATOM 633 N LEU A 952 -13.686 -5.007 -2.755 1.00 0.00 N ATOM 634 CA LEU A 952 -13.042 -4.481 -1.552 1.00 0.00 C ATOM 635 C LEU A 952 -12.480 -5.609 -0.693 1.00 0.00 C ATOM 636 O LEU A 952 -11.285 -5.647 -0.410 1.00 0.00 O ATOM 637 CB LEU A 952 -14.029 -3.651 -0.725 1.00 0.00 C ATOM 638 CG LEU A 952 -14.440 -2.310 -1.339 1.00 0.00 C ATOM 639 CD1 LEU A 952 -15.510 -1.644 -0.490 1.00 0.00 C ATOM 640 CD2 LEU A 952 -13.231 -1.398 -1.479 1.00 0.00 C ATOM 0 H LEU A 952 -14.670 -4.756 -2.849 1.00 0.00 H new ATOM 0 HA LEU A 952 -12.220 -3.841 -1.874 1.00 0.00 H new ATOM 0 HB2 LEU A 952 -14.927 -4.246 -0.560 1.00 0.00 H new ATOM 0 HB3 LEU A 952 -13.587 -3.462 0.254 1.00 0.00 H new ATOM 0 HG LEU A 952 -14.851 -2.495 -2.331 1.00 0.00 H new ATOM 0 HD11 LEU A 952 -15.791 -0.692 -0.940 1.00 0.00 H new ATOM 0 HD12 LEU A 952 -16.385 -2.291 -0.434 1.00 0.00 H new ATOM 0 HD13 LEU A 952 -15.122 -1.470 0.514 1.00 0.00 H new ATOM 0 HD21 LEU A 952 -13.540 -0.449 -1.917 1.00 0.00 H new ATOM 0 HD22 LEU A 952 -12.794 -1.219 -0.496 1.00 0.00 H new ATOM 0 HD23 LEU A 952 -12.491 -1.871 -2.124 1.00 0.00 H new ATOM 652 N VAL A 953 -13.348 -6.539 -0.307 1.00 0.00 N ATOM 653 CA VAL A 953 -12.965 -7.631 0.582 1.00 0.00 C ATOM 654 C VAL A 953 -11.916 -8.530 -0.067 1.00 0.00 C ATOM 655 O VAL A 953 -10.982 -8.990 0.591 1.00 0.00 O ATOM 656 CB VAL A 953 -14.191 -8.481 0.986 1.00 0.00 C ATOM 657 CG1 VAL A 953 -13.796 -9.578 1.966 1.00 0.00 C ATOM 658 CG2 VAL A 953 -15.282 -7.601 1.581 1.00 0.00 C ATOM 0 H VAL A 953 -14.326 -6.558 -0.597 1.00 0.00 H new ATOM 0 HA VAL A 953 -12.538 -7.179 1.477 1.00 0.00 H new ATOM 0 HB VAL A 953 -14.582 -8.956 0.086 1.00 0.00 H new ATOM 0 HG11 VAL A 953 -14.677 -10.161 2.234 1.00 0.00 H new ATOM 0 HG12 VAL A 953 -13.056 -10.231 1.503 1.00 0.00 H new ATOM 0 HG13 VAL A 953 -13.372 -9.128 2.864 1.00 0.00 H new ATOM 0 HG21 VAL A 953 -16.136 -8.218 1.859 1.00 0.00 H new ATOM 0 HG22 VAL A 953 -14.898 -7.094 2.466 1.00 0.00 H new ATOM 0 HG23 VAL A 953 -15.594 -6.860 0.845 1.00 0.00 H new ATOM 668 N GLN A 954 -12.063 -8.764 -1.362 1.00 0.00 N ATOM 669 CA GLN A 954 -11.121 -9.593 -2.100 1.00 0.00 C ATOM 670 C GLN A 954 -9.730 -8.957 -2.096 1.00 0.00 C ATOM 671 O GLN A 954 -8.738 -9.604 -1.749 1.00 0.00 O ATOM 672 CB GLN A 954 -11.612 -9.786 -3.535 1.00 0.00 C ATOM 673 CG GLN A 954 -10.763 -10.744 -4.353 1.00 0.00 C ATOM 674 CD GLN A 954 -11.290 -10.936 -5.762 1.00 0.00 C ATOM 675 OE1 GLN A 954 -12.600 -10.828 -5.926 1.00 0.00 O flip ATOM 676 NE2 GLN A 954 -10.525 -11.184 -6.693 1.00 0.00 N flip ATOM 0 H GLN A 954 -12.827 -8.391 -1.925 1.00 0.00 H new ATOM 0 HA GLN A 954 -11.054 -10.566 -1.614 1.00 0.00 H new ATOM 0 HB2 GLN A 954 -12.637 -10.155 -3.511 1.00 0.00 H new ATOM 0 HB3 GLN A 954 -11.633 -8.817 -4.035 1.00 0.00 H new ATOM 0 HG2 GLN A 954 -9.741 -10.368 -4.400 1.00 0.00 H new ATOM 0 HG3 GLN A 954 -10.724 -11.710 -3.849 1.00 0.00 H new ATOM 0 HE21 GLN A 954 -9.522 -11.259 -6.523 1.00 0.00 H new ATOM 0 HE22 GLN A 954 -10.894 -11.315 -7.635 1.00 0.00 H new ATOM 685 N SER A 955 -9.671 -7.680 -2.449 1.00 0.00 N ATOM 686 CA SER A 955 -8.403 -6.975 -2.540 1.00 0.00 C ATOM 687 C SER A 955 -7.783 -6.760 -1.161 1.00 0.00 C ATOM 688 O SER A 955 -6.570 -6.897 -0.995 1.00 0.00 O ATOM 689 CB SER A 955 -8.604 -5.634 -3.242 1.00 0.00 C ATOM 690 OG SER A 955 -9.261 -5.811 -4.486 1.00 0.00 O ATOM 0 H SER A 955 -10.487 -7.113 -2.677 1.00 0.00 H new ATOM 0 HA SER A 955 -7.715 -7.589 -3.122 1.00 0.00 H new ATOM 0 HB2 SER A 955 -9.191 -4.970 -2.607 1.00 0.00 H new ATOM 0 HB3 SER A 955 -7.639 -5.153 -3.400 1.00 0.00 H new ATOM 0 HG SER A 955 -10.215 -5.975 -4.332 1.00 0.00 H new ATOM 696 N CYS A 956 -8.615 -6.450 -0.169 1.00 0.00 N ATOM 697 CA CYS A 956 -8.118 -6.137 1.169 1.00 0.00 C ATOM 698 C CYS A 956 -7.408 -7.339 1.785 1.00 0.00 C ATOM 699 O CYS A 956 -6.486 -7.178 2.580 1.00 0.00 O ATOM 700 CB CYS A 956 -9.252 -5.659 2.084 1.00 0.00 C ATOM 701 SG CYS A 956 -10.404 -6.948 2.605 1.00 0.00 S ATOM 0 H CYS A 956 -9.630 -6.409 -0.265 1.00 0.00 H new ATOM 0 HA CYS A 956 -7.396 -5.326 1.069 1.00 0.00 H new ATOM 0 HB2 CYS A 956 -8.815 -5.203 2.972 1.00 0.00 H new ATOM 0 HB3 CYS A 956 -9.812 -4.879 1.567 1.00 0.00 H new ATOM 0 HG CYS A 956 -10.358 -7.938 1.763 1.00 0.00 H new ATOM 707 N LYS A 957 -7.828 -8.544 1.405 1.00 0.00 N ATOM 708 CA LYS A 957 -7.184 -9.755 1.897 1.00 0.00 C ATOM 709 C LYS A 957 -5.788 -9.891 1.310 1.00 0.00 C ATOM 710 O LYS A 957 -4.840 -10.231 2.015 1.00 0.00 O ATOM 711 CB LYS A 957 -8.008 -10.999 1.563 1.00 0.00 C ATOM 712 CG LYS A 957 -9.323 -11.092 2.318 1.00 0.00 C ATOM 713 CD LYS A 957 -10.005 -12.431 2.084 1.00 0.00 C ATOM 714 CE LYS A 957 -10.376 -12.628 0.622 1.00 0.00 C ATOM 715 NZ LYS A 957 -10.981 -13.964 0.382 1.00 0.00 N ATOM 0 H LYS A 957 -8.605 -8.705 0.764 1.00 0.00 H new ATOM 0 HA LYS A 957 -7.112 -9.672 2.981 1.00 0.00 H new ATOM 0 HB2 LYS A 957 -8.214 -11.009 0.493 1.00 0.00 H new ATOM 0 HB3 LYS A 957 -7.413 -11.886 1.781 1.00 0.00 H new ATOM 0 HG2 LYS A 957 -9.142 -10.956 3.384 1.00 0.00 H new ATOM 0 HG3 LYS A 957 -9.984 -10.285 2.001 1.00 0.00 H new ATOM 0 HD2 LYS A 957 -9.343 -13.236 2.403 1.00 0.00 H new ATOM 0 HD3 LYS A 957 -10.903 -12.494 2.699 1.00 0.00 H new ATOM 0 HE2 LYS A 957 -11.077 -11.851 0.317 1.00 0.00 H new ATOM 0 HE3 LYS A 957 -9.486 -12.515 0.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 957 -11.748 -13.878 -0.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 957 -10.255 -14.614 0.020 1.00 0.00 H new ATOM 0 HZ3 LYS A 957 -11.365 -14.337 1.274 1.00 0.00 H new ATOM 729 N ALA A 958 -5.667 -9.616 0.017 1.00 0.00 N ATOM 730 CA ALA A 958 -4.376 -9.670 -0.653 1.00 0.00 C ATOM 731 C ALA A 958 -3.437 -8.618 -0.071 1.00 0.00 C ATOM 732 O ALA A 958 -2.266 -8.893 0.193 1.00 0.00 O ATOM 733 CB ALA A 958 -4.548 -9.469 -2.151 1.00 0.00 C ATOM 0 H ALA A 958 -6.446 -9.354 -0.587 1.00 0.00 H new ATOM 0 HA ALA A 958 -3.936 -10.654 -0.489 1.00 0.00 H new ATOM 0 HB1 ALA A 958 -3.574 -9.512 -2.638 1.00 0.00 H new ATOM 0 HB2 ALA A 958 -5.189 -10.254 -2.552 1.00 0.00 H new ATOM 0 HB3 ALA A 958 -5.004 -8.497 -2.338 1.00 0.00 H new ATOM 739 N VAL A 959 -3.974 -7.425 0.149 1.00 0.00 N ATOM 740 CA VAL A 959 -3.211 -6.325 0.728 1.00 0.00 C ATOM 741 C VAL A 959 -2.787 -6.642 2.163 1.00 0.00 C ATOM 742 O VAL A 959 -1.647 -6.386 2.551 1.00 0.00 O ATOM 743 CB VAL A 959 -4.028 -5.015 0.708 1.00 0.00 C ATOM 744 CG1 VAL A 959 -3.278 -3.890 1.401 1.00 0.00 C ATOM 745 CG2 VAL A 959 -4.369 -4.624 -0.722 1.00 0.00 C ATOM 0 H VAL A 959 -4.943 -7.193 -0.067 1.00 0.00 H new ATOM 0 HA VAL A 959 -2.317 -6.195 0.119 1.00 0.00 H new ATOM 0 HB VAL A 959 -4.955 -5.188 1.255 1.00 0.00 H new ATOM 0 HG11 VAL A 959 -3.878 -2.980 1.371 1.00 0.00 H new ATOM 0 HG12 VAL A 959 -3.087 -4.165 2.438 1.00 0.00 H new ATOM 0 HG13 VAL A 959 -2.330 -3.716 0.891 1.00 0.00 H new ATOM 0 HG21 VAL A 959 -4.945 -3.699 -0.719 1.00 0.00 H new ATOM 0 HG22 VAL A 959 -3.449 -4.477 -1.288 1.00 0.00 H new ATOM 0 HG23 VAL A 959 -4.957 -5.416 -1.185 1.00 0.00 H new ATOM 755 N ALA A 960 -3.700 -7.226 2.935 1.00 0.00 N ATOM 756 CA ALA A 960 -3.446 -7.537 4.342 1.00 0.00 C ATOM 757 C ALA A 960 -2.273 -8.498 4.515 1.00 0.00 C ATOM 758 O ALA A 960 -1.643 -8.534 5.572 1.00 0.00 O ATOM 759 CB ALA A 960 -4.696 -8.117 4.989 1.00 0.00 C ATOM 0 H ALA A 960 -4.628 -7.495 2.609 1.00 0.00 H new ATOM 0 HA ALA A 960 -3.181 -6.603 4.837 1.00 0.00 H new ATOM 0 HB1 ALA A 960 -4.492 -8.344 6.036 1.00 0.00 H new ATOM 0 HB2 ALA A 960 -5.508 -7.392 4.926 1.00 0.00 H new ATOM 0 HB3 ALA A 960 -4.984 -9.031 4.469 1.00 0.00 H new ATOM 765 N GLU A 961 -1.979 -9.275 3.480 1.00 0.00 N ATOM 766 CA GLU A 961 -0.860 -10.209 3.527 1.00 0.00 C ATOM 767 C GLU A 961 0.447 -9.498 3.198 1.00 0.00 C ATOM 768 O GLU A 961 1.524 -9.940 3.595 1.00 0.00 O ATOM 769 CB GLU A 961 -1.066 -11.352 2.534 1.00 0.00 C ATOM 770 CG GLU A 961 -2.354 -12.128 2.735 1.00 0.00 C ATOM 771 CD GLU A 961 -2.465 -13.300 1.786 1.00 0.00 C ATOM 772 OE1 GLU A 961 -2.090 -13.149 0.602 1.00 0.00 O ATOM 773 OE2 GLU A 961 -2.901 -14.386 2.225 1.00 0.00 O ATOM 0 H GLU A 961 -2.497 -9.278 2.601 1.00 0.00 H new ATOM 0 HA GLU A 961 -0.810 -10.613 4.538 1.00 0.00 H new ATOM 0 HB2 GLU A 961 -1.054 -10.946 1.523 1.00 0.00 H new ATOM 0 HB3 GLU A 961 -0.225 -12.041 2.611 1.00 0.00 H new ATOM 0 HG2 GLU A 961 -2.403 -12.488 3.763 1.00 0.00 H new ATOM 0 HG3 GLU A 961 -3.205 -11.462 2.589 1.00 0.00 H new ATOM 780 N GLN A 962 0.342 -8.392 2.478 1.00 0.00 N ATOM 781 CA GLN A 962 1.515 -7.687 1.983 1.00 0.00 C ATOM 782 C GLN A 962 1.979 -6.615 2.967 1.00 0.00 C ATOM 783 O GLN A 962 3.147 -6.227 2.964 1.00 0.00 O ATOM 784 CB GLN A 962 1.212 -7.059 0.622 1.00 0.00 C ATOM 785 CG GLN A 962 0.795 -8.070 -0.436 1.00 0.00 C ATOM 786 CD GLN A 962 1.878 -9.089 -0.738 1.00 0.00 C ATOM 787 OE1 GLN A 962 3.070 -8.792 -0.670 1.00 0.00 O ATOM 788 NE2 GLN A 962 1.470 -10.303 -1.067 1.00 0.00 N ATOM 0 H GLN A 962 -0.547 -7.962 2.222 1.00 0.00 H new ATOM 0 HA GLN A 962 2.322 -8.411 1.874 1.00 0.00 H new ATOM 0 HB2 GLN A 962 0.418 -6.321 0.740 1.00 0.00 H new ATOM 0 HB3 GLN A 962 2.095 -6.524 0.273 1.00 0.00 H new ATOM 0 HG2 GLN A 962 -0.103 -8.590 -0.101 1.00 0.00 H new ATOM 0 HG3 GLN A 962 0.534 -7.542 -1.353 1.00 0.00 H new ATOM 0 HE21 GLN A 962 0.472 -10.511 -1.113 1.00 0.00 H new ATOM 0 HE22 GLN A 962 2.153 -11.032 -1.275 1.00 0.00 H new ATOM 797 N ILE A 963 1.064 -6.145 3.811 1.00 0.00 N ATOM 798 CA ILE A 963 1.386 -5.121 4.807 1.00 0.00 C ATOM 799 C ILE A 963 2.539 -5.555 5.725 1.00 0.00 C ATOM 800 O ILE A 963 3.534 -4.836 5.845 1.00 0.00 O ATOM 801 CB ILE A 963 0.155 -4.738 5.665 1.00 0.00 C ATOM 802 CG1 ILE A 963 -0.975 -4.220 4.774 1.00 0.00 C ATOM 803 CG2 ILE A 963 0.531 -3.691 6.707 1.00 0.00 C ATOM 804 CD1 ILE A 963 -2.246 -3.897 5.530 1.00 0.00 C ATOM 0 H ILE A 963 0.093 -6.456 3.827 1.00 0.00 H new ATOM 0 HA ILE A 963 1.702 -4.243 4.244 1.00 0.00 H new ATOM 0 HB ILE A 963 -0.192 -5.631 6.185 1.00 0.00 H new ATOM 0 HG12 ILE A 963 -0.634 -3.325 4.254 1.00 0.00 H new ATOM 0 HG13 ILE A 963 -1.196 -4.967 4.011 1.00 0.00 H new ATOM 0 HG21 ILE A 963 -0.348 -3.435 7.299 1.00 0.00 H new ATOM 0 HG22 ILE A 963 1.306 -4.091 7.361 1.00 0.00 H new ATOM 0 HG23 ILE A 963 0.904 -2.797 6.207 1.00 0.00 H new ATOM 0 HD11 ILE A 963 -3.002 -3.536 4.833 1.00 0.00 H new ATOM 0 HD12 ILE A 963 -2.611 -4.795 6.028 1.00 0.00 H new ATOM 0 HD13 ILE A 963 -2.041 -3.127 6.274 1.00 0.00 H new ATOM 816 N PRO A 964 2.445 -6.733 6.389 1.00 0.00 N ATOM 817 CA PRO A 964 3.525 -7.226 7.249 1.00 0.00 C ATOM 818 C PRO A 964 4.790 -7.532 6.456 1.00 0.00 C ATOM 819 O PRO A 964 5.894 -7.470 6.992 1.00 0.00 O ATOM 820 CB PRO A 964 2.957 -8.509 7.869 1.00 0.00 C ATOM 821 CG PRO A 964 1.485 -8.428 7.655 1.00 0.00 C ATOM 822 CD PRO A 964 1.301 -7.660 6.381 1.00 0.00 C ATOM 0 HA PRO A 964 3.818 -6.485 7.992 1.00 0.00 H new ATOM 0 HB2 PRO A 964 3.376 -9.395 7.393 1.00 0.00 H new ATOM 0 HB3 PRO A 964 3.198 -8.574 8.930 1.00 0.00 H new ATOM 0 HG2 PRO A 964 1.045 -9.422 7.579 1.00 0.00 H new ATOM 0 HG3 PRO A 964 0.995 -7.925 8.489 1.00 0.00 H new ATOM 0 HD2 PRO A 964 1.317 -8.314 5.509 1.00 0.00 H new ATOM 0 HD3 PRO A 964 0.350 -7.128 6.363 1.00 0.00 H new ATOM 830 N LEU A 965 4.624 -7.849 5.175 1.00 0.00 N ATOM 831 CA LEU A 965 5.758 -8.122 4.302 1.00 0.00 C ATOM 832 C LEU A 965 6.540 -6.847 4.023 1.00 0.00 C ATOM 833 O LEU A 965 7.771 -6.849 4.054 1.00 0.00 O ATOM 834 CB LEU A 965 5.295 -8.753 2.988 1.00 0.00 C ATOM 835 CG LEU A 965 4.715 -10.161 3.119 1.00 0.00 C ATOM 836 CD1 LEU A 965 4.334 -10.712 1.754 1.00 0.00 C ATOM 837 CD2 LEU A 965 5.713 -11.080 3.806 1.00 0.00 C ATOM 0 H LEU A 965 3.714 -7.923 4.720 1.00 0.00 H new ATOM 0 HA LEU A 965 6.412 -8.829 4.813 1.00 0.00 H new ATOM 0 HB2 LEU A 965 4.542 -8.106 2.537 1.00 0.00 H new ATOM 0 HB3 LEU A 965 6.140 -8.787 2.300 1.00 0.00 H new ATOM 0 HG LEU A 965 3.813 -10.109 3.729 1.00 0.00 H new ATOM 0 HD11 LEU A 965 3.923 -11.715 1.868 1.00 0.00 H new ATOM 0 HD12 LEU A 965 3.587 -10.064 1.296 1.00 0.00 H new ATOM 0 HD13 LEU A 965 5.218 -10.753 1.118 1.00 0.00 H new ATOM 0 HD21 LEU A 965 5.287 -12.080 3.893 1.00 0.00 H new ATOM 0 HD22 LEU A 965 6.630 -11.126 3.218 1.00 0.00 H new ATOM 0 HD23 LEU A 965 5.938 -10.694 4.800 1.00 0.00 H new ATOM 849 N LEU A 966 5.819 -5.763 3.755 1.00 0.00 N ATOM 850 CA LEU A 966 6.437 -4.455 3.568 1.00 0.00 C ATOM 851 C LEU A 966 7.306 -4.107 4.761 1.00 0.00 C ATOM 852 O LEU A 966 8.506 -3.899 4.628 1.00 0.00 O ATOM 853 CB LEU A 966 5.374 -3.370 3.404 1.00 0.00 C ATOM 854 CG LEU A 966 4.581 -3.403 2.104 1.00 0.00 C ATOM 855 CD1 LEU A 966 3.490 -2.349 2.147 1.00 0.00 C ATOM 856 CD2 LEU A 966 5.499 -3.174 0.912 1.00 0.00 C ATOM 0 H LEU A 966 4.803 -5.765 3.662 1.00 0.00 H new ATOM 0 HA LEU A 966 7.047 -4.503 2.666 1.00 0.00 H new ATOM 0 HB2 LEU A 966 4.674 -3.447 4.236 1.00 0.00 H new ATOM 0 HB3 LEU A 966 5.860 -2.398 3.485 1.00 0.00 H new ATOM 0 HG LEU A 966 4.122 -4.385 1.992 1.00 0.00 H new ATOM 0 HD11 LEU A 966 2.923 -2.374 1.216 1.00 0.00 H new ATOM 0 HD12 LEU A 966 2.822 -2.551 2.984 1.00 0.00 H new ATOM 0 HD13 LEU A 966 3.940 -1.364 2.272 1.00 0.00 H new ATOM 0 HD21 LEU A 966 4.915 -3.201 -0.008 1.00 0.00 H new ATOM 0 HD22 LEU A 966 5.982 -2.202 1.006 1.00 0.00 H new ATOM 0 HD23 LEU A 966 6.259 -3.955 0.882 1.00 0.00 H new ATOM 868 N VAL A 967 6.682 -4.076 5.930 1.00 0.00 N ATOM 869 CA VAL A 967 7.358 -3.690 7.158 1.00 0.00 C ATOM 870 C VAL A 967 8.478 -4.675 7.505 1.00 0.00 C ATOM 871 O VAL A 967 9.509 -4.285 8.058 1.00 0.00 O ATOM 872 CB VAL A 967 6.345 -3.573 8.317 1.00 0.00 C ATOM 873 CG1 VAL A 967 7.031 -3.158 9.609 1.00 0.00 C ATOM 874 CG2 VAL A 967 5.252 -2.577 7.949 1.00 0.00 C ATOM 0 H VAL A 967 5.698 -4.316 6.053 1.00 0.00 H new ATOM 0 HA VAL A 967 7.815 -2.713 7.002 1.00 0.00 H new ATOM 0 HB VAL A 967 5.896 -4.553 8.481 1.00 0.00 H new ATOM 0 HG11 VAL A 967 6.291 -3.084 10.406 1.00 0.00 H new ATOM 0 HG12 VAL A 967 7.781 -3.902 9.878 1.00 0.00 H new ATOM 0 HG13 VAL A 967 7.513 -2.190 9.470 1.00 0.00 H new ATOM 0 HG21 VAL A 967 4.540 -2.498 8.770 1.00 0.00 H new ATOM 0 HG22 VAL A 967 5.698 -1.600 7.761 1.00 0.00 H new ATOM 0 HG23 VAL A 967 4.735 -2.919 7.052 1.00 0.00 H new ATOM 884 N GLN A 968 8.280 -5.944 7.154 1.00 0.00 N ATOM 885 CA GLN A 968 9.328 -6.951 7.295 1.00 0.00 C ATOM 886 C GLN A 968 10.532 -6.562 6.445 1.00 0.00 C ATOM 887 O GLN A 968 11.677 -6.621 6.898 1.00 0.00 O ATOM 888 CB GLN A 968 8.812 -8.327 6.863 1.00 0.00 C ATOM 889 CG GLN A 968 9.857 -9.429 6.935 1.00 0.00 C ATOM 890 CD GLN A 968 9.375 -10.736 6.330 1.00 0.00 C ATOM 891 OE1 GLN A 968 8.079 -10.993 6.413 1.00 0.00 O flip ATOM 892 NE2 GLN A 968 10.165 -11.514 5.796 1.00 0.00 N flip ATOM 0 H GLN A 968 7.404 -6.299 6.770 1.00 0.00 H new ATOM 0 HA GLN A 968 9.624 -7.003 8.343 1.00 0.00 H new ATOM 0 HB2 GLN A 968 7.966 -8.601 7.493 1.00 0.00 H new ATOM 0 HB3 GLN A 968 8.439 -8.260 5.841 1.00 0.00 H new ATOM 0 HG2 GLN A 968 10.758 -9.104 6.415 1.00 0.00 H new ATOM 0 HG3 GLN A 968 10.132 -9.595 7.977 1.00 0.00 H new ATOM 0 HE21 GLN A 968 11.157 -11.282 5.751 1.00 0.00 H new ATOM 0 HE22 GLN A 968 9.828 -12.391 5.399 1.00 0.00 H new ATOM 901 N GLY A 969 10.251 -6.161 5.210 1.00 0.00 N ATOM 902 CA GLY A 969 11.292 -5.698 4.315 1.00 0.00 C ATOM 903 C GLY A 969 11.954 -4.433 4.821 1.00 0.00 C ATOM 904 O GLY A 969 13.179 -4.340 4.834 1.00 0.00 O ATOM 0 H GLY A 969 9.312 -6.149 4.811 1.00 0.00 H new ATOM 0 HA2 GLY A 969 12.044 -6.479 4.198 1.00 0.00 H new ATOM 0 HA3 GLY A 969 10.867 -5.515 3.328 1.00 0.00 H new ATOM 908 N VAL A 970 11.140 -3.468 5.247 1.00 0.00 N ATOM 909 CA VAL A 970 11.644 -2.204 5.788 1.00 0.00 C ATOM 910 C VAL A 970 12.613 -2.463 6.943 1.00 0.00 C ATOM 911 O VAL A 970 13.798 -2.146 6.855 1.00 0.00 O ATOM 912 CB VAL A 970 10.490 -1.295 6.288 1.00 0.00 C ATOM 913 CG1 VAL A 970 11.017 0.057 6.747 1.00 0.00 C ATOM 914 CG2 VAL A 970 9.433 -1.104 5.213 1.00 0.00 C ATOM 0 H VAL A 970 10.123 -3.537 5.228 1.00 0.00 H new ATOM 0 HA VAL A 970 12.164 -1.693 4.978 1.00 0.00 H new ATOM 0 HB VAL A 970 10.029 -1.796 7.139 1.00 0.00 H new ATOM 0 HG11 VAL A 970 10.187 0.673 7.092 1.00 0.00 H new ATOM 0 HG12 VAL A 970 11.726 -0.087 7.563 1.00 0.00 H new ATOM 0 HG13 VAL A 970 11.517 0.554 5.916 1.00 0.00 H new ATOM 0 HG21 VAL A 970 8.638 -0.463 5.594 1.00 0.00 H new ATOM 0 HG22 VAL A 970 9.885 -0.640 4.337 1.00 0.00 H new ATOM 0 HG23 VAL A 970 9.016 -2.072 4.936 1.00 0.00 H new ATOM 924 N ARG A 971 12.112 -3.089 8.004 1.00 0.00 N ATOM 925 CA ARG A 971 12.914 -3.345 9.201 1.00 0.00 C ATOM 926 C ARG A 971 14.134 -4.209 8.886 1.00 0.00 C ATOM 927 O ARG A 971 15.181 -4.077 9.522 1.00 0.00 O ATOM 928 CB ARG A 971 12.064 -4.016 10.284 1.00 0.00 C ATOM 929 CG ARG A 971 10.952 -3.129 10.818 1.00 0.00 C ATOM 930 CD ARG A 971 10.144 -3.833 11.896 1.00 0.00 C ATOM 931 NE ARG A 971 9.092 -2.975 12.439 1.00 0.00 N ATOM 932 CZ ARG A 971 8.065 -3.419 13.163 1.00 0.00 C ATOM 933 NH1 ARG A 971 7.919 -4.713 13.408 1.00 0.00 N ATOM 934 NH2 ARG A 971 7.168 -2.563 13.628 1.00 0.00 N ATOM 0 H ARG A 971 11.152 -3.430 8.061 1.00 0.00 H new ATOM 0 HA ARG A 971 13.268 -2.382 9.569 1.00 0.00 H new ATOM 0 HB2 ARG A 971 11.627 -4.928 9.878 1.00 0.00 H new ATOM 0 HB3 ARG A 971 12.710 -4.312 11.110 1.00 0.00 H new ATOM 0 HG2 ARG A 971 11.380 -2.212 11.224 1.00 0.00 H new ATOM 0 HG3 ARG A 971 10.293 -2.838 10.000 1.00 0.00 H new ATOM 0 HD2 ARG A 971 9.697 -4.737 11.482 1.00 0.00 H new ATOM 0 HD3 ARG A 971 10.809 -4.146 12.701 1.00 0.00 H new ATOM 0 HE ARG A 971 9.148 -1.974 12.252 1.00 0.00 H new ATOM 0 HH11 ARG A 971 8.597 -5.381 13.041 1.00 0.00 H new ATOM 0 HH12 ARG A 971 7.129 -5.041 13.963 1.00 0.00 H new ATOM 0 HH21 ARG A 971 7.264 -1.567 13.432 1.00 0.00 H new ATOM 0 HH22 ARG A 971 6.381 -2.900 14.182 1.00 0.00 H new ATOM 948 N GLY A 972 13.993 -5.088 7.902 1.00 0.00 N ATOM 949 CA GLY A 972 15.095 -5.946 7.509 1.00 0.00 C ATOM 950 C GLY A 972 16.178 -5.186 6.771 1.00 0.00 C ATOM 951 O GLY A 972 17.368 -5.423 6.983 1.00 0.00 O ATOM 0 H GLY A 972 13.134 -5.222 7.368 1.00 0.00 H new ATOM 0 HA2 GLY A 972 15.522 -6.415 8.396 1.00 0.00 H new ATOM 0 HA3 GLY A 972 14.720 -6.748 6.874 1.00 0.00 H new ATOM 955 N SER A 973 15.763 -4.261 5.918 1.00 0.00 N ATOM 956 CA SER A 973 16.691 -3.456 5.139 1.00 0.00 C ATOM 957 C SER A 973 17.445 -2.482 6.043 1.00 0.00 C ATOM 958 O SER A 973 18.601 -2.146 5.786 1.00 0.00 O ATOM 959 CB SER A 973 15.925 -2.708 4.044 1.00 0.00 C ATOM 960 OG SER A 973 15.196 -3.616 3.240 1.00 0.00 O ATOM 0 H SER A 973 14.780 -4.048 5.747 1.00 0.00 H new ATOM 0 HA SER A 973 17.426 -4.109 4.669 1.00 0.00 H new ATOM 0 HB2 SER A 973 15.245 -1.986 4.496 1.00 0.00 H new ATOM 0 HB3 SER A 973 16.622 -2.144 3.425 1.00 0.00 H new ATOM 0 HG SER A 973 14.323 -3.788 3.650 1.00 0.00 H new ATOM 966 N GLN A 974 16.782 -2.040 7.109 1.00 0.00 N ATOM 967 CA GLN A 974 17.417 -1.192 8.114 1.00 0.00 C ATOM 968 C GLN A 974 18.531 -1.952 8.820 1.00 0.00 C ATOM 969 O GLN A 974 19.633 -1.437 9.006 1.00 0.00 O ATOM 970 CB GLN A 974 16.396 -0.735 9.158 1.00 0.00 C ATOM 971 CG GLN A 974 15.179 -0.048 8.572 1.00 0.00 C ATOM 972 CD GLN A 974 14.177 0.365 9.632 1.00 0.00 C ATOM 973 OE1 GLN A 974 14.072 -0.258 10.690 1.00 0.00 O ATOM 974 NE2 GLN A 974 13.420 1.404 9.345 1.00 0.00 N ATOM 0 H GLN A 974 15.803 -2.256 7.299 1.00 0.00 H new ATOM 0 HA GLN A 974 17.830 -0.322 7.604 1.00 0.00 H new ATOM 0 HB2 GLN A 974 16.069 -1.600 9.734 1.00 0.00 H new ATOM 0 HB3 GLN A 974 16.884 -0.054 9.855 1.00 0.00 H new ATOM 0 HG2 GLN A 974 15.497 0.833 8.015 1.00 0.00 H new ATOM 0 HG3 GLN A 974 14.695 -0.718 7.861 1.00 0.00 H new ATOM 0 HE21 GLN A 974 13.539 1.892 8.457 1.00 0.00 H new ATOM 0 HE22 GLN A 974 12.715 1.720 10.010 1.00 0.00 H new ATOM 983 N ALA A 975 18.224 -3.182 9.214 1.00 0.00 N ATOM 984 CA ALA A 975 19.160 -4.007 9.961 1.00 0.00 C ATOM 985 C ALA A 975 20.308 -4.482 9.080 1.00 0.00 C ATOM 986 O ALA A 975 21.457 -4.556 9.523 1.00 0.00 O ATOM 987 CB ALA A 975 18.438 -5.195 10.575 1.00 0.00 C ATOM 0 H ALA A 975 17.327 -3.631 9.026 1.00 0.00 H new ATOM 0 HA ALA A 975 19.583 -3.397 10.759 1.00 0.00 H new ATOM 0 HB1 ALA A 975 19.149 -5.805 11.132 1.00 0.00 H new ATOM 0 HB2 ALA A 975 17.660 -4.839 11.250 1.00 0.00 H new ATOM 0 HB3 ALA A 975 17.986 -5.795 9.785 1.00 0.00 H new ATOM 993 N GLN A 976 19.995 -4.803 7.832 1.00 0.00 N ATOM 994 CA GLN A 976 20.992 -5.311 6.901 1.00 0.00 C ATOM 995 C GLN A 976 21.055 -4.447 5.641 1.00 0.00 C ATOM 996 O GLN A 976 20.417 -4.753 4.633 1.00 0.00 O ATOM 997 CB GLN A 976 20.674 -6.760 6.527 1.00 0.00 C ATOM 998 CG GLN A 976 20.626 -7.704 7.718 1.00 0.00 C ATOM 999 CD GLN A 976 20.205 -9.108 7.332 1.00 0.00 C ATOM 1000 OE1 GLN A 976 19.018 -9.442 7.349 1.00 0.00 O ATOM 1001 NE2 GLN A 976 21.171 -9.941 6.984 1.00 0.00 N ATOM 0 H GLN A 976 19.057 -4.720 7.441 1.00 0.00 H new ATOM 0 HA GLN A 976 21.965 -5.273 7.391 1.00 0.00 H new ATOM 0 HB2 GLN A 976 19.714 -6.790 6.012 1.00 0.00 H new ATOM 0 HB3 GLN A 976 21.425 -7.117 5.822 1.00 0.00 H new ATOM 0 HG2 GLN A 976 21.609 -7.740 8.189 1.00 0.00 H new ATOM 0 HG3 GLN A 976 19.931 -7.311 8.460 1.00 0.00 H new ATOM 0 HE21 GLN A 976 22.141 -9.625 6.983 1.00 0.00 H new ATOM 0 HE22 GLN A 976 20.946 -10.899 6.716 1.00 0.00 H new ATOM 1010 N PRO A 977 21.814 -3.344 5.688 1.00 0.00 N ATOM 1011 CA PRO A 977 21.967 -2.436 4.552 1.00 0.00 C ATOM 1012 C PRO A 977 22.947 -2.970 3.512 1.00 0.00 C ATOM 1013 O PRO A 977 22.993 -2.491 2.378 1.00 0.00 O ATOM 1014 CB PRO A 977 22.513 -1.143 5.185 1.00 0.00 C ATOM 1015 CG PRO A 977 22.530 -1.380 6.664 1.00 0.00 C ATOM 1016 CD PRO A 977 22.567 -2.868 6.850 1.00 0.00 C ATOM 0 HA PRO A 977 21.027 -2.298 4.019 1.00 0.00 H new ATOM 0 HB2 PRO A 977 23.514 -0.920 4.814 1.00 0.00 H new ATOM 0 HB3 PRO A 977 21.883 -0.290 4.934 1.00 0.00 H new ATOM 0 HG2 PRO A 977 23.399 -0.909 7.124 1.00 0.00 H new ATOM 0 HG3 PRO A 977 21.647 -0.951 7.137 1.00 0.00 H new ATOM 0 HD2 PRO A 977 23.587 -3.252 6.859 1.00 0.00 H new ATOM 0 HD3 PRO A 977 22.103 -3.173 7.788 1.00 0.00 H new ATOM 1024 N ASP A 978 23.737 -3.960 3.904 1.00 0.00 N ATOM 1025 CA ASP A 978 24.724 -4.547 3.006 1.00 0.00 C ATOM 1026 C ASP A 978 24.200 -5.834 2.381 1.00 0.00 C ATOM 1027 O ASP A 978 24.459 -6.116 1.213 1.00 0.00 O ATOM 1028 CB ASP A 978 26.026 -4.833 3.760 1.00 0.00 C ATOM 1029 CG ASP A 978 27.113 -5.391 2.858 1.00 0.00 C ATOM 1030 OD1 ASP A 978 27.195 -6.630 2.706 1.00 0.00 O ATOM 1031 OD2 ASP A 978 27.900 -4.593 2.308 1.00 0.00 O ATOM 0 H ASP A 978 23.714 -4.374 4.836 1.00 0.00 H new ATOM 0 HA ASP A 978 24.919 -3.829 2.209 1.00 0.00 H new ATOM 0 HB2 ASP A 978 26.382 -3.914 4.225 1.00 0.00 H new ATOM 0 HB3 ASP A 978 25.828 -5.541 4.564 1.00 0.00 H new ATOM 1036 N SER A 979 23.459 -6.605 3.165 1.00 0.00 N ATOM 1037 CA SER A 979 22.960 -7.899 2.724 1.00 0.00 C ATOM 1038 C SER A 979 21.909 -7.741 1.625 1.00 0.00 C ATOM 1039 O SER A 979 20.822 -7.205 1.861 1.00 0.00 O ATOM 1040 CB SER A 979 22.385 -8.657 3.917 1.00 0.00 C ATOM 1041 OG SER A 979 23.337 -8.723 4.968 1.00 0.00 O ATOM 0 H SER A 979 23.189 -6.354 4.116 1.00 0.00 H new ATOM 0 HA SER A 979 23.789 -8.469 2.304 1.00 0.00 H new ATOM 0 HB2 SER A 979 21.480 -8.162 4.268 1.00 0.00 H new ATOM 0 HB3 SER A 979 22.100 -9.664 3.613 1.00 0.00 H new ATOM 0 HG SER A 979 23.418 -9.649 5.278 1.00 0.00 H new ATOM 1047 N PRO A 980 22.226 -8.223 0.410 1.00 0.00 N ATOM 1048 CA PRO A 980 21.372 -8.057 -0.774 1.00 0.00 C ATOM 1049 C PRO A 980 19.966 -8.621 -0.592 1.00 0.00 C ATOM 1050 O PRO A 980 19.005 -8.081 -1.137 1.00 0.00 O ATOM 1051 CB PRO A 980 22.111 -8.827 -1.875 1.00 0.00 C ATOM 1052 CG PRO A 980 23.080 -9.706 -1.163 1.00 0.00 C ATOM 1053 CD PRO A 980 23.451 -8.975 0.093 1.00 0.00 C ATOM 0 HA PRO A 980 21.220 -7.001 -0.996 1.00 0.00 H new ATOM 0 HB2 PRO A 980 21.417 -9.414 -2.477 1.00 0.00 H new ATOM 0 HB3 PRO A 980 22.624 -8.146 -2.554 1.00 0.00 H new ATOM 0 HG2 PRO A 980 22.634 -10.674 -0.934 1.00 0.00 H new ATOM 0 HG3 PRO A 980 23.959 -9.897 -1.778 1.00 0.00 H new ATOM 0 HD2 PRO A 980 23.722 -9.662 0.895 1.00 0.00 H new ATOM 0 HD3 PRO A 980 24.303 -8.313 -0.062 1.00 0.00 H new ATOM 1061 N SER A 981 19.842 -9.694 0.181 1.00 0.00 N ATOM 1062 CA SER A 981 18.549 -10.338 0.376 1.00 0.00 C ATOM 1063 C SER A 981 17.595 -9.404 1.118 1.00 0.00 C ATOM 1064 O SER A 981 16.381 -9.458 0.921 1.00 0.00 O ATOM 1065 CB SER A 981 18.712 -11.653 1.139 1.00 0.00 C ATOM 1066 OG SER A 981 17.524 -12.427 1.096 1.00 0.00 O ATOM 0 H SER A 981 20.616 -10.134 0.680 1.00 0.00 H new ATOM 0 HA SER A 981 18.124 -10.560 -0.603 1.00 0.00 H new ATOM 0 HB2 SER A 981 19.536 -12.224 0.711 1.00 0.00 H new ATOM 0 HB3 SER A 981 18.974 -11.444 2.176 1.00 0.00 H new ATOM 0 HG SER A 981 17.659 -13.262 1.591 1.00 0.00 H new ATOM 1072 N ALA A 982 18.154 -8.533 1.953 1.00 0.00 N ATOM 1073 CA ALA A 982 17.357 -7.544 2.664 1.00 0.00 C ATOM 1074 C ALA A 982 16.859 -6.483 1.691 1.00 0.00 C ATOM 1075 O ALA A 982 15.690 -6.095 1.723 1.00 0.00 O ATOM 1076 CB ALA A 982 18.164 -6.913 3.787 1.00 0.00 C ATOM 0 H ALA A 982 19.154 -8.493 2.152 1.00 0.00 H new ATOM 0 HA ALA A 982 16.495 -8.040 3.110 1.00 0.00 H new ATOM 0 HB1 ALA A 982 17.551 -6.177 4.306 1.00 0.00 H new ATOM 0 HB2 ALA A 982 18.476 -7.686 4.490 1.00 0.00 H new ATOM 0 HB3 ALA A 982 19.045 -6.424 3.371 1.00 0.00 H new ATOM 1082 N GLN A 983 17.749 -6.033 0.810 1.00 0.00 N ATOM 1083 CA GLN A 983 17.372 -5.096 -0.242 1.00 0.00 C ATOM 1084 C GLN A 983 16.295 -5.706 -1.124 1.00 0.00 C ATOM 1085 O GLN A 983 15.263 -5.088 -1.374 1.00 0.00 O ATOM 1086 CB GLN A 983 18.579 -4.704 -1.101 1.00 0.00 C ATOM 1087 CG GLN A 983 19.445 -3.612 -0.495 1.00 0.00 C ATOM 1088 CD GLN A 983 20.198 -4.058 0.743 1.00 0.00 C ATOM 1089 OE1 GLN A 983 21.319 -4.556 0.652 1.00 0.00 O ATOM 1090 NE2 GLN A 983 19.596 -3.868 1.904 1.00 0.00 N ATOM 0 H GLN A 983 18.733 -6.302 0.804 1.00 0.00 H new ATOM 0 HA GLN A 983 16.987 -4.196 0.237 1.00 0.00 H new ATOM 0 HB2 GLN A 983 19.194 -5.588 -1.270 1.00 0.00 H new ATOM 0 HB3 GLN A 983 18.224 -4.372 -2.077 1.00 0.00 H new ATOM 0 HG2 GLN A 983 20.160 -3.269 -1.243 1.00 0.00 H new ATOM 0 HG3 GLN A 983 18.816 -2.759 -0.241 1.00 0.00 H new ATOM 0 HE21 GLN A 983 18.665 -3.451 1.934 1.00 0.00 H new ATOM 0 HE22 GLN A 983 20.062 -4.138 2.770 1.00 0.00 H new ATOM 1099 N LEU A 984 16.538 -6.932 -1.574 1.00 0.00 N ATOM 1100 CA LEU A 984 15.578 -7.652 -2.400 1.00 0.00 C ATOM 1101 C LEU A 984 14.258 -7.843 -1.663 1.00 0.00 C ATOM 1102 O LEU A 984 13.200 -7.880 -2.283 1.00 0.00 O ATOM 1103 CB LEU A 984 16.138 -9.012 -2.837 1.00 0.00 C ATOM 1104 CG LEU A 984 16.873 -9.027 -4.185 1.00 0.00 C ATOM 1105 CD1 LEU A 984 15.933 -8.607 -5.306 1.00 0.00 C ATOM 1106 CD2 LEU A 984 18.099 -8.126 -4.151 1.00 0.00 C ATOM 0 H LEU A 984 17.395 -7.449 -1.379 1.00 0.00 H new ATOM 0 HA LEU A 984 15.395 -7.050 -3.290 1.00 0.00 H new ATOM 0 HB2 LEU A 984 16.823 -9.367 -2.067 1.00 0.00 H new ATOM 0 HB3 LEU A 984 15.315 -9.725 -2.885 1.00 0.00 H new ATOM 0 HG LEU A 984 17.210 -10.046 -4.375 1.00 0.00 H new ATOM 0 HD11 LEU A 984 16.469 -8.623 -6.255 1.00 0.00 H new ATOM 0 HD12 LEU A 984 15.091 -9.298 -5.353 1.00 0.00 H new ATOM 0 HD13 LEU A 984 15.565 -7.599 -5.114 1.00 0.00 H new ATOM 0 HD21 LEU A 984 18.600 -8.156 -5.119 1.00 0.00 H new ATOM 0 HD22 LEU A 984 17.793 -7.103 -3.933 1.00 0.00 H new ATOM 0 HD23 LEU A 984 18.784 -8.473 -3.377 1.00 0.00 H new ATOM 1118 N ALA A 985 14.325 -7.956 -0.341 1.00 0.00 N ATOM 1119 CA ALA A 985 13.123 -8.085 0.472 1.00 0.00 C ATOM 1120 C ALA A 985 12.268 -6.828 0.369 1.00 0.00 C ATOM 1121 O ALA A 985 11.071 -6.908 0.102 1.00 0.00 O ATOM 1122 CB ALA A 985 13.478 -8.368 1.925 1.00 0.00 C ATOM 0 H ALA A 985 15.197 -7.961 0.189 1.00 0.00 H new ATOM 0 HA ALA A 985 12.547 -8.928 0.091 1.00 0.00 H new ATOM 0 HB1 ALA A 985 12.564 -8.460 2.512 1.00 0.00 H new ATOM 0 HB2 ALA A 985 14.044 -9.297 1.987 1.00 0.00 H new ATOM 0 HB3 ALA A 985 14.081 -7.549 2.318 1.00 0.00 H new ATOM 1128 N LEU A 986 12.894 -5.668 0.561 1.00 0.00 N ATOM 1129 CA LEU A 986 12.183 -4.398 0.474 1.00 0.00 C ATOM 1130 C LEU A 986 11.639 -4.196 -0.942 1.00 0.00 C ATOM 1131 O LEU A 986 10.458 -3.898 -1.132 1.00 0.00 O ATOM 1132 CB LEU A 986 13.104 -3.231 0.854 1.00 0.00 C ATOM 1133 CG LEU A 986 12.454 -2.128 1.707 1.00 0.00 C ATOM 1134 CD1 LEU A 986 13.445 -1.006 1.973 1.00 0.00 C ATOM 1135 CD2 LEU A 986 11.201 -1.579 1.042 1.00 0.00 C ATOM 0 H LEU A 986 13.887 -5.583 0.777 1.00 0.00 H new ATOM 0 HA LEU A 986 11.350 -4.422 1.177 1.00 0.00 H new ATOM 0 HB2 LEU A 986 13.961 -3.629 1.397 1.00 0.00 H new ATOM 0 HB3 LEU A 986 13.488 -2.780 -0.061 1.00 0.00 H new ATOM 0 HG LEU A 986 12.162 -2.573 2.658 1.00 0.00 H new ATOM 0 HD11 LEU A 986 12.968 -0.235 2.578 1.00 0.00 H new ATOM 0 HD12 LEU A 986 14.309 -1.402 2.506 1.00 0.00 H new ATOM 0 HD13 LEU A 986 13.770 -0.575 1.026 1.00 0.00 H new ATOM 0 HD21 LEU A 986 10.766 -0.802 1.671 1.00 0.00 H new ATOM 0 HD22 LEU A 986 11.459 -1.158 0.070 1.00 0.00 H new ATOM 0 HD23 LEU A 986 10.478 -2.384 0.908 1.00 0.00 H new ATOM 1147 N ILE A 987 12.509 -4.389 -1.930 1.00 0.00 N ATOM 1148 CA ILE A 987 12.157 -4.175 -3.332 1.00 0.00 C ATOM 1149 C ILE A 987 11.006 -5.085 -3.764 1.00 0.00 C ATOM 1150 O ILE A 987 10.004 -4.614 -4.307 1.00 0.00 O ATOM 1151 CB ILE A 987 13.377 -4.415 -4.255 1.00 0.00 C ATOM 1152 CG1 ILE A 987 14.539 -3.504 -3.844 1.00 0.00 C ATOM 1153 CG2 ILE A 987 13.003 -4.172 -5.714 1.00 0.00 C ATOM 1154 CD1 ILE A 987 15.850 -3.822 -4.536 1.00 0.00 C ATOM 0 H ILE A 987 13.471 -4.696 -1.784 1.00 0.00 H new ATOM 0 HA ILE A 987 11.837 -3.137 -3.426 1.00 0.00 H new ATOM 0 HB ILE A 987 13.691 -5.453 -4.150 1.00 0.00 H new ATOM 0 HG12 ILE A 987 14.269 -2.470 -4.058 1.00 0.00 H new ATOM 0 HG13 ILE A 987 14.682 -3.579 -2.766 1.00 0.00 H new ATOM 0 HG21 ILE A 987 13.874 -4.346 -6.347 1.00 0.00 H new ATOM 0 HG22 ILE A 987 12.203 -4.853 -6.003 1.00 0.00 H new ATOM 0 HG23 ILE A 987 12.665 -3.143 -5.836 1.00 0.00 H new ATOM 0 HD11 ILE A 987 16.620 -3.133 -4.190 1.00 0.00 H new ATOM 0 HD12 ILE A 987 16.146 -4.844 -4.302 1.00 0.00 H new ATOM 0 HD13 ILE A 987 15.727 -3.718 -5.614 1.00 0.00 H new ATOM 1166 N ALA A 988 11.142 -6.382 -3.502 1.00 0.00 N ATOM 1167 CA ALA A 988 10.134 -7.355 -3.911 1.00 0.00 C ATOM 1168 C ALA A 988 8.807 -7.108 -3.206 1.00 0.00 C ATOM 1169 O ALA A 988 7.750 -7.159 -3.834 1.00 0.00 O ATOM 1170 CB ALA A 988 10.616 -8.774 -3.649 1.00 0.00 C ATOM 0 H ALA A 988 11.940 -6.783 -3.009 1.00 0.00 H new ATOM 0 HA ALA A 988 9.975 -7.233 -4.982 1.00 0.00 H new ATOM 0 HB1 ALA A 988 9.849 -9.482 -3.961 1.00 0.00 H new ATOM 0 HB2 ALA A 988 11.531 -8.958 -4.213 1.00 0.00 H new ATOM 0 HB3 ALA A 988 10.814 -8.900 -2.585 1.00 0.00 H new ATOM 1176 N ALA A 989 8.865 -6.827 -1.907 1.00 0.00 N ATOM 1177 CA ALA A 989 7.659 -6.568 -1.127 1.00 0.00 C ATOM 1178 C ALA A 989 6.907 -5.363 -1.676 1.00 0.00 C ATOM 1179 O ALA A 989 5.681 -5.371 -1.755 1.00 0.00 O ATOM 1180 CB ALA A 989 8.002 -6.354 0.339 1.00 0.00 C ATOM 0 H ALA A 989 9.733 -6.773 -1.373 1.00 0.00 H new ATOM 0 HA ALA A 989 7.013 -7.442 -1.207 1.00 0.00 H new ATOM 0 HB1 ALA A 989 7.089 -6.163 0.902 1.00 0.00 H new ATOM 0 HB2 ALA A 989 8.491 -7.245 0.732 1.00 0.00 H new ATOM 0 HB3 ALA A 989 8.673 -5.500 0.435 1.00 0.00 H new ATOM 1186 N SER A 990 7.655 -4.342 -2.069 1.00 0.00 N ATOM 1187 CA SER A 990 7.072 -3.137 -2.641 1.00 0.00 C ATOM 1188 C SER A 990 6.292 -3.466 -3.913 1.00 0.00 C ATOM 1189 O SER A 990 5.129 -3.088 -4.057 1.00 0.00 O ATOM 1190 CB SER A 990 8.173 -2.120 -2.943 1.00 0.00 C ATOM 1191 OG SER A 990 8.905 -1.807 -1.769 1.00 0.00 O ATOM 0 H SER A 990 8.673 -4.325 -2.002 1.00 0.00 H new ATOM 0 HA SER A 990 6.379 -2.708 -1.917 1.00 0.00 H new ATOM 0 HB2 SER A 990 8.846 -2.520 -3.701 1.00 0.00 H new ATOM 0 HB3 SER A 990 7.733 -1.212 -3.355 1.00 0.00 H new ATOM 0 HG SER A 990 9.638 -2.448 -1.660 1.00 0.00 H new ATOM 1197 N GLN A 991 6.929 -4.199 -4.819 1.00 0.00 N ATOM 1198 CA GLN A 991 6.298 -4.591 -6.076 1.00 0.00 C ATOM 1199 C GLN A 991 5.119 -5.524 -5.818 1.00 0.00 C ATOM 1200 O GLN A 991 4.055 -5.393 -6.431 1.00 0.00 O ATOM 1201 CB GLN A 991 7.324 -5.274 -6.981 1.00 0.00 C ATOM 1202 CG GLN A 991 8.508 -4.387 -7.327 1.00 0.00 C ATOM 1203 CD GLN A 991 9.582 -5.115 -8.111 1.00 0.00 C ATOM 1204 OE1 GLN A 991 9.779 -6.320 -7.953 1.00 0.00 O ATOM 1205 NE2 GLN A 991 10.285 -4.385 -8.963 1.00 0.00 N ATOM 0 H GLN A 991 7.885 -4.535 -4.707 1.00 0.00 H new ATOM 0 HA GLN A 991 5.924 -3.696 -6.573 1.00 0.00 H new ATOM 0 HB2 GLN A 991 7.687 -6.177 -6.490 1.00 0.00 H new ATOM 0 HB3 GLN A 991 6.833 -5.588 -7.902 1.00 0.00 H new ATOM 0 HG2 GLN A 991 8.158 -3.533 -7.907 1.00 0.00 H new ATOM 0 HG3 GLN A 991 8.941 -3.993 -6.408 1.00 0.00 H new ATOM 0 HE21 GLN A 991 10.089 -3.389 -9.064 1.00 0.00 H new ATOM 0 HE22 GLN A 991 11.022 -4.819 -9.519 1.00 0.00 H new ATOM 1214 N SER A 992 5.311 -6.445 -4.882 1.00 0.00 N ATOM 1215 CA SER A 992 4.289 -7.417 -4.520 1.00 0.00 C ATOM 1216 C SER A 992 3.104 -6.737 -3.832 1.00 0.00 C ATOM 1217 O SER A 992 2.045 -7.338 -3.668 1.00 0.00 O ATOM 1218 CB SER A 992 4.895 -8.488 -3.605 1.00 0.00 C ATOM 1219 OG SER A 992 3.949 -9.492 -3.271 1.00 0.00 O ATOM 0 H SER A 992 6.178 -6.539 -4.354 1.00 0.00 H new ATOM 0 HA SER A 992 3.921 -7.889 -5.431 1.00 0.00 H new ATOM 0 HB2 SER A 992 5.752 -8.946 -4.099 1.00 0.00 H new ATOM 0 HB3 SER A 992 5.266 -8.020 -2.693 1.00 0.00 H new ATOM 0 HG SER A 992 3.701 -9.407 -2.327 1.00 0.00 H new ATOM 1225 N PHE A 993 3.291 -5.488 -3.426 1.00 0.00 N ATOM 1226 CA PHE A 993 2.225 -4.724 -2.798 1.00 0.00 C ATOM 1227 C PHE A 993 1.517 -3.845 -3.826 1.00 0.00 C ATOM 1228 O PHE A 993 0.311 -3.622 -3.739 1.00 0.00 O ATOM 1229 CB PHE A 993 2.788 -3.862 -1.666 1.00 0.00 C ATOM 1230 CG PHE A 993 1.739 -3.086 -0.921 1.00 0.00 C ATOM 1231 CD1 PHE A 993 1.010 -3.686 0.090 1.00 0.00 C ATOM 1232 CD2 PHE A 993 1.484 -1.764 -1.234 1.00 0.00 C ATOM 1233 CE1 PHE A 993 0.042 -2.981 0.775 1.00 0.00 C ATOM 1234 CE2 PHE A 993 0.518 -1.053 -0.551 1.00 0.00 C ATOM 1235 CZ PHE A 993 -0.204 -1.662 0.453 1.00 0.00 C ATOM 0 H PHE A 993 4.172 -4.983 -3.521 1.00 0.00 H new ATOM 0 HA PHE A 993 1.499 -5.423 -2.382 1.00 0.00 H new ATOM 0 HB2 PHE A 993 3.321 -4.503 -0.964 1.00 0.00 H new ATOM 0 HB3 PHE A 993 3.518 -3.166 -2.079 1.00 0.00 H new ATOM 0 HD1 PHE A 993 1.201 -4.718 0.346 1.00 0.00 H new ATOM 0 HD2 PHE A 993 2.046 -1.283 -2.021 1.00 0.00 H new ATOM 0 HE1 PHE A 993 -0.522 -3.460 1.561 1.00 0.00 H new ATOM 0 HE2 PHE A 993 0.328 -0.020 -0.803 1.00 0.00 H new ATOM 0 HZ PHE A 993 -0.961 -1.107 0.987 1.00 0.00 H new ATOM 1245 N LEU A 994 2.279 -3.360 -4.801 1.00 0.00 N ATOM 1246 CA LEU A 994 1.758 -2.460 -5.828 1.00 0.00 C ATOM 1247 C LEU A 994 0.569 -3.064 -6.568 1.00 0.00 C ATOM 1248 O LEU A 994 -0.483 -2.432 -6.688 1.00 0.00 O ATOM 1249 CB LEU A 994 2.857 -2.117 -6.838 1.00 0.00 C ATOM 1250 CG LEU A 994 4.010 -1.272 -6.297 1.00 0.00 C ATOM 1251 CD1 LEU A 994 5.128 -1.195 -7.321 1.00 0.00 C ATOM 1252 CD2 LEU A 994 3.523 0.122 -5.932 1.00 0.00 C ATOM 0 H LEU A 994 3.270 -3.577 -4.903 1.00 0.00 H new ATOM 0 HA LEU A 994 1.420 -1.556 -5.321 1.00 0.00 H new ATOM 0 HB2 LEU A 994 3.266 -3.047 -7.233 1.00 0.00 H new ATOM 0 HB3 LEU A 994 2.403 -1.587 -7.676 1.00 0.00 H new ATOM 0 HG LEU A 994 4.397 -1.746 -5.395 1.00 0.00 H new ATOM 0 HD11 LEU A 994 5.944 -0.591 -6.924 1.00 0.00 H new ATOM 0 HD12 LEU A 994 5.493 -2.199 -7.538 1.00 0.00 H new ATOM 0 HD13 LEU A 994 4.752 -0.740 -8.237 1.00 0.00 H new ATOM 0 HD21 LEU A 994 4.357 0.710 -5.549 1.00 0.00 H new ATOM 0 HD22 LEU A 994 3.113 0.608 -6.818 1.00 0.00 H new ATOM 0 HD23 LEU A 994 2.749 0.049 -5.168 1.00 0.00 H new ATOM 1264 N GLN A 995 0.738 -4.289 -7.053 1.00 0.00 N ATOM 1265 CA GLN A 995 -0.278 -4.933 -7.884 1.00 0.00 C ATOM 1266 C GLN A 995 -1.611 -5.145 -7.138 1.00 0.00 C ATOM 1267 O GLN A 995 -2.653 -4.694 -7.615 1.00 0.00 O ATOM 1268 CB GLN A 995 0.243 -6.261 -8.448 1.00 0.00 C ATOM 1269 CG GLN A 995 -0.727 -6.926 -9.409 1.00 0.00 C ATOM 1270 CD GLN A 995 -0.985 -6.100 -10.660 1.00 0.00 C ATOM 1271 OE1 GLN A 995 -2.095 -6.097 -11.195 1.00 0.00 O ATOM 1272 NE2 GLN A 995 0.038 -5.419 -11.150 1.00 0.00 N ATOM 0 H GLN A 995 1.568 -4.858 -6.886 1.00 0.00 H new ATOM 0 HA GLN A 995 -0.484 -4.253 -8.711 1.00 0.00 H new ATOM 0 HB2 GLN A 995 1.188 -6.084 -8.961 1.00 0.00 H new ATOM 0 HB3 GLN A 995 0.451 -6.942 -7.623 1.00 0.00 H new ATOM 0 HG2 GLN A 995 -0.333 -7.900 -9.698 1.00 0.00 H new ATOM 0 HG3 GLN A 995 -1.672 -7.104 -8.897 1.00 0.00 H new ATOM 0 HE21 GLN A 995 0.942 -5.447 -10.678 1.00 0.00 H new ATOM 0 HE22 GLN A 995 -0.077 -4.866 -12.000 1.00 0.00 H new ATOM 1281 N PRO A 996 -1.624 -5.842 -5.977 1.00 0.00 N ATOM 1282 CA PRO A 996 -2.862 -6.058 -5.221 1.00 0.00 C ATOM 1283 C PRO A 996 -3.357 -4.782 -4.545 1.00 0.00 C ATOM 1284 O PRO A 996 -4.563 -4.561 -4.425 1.00 0.00 O ATOM 1285 CB PRO A 996 -2.474 -7.105 -4.177 1.00 0.00 C ATOM 1286 CG PRO A 996 -1.007 -6.934 -3.994 1.00 0.00 C ATOM 1287 CD PRO A 996 -0.466 -6.488 -5.327 1.00 0.00 C ATOM 0 HA PRO A 996 -3.681 -6.374 -5.867 1.00 0.00 H new ATOM 0 HB2 PRO A 996 -3.010 -6.948 -3.241 1.00 0.00 H new ATOM 0 HB3 PRO A 996 -2.715 -8.112 -4.518 1.00 0.00 H new ATOM 0 HG2 PRO A 996 -0.795 -6.195 -3.221 1.00 0.00 H new ATOM 0 HG3 PRO A 996 -0.543 -7.868 -3.678 1.00 0.00 H new ATOM 0 HD2 PRO A 996 0.366 -5.794 -5.209 1.00 0.00 H new ATOM 0 HD3 PRO A 996 -0.097 -7.331 -5.912 1.00 0.00 H new ATOM 1295 N GLY A 997 -2.420 -3.943 -4.115 1.00 0.00 N ATOM 1296 CA GLY A 997 -2.775 -2.696 -3.469 1.00 0.00 C ATOM 1297 C GLY A 997 -3.509 -1.767 -4.408 1.00 0.00 C ATOM 1298 O GLY A 997 -4.481 -1.119 -4.016 1.00 0.00 O ATOM 0 H GLY A 997 -1.417 -4.107 -4.204 1.00 0.00 H new ATOM 0 HA2 GLY A 997 -3.399 -2.902 -2.600 1.00 0.00 H new ATOM 0 HA3 GLY A 997 -1.872 -2.206 -3.104 1.00 0.00 H new ATOM 1302 N GLY A 998 -3.052 -1.720 -5.656 1.00 0.00 N ATOM 1303 CA GLY A 998 -3.694 -0.889 -6.656 1.00 0.00 C ATOM 1304 C GLY A 998 -5.130 -1.296 -6.900 1.00 0.00 C ATOM 1305 O GLY A 998 -5.986 -0.454 -7.177 1.00 0.00 O ATOM 0 H GLY A 998 -2.245 -2.245 -5.992 1.00 0.00 H new ATOM 0 HA2 GLY A 998 -3.663 0.152 -6.335 1.00 0.00 H new ATOM 0 HA3 GLY A 998 -3.136 -0.952 -7.591 1.00 0.00 H new ATOM 1309 N LYS A 999 -5.404 -2.590 -6.772 1.00 0.00 N ATOM 1310 CA LYS A 999 -6.752 -3.102 -6.972 1.00 0.00 C ATOM 1311 C LYS A 999 -7.677 -2.639 -5.857 1.00 0.00 C ATOM 1312 O LYS A 999 -8.860 -2.400 -6.089 1.00 0.00 O ATOM 1313 CB LYS A 999 -6.757 -4.629 -7.054 1.00 0.00 C ATOM 1314 CG LYS A 999 -5.998 -5.176 -8.249 1.00 0.00 C ATOM 1315 CD LYS A 999 -6.254 -6.661 -8.434 1.00 0.00 C ATOM 1316 CE LYS A 999 -5.473 -7.220 -9.610 1.00 0.00 C ATOM 1317 NZ LYS A 999 -4.008 -7.159 -9.378 1.00 0.00 N ATOM 0 H LYS A 999 -4.712 -3.300 -6.532 1.00 0.00 H new ATOM 0 HA LYS A 999 -7.117 -2.705 -7.919 1.00 0.00 H new ATOM 0 HB2 LYS A 999 -6.322 -5.035 -6.141 1.00 0.00 H new ATOM 0 HB3 LYS A 999 -7.788 -4.979 -7.098 1.00 0.00 H new ATOM 0 HG2 LYS A 999 -6.297 -4.639 -9.149 1.00 0.00 H new ATOM 0 HG3 LYS A 999 -4.930 -5.003 -8.114 1.00 0.00 H new ATOM 0 HD2 LYS A 999 -5.976 -7.195 -7.525 1.00 0.00 H new ATOM 0 HD3 LYS A 999 -7.319 -6.831 -8.590 1.00 0.00 H new ATOM 0 HE2 LYS A 999 -5.770 -8.254 -9.785 1.00 0.00 H new ATOM 0 HE3 LYS A 999 -5.722 -6.659 -10.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 999 -3.558 -6.617 -10.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 999 -3.820 -6.694 -8.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 999 -3.619 -8.123 -9.361 1.00 0.00 H new ATOM 1331 N MET A1000 -7.138 -2.484 -4.652 1.00 0.00 N ATOM 1332 CA MET A1000 -7.950 -2.043 -3.533 1.00 0.00 C ATOM 1333 C MET A1000 -8.191 -0.546 -3.648 1.00 0.00 C ATOM 1334 O MET A1000 -9.237 -0.045 -3.243 1.00 0.00 O ATOM 1335 CB MET A1000 -7.292 -2.383 -2.194 1.00 0.00 C ATOM 1336 CG MET A1000 -8.245 -2.266 -1.013 1.00 0.00 C ATOM 1337 SD MET A1000 -7.497 -2.771 0.546 1.00 0.00 S ATOM 1338 CE MET A1000 -6.264 -1.493 0.753 1.00 0.00 C ATOM 0 H MET A1000 -6.157 -2.655 -4.431 1.00 0.00 H new ATOM 0 HA MET A1000 -8.904 -2.569 -3.566 1.00 0.00 H new ATOM 0 HB2 MET A1000 -6.899 -3.399 -2.237 1.00 0.00 H new ATOM 0 HB3 MET A1000 -6.442 -1.719 -2.035 1.00 0.00 H new ATOM 0 HG2 MET A1000 -8.586 -1.234 -0.929 1.00 0.00 H new ATOM 0 HG3 MET A1000 -9.127 -2.879 -1.202 1.00 0.00 H new ATOM 0 HE1 MET A1000 -6.029 -1.382 1.812 1.00 0.00 H new ATOM 0 HE2 MET A1000 -5.361 -1.767 0.208 1.00 0.00 H new ATOM 0 HE3 MET A1000 -6.649 -0.550 0.366 1.00 0.00 H new ATOM 1348 N VAL A1001 -7.219 0.160 -4.219 1.00 0.00 N ATOM 1349 CA VAL A1001 -7.384 1.573 -4.528 1.00 0.00 C ATOM 1350 C VAL A1001 -8.490 1.746 -5.565 1.00 0.00 C ATOM 1351 O VAL A1001 -9.395 2.562 -5.396 1.00 0.00 O ATOM 1352 CB VAL A1001 -6.080 2.203 -5.067 1.00 0.00 C ATOM 1353 CG1 VAL A1001 -6.269 3.683 -5.360 1.00 0.00 C ATOM 1354 CG2 VAL A1001 -4.938 2.004 -4.086 1.00 0.00 C ATOM 0 H VAL A1001 -6.310 -0.225 -4.476 1.00 0.00 H new ATOM 0 HA VAL A1001 -7.648 2.083 -3.602 1.00 0.00 H new ATOM 0 HB VAL A1001 -5.829 1.698 -6.000 1.00 0.00 H new ATOM 0 HG11 VAL A1001 -5.336 4.101 -5.738 1.00 0.00 H new ATOM 0 HG12 VAL A1001 -7.052 3.809 -6.108 1.00 0.00 H new ATOM 0 HG13 VAL A1001 -6.555 4.202 -4.445 1.00 0.00 H new ATOM 0 HG21 VAL A1001 -4.031 2.456 -4.487 1.00 0.00 H new ATOM 0 HG22 VAL A1001 -5.188 2.475 -3.136 1.00 0.00 H new ATOM 0 HG23 VAL A1001 -4.774 0.938 -3.930 1.00 0.00 H new ATOM 1364 N ALA A1002 -8.415 0.954 -6.630 1.00 0.00 N ATOM 1365 CA ALA A1002 -9.425 0.979 -7.681 1.00 0.00 C ATOM 1366 C ALA A1002 -10.796 0.604 -7.127 1.00 0.00 C ATOM 1367 O ALA A1002 -11.801 1.239 -7.454 1.00 0.00 O ATOM 1368 CB ALA A1002 -9.034 0.040 -8.812 1.00 0.00 C ATOM 0 H ALA A1002 -7.662 0.285 -6.788 1.00 0.00 H new ATOM 0 HA ALA A1002 -9.484 1.994 -8.074 1.00 0.00 H new ATOM 0 HB1 ALA A1002 -9.797 0.069 -9.589 1.00 0.00 H new ATOM 0 HB2 ALA A1002 -8.078 0.353 -9.231 1.00 0.00 H new ATOM 0 HB3 ALA A1002 -8.946 -0.976 -8.427 1.00 0.00 H new ATOM 1374 N ALA A1003 -10.827 -0.427 -6.287 1.00 0.00 N ATOM 1375 CA ALA A1003 -12.061 -0.858 -5.640 1.00 0.00 C ATOM 1376 C ALA A1003 -12.626 0.249 -4.758 1.00 0.00 C ATOM 1377 O ALA A1003 -13.832 0.490 -4.741 1.00 0.00 O ATOM 1378 CB ALA A1003 -11.817 -2.116 -4.815 1.00 0.00 C ATOM 0 H ALA A1003 -10.008 -0.981 -6.038 1.00 0.00 H new ATOM 0 HA ALA A1003 -12.791 -1.084 -6.417 1.00 0.00 H new ATOM 0 HB1 ALA A1003 -12.747 -2.425 -4.339 1.00 0.00 H new ATOM 0 HB2 ALA A1003 -11.460 -2.914 -5.466 1.00 0.00 H new ATOM 0 HB3 ALA A1003 -11.069 -1.910 -4.050 1.00 0.00 H new ATOM 1384 N ALA A1004 -11.745 0.926 -4.031 1.00 0.00 N ATOM 1385 CA ALA A1004 -12.151 2.024 -3.165 1.00 0.00 C ATOM 1386 C ALA A1004 -12.700 3.186 -3.989 1.00 0.00 C ATOM 1387 O ALA A1004 -13.761 3.722 -3.686 1.00 0.00 O ATOM 1388 CB ALA A1004 -10.986 2.478 -2.298 1.00 0.00 C ATOM 0 H ALA A1004 -10.744 0.733 -4.025 1.00 0.00 H new ATOM 0 HA ALA A1004 -12.946 1.669 -2.509 1.00 0.00 H new ATOM 0 HB1 ALA A1004 -11.308 3.299 -1.657 1.00 0.00 H new ATOM 0 HB2 ALA A1004 -10.647 1.647 -1.680 1.00 0.00 H new ATOM 0 HB3 ALA A1004 -10.168 2.814 -2.935 1.00 0.00 H new ATOM 1394 N LYS A1005 -11.987 3.549 -5.050 1.00 0.00 N ATOM 1395 CA LYS A1005 -12.413 4.640 -5.927 1.00 0.00 C ATOM 1396 C LYS A1005 -13.767 4.346 -6.560 1.00 0.00 C ATOM 1397 O LYS A1005 -14.519 5.260 -6.892 1.00 0.00 O ATOM 1398 CB LYS A1005 -11.385 4.882 -7.036 1.00 0.00 C ATOM 1399 CG LYS A1005 -10.061 5.437 -6.539 1.00 0.00 C ATOM 1400 CD LYS A1005 -9.122 5.750 -7.692 1.00 0.00 C ATOM 1401 CE LYS A1005 -7.799 6.313 -7.200 1.00 0.00 C ATOM 1402 NZ LYS A1005 -6.894 6.674 -8.325 1.00 0.00 N ATOM 0 H LYS A1005 -11.111 3.105 -5.326 1.00 0.00 H new ATOM 0 HA LYS A1005 -12.497 5.534 -5.308 1.00 0.00 H new ATOM 0 HB2 LYS A1005 -11.201 3.943 -7.558 1.00 0.00 H new ATOM 0 HB3 LYS A1005 -11.807 5.574 -7.764 1.00 0.00 H new ATOM 0 HG2 LYS A1005 -10.239 6.342 -5.958 1.00 0.00 H new ATOM 0 HG3 LYS A1005 -9.591 4.716 -5.870 1.00 0.00 H new ATOM 0 HD2 LYS A1005 -8.940 4.844 -8.270 1.00 0.00 H new ATOM 0 HD3 LYS A1005 -9.596 6.466 -8.363 1.00 0.00 H new ATOM 0 HE2 LYS A1005 -7.986 7.195 -6.588 1.00 0.00 H new ATOM 0 HE3 LYS A1005 -7.308 5.579 -6.561 1.00 0.00 H new ATOM 0 HZ1 LYS A1005 -6.003 7.054 -7.946 1.00 0.00 H new ATOM 0 HZ2 LYS A1005 -6.694 5.828 -8.895 1.00 0.00 H new ATOM 0 HZ3 LYS A1005 -7.351 7.393 -8.921 1.00 0.00 H new ATOM 1416 N ALA A1006 -14.071 3.068 -6.726 1.00 0.00 N ATOM 1417 CA ALA A1006 -15.309 2.654 -7.362 1.00 0.00 C ATOM 1418 C ALA A1006 -16.446 2.524 -6.353 1.00 0.00 C ATOM 1419 O ALA A1006 -17.617 2.642 -6.711 1.00 0.00 O ATOM 1420 CB ALA A1006 -15.098 1.344 -8.095 1.00 0.00 C ATOM 0 H ALA A1006 -13.473 2.297 -6.427 1.00 0.00 H new ATOM 0 HA ALA A1006 -15.595 3.425 -8.077 1.00 0.00 H new ATOM 0 HB1 ALA A1006 -16.030 1.039 -8.570 1.00 0.00 H new ATOM 0 HB2 ALA A1006 -14.328 1.473 -8.856 1.00 0.00 H new ATOM 0 HB3 ALA A1006 -14.784 0.577 -7.387 1.00 0.00 H new ATOM 1426 N SER A1007 -16.102 2.291 -5.094 1.00 0.00 N ATOM 1427 CA SER A1007 -17.108 2.098 -4.062 1.00 0.00 C ATOM 1428 C SER A1007 -17.539 3.425 -3.442 1.00 0.00 C ATOM 1429 O SER A1007 -18.694 3.577 -3.048 1.00 0.00 O ATOM 1430 CB SER A1007 -16.594 1.136 -2.988 1.00 0.00 C ATOM 1431 OG SER A1007 -15.263 1.446 -2.619 1.00 0.00 O ATOM 0 H SER A1007 -15.138 2.231 -4.765 1.00 0.00 H new ATOM 0 HA SER A1007 -17.987 1.657 -4.532 1.00 0.00 H new ATOM 0 HB2 SER A1007 -17.239 1.188 -2.111 1.00 0.00 H new ATOM 0 HB3 SER A1007 -16.642 0.112 -3.359 1.00 0.00 H new ATOM 0 HG SER A1007 -14.644 1.058 -3.272 1.00 0.00 H new ATOM 1437 N VAL A1008 -16.619 4.388 -3.381 1.00 0.00 N ATOM 1438 CA VAL A1008 -16.918 5.711 -2.818 1.00 0.00 C ATOM 1439 C VAL A1008 -18.200 6.325 -3.411 1.00 0.00 C ATOM 1440 O VAL A1008 -19.105 6.687 -2.661 1.00 0.00 O ATOM 1441 CB VAL A1008 -15.740 6.700 -3.004 1.00 0.00 C ATOM 1442 CG1 VAL A1008 -16.127 8.103 -2.558 1.00 0.00 C ATOM 1443 CG2 VAL A1008 -14.519 6.229 -2.234 1.00 0.00 C ATOM 0 H VAL A1008 -15.661 4.280 -3.713 1.00 0.00 H new ATOM 0 HA VAL A1008 -17.076 5.548 -1.752 1.00 0.00 H new ATOM 0 HB VAL A1008 -15.497 6.731 -4.066 1.00 0.00 H new ATOM 0 HG11 VAL A1008 -15.281 8.776 -2.700 1.00 0.00 H new ATOM 0 HG12 VAL A1008 -16.972 8.453 -3.150 1.00 0.00 H new ATOM 0 HG13 VAL A1008 -16.405 8.086 -1.504 1.00 0.00 H new ATOM 0 HG21 VAL A1008 -13.703 6.937 -2.378 1.00 0.00 H new ATOM 0 HG22 VAL A1008 -14.761 6.164 -1.173 1.00 0.00 H new ATOM 0 HG23 VAL A1008 -14.216 5.247 -2.598 1.00 0.00 H new ATOM 1453 N PRO A1009 -18.314 6.449 -4.753 1.00 0.00 N ATOM 1454 CA PRO A1009 -19.492 7.063 -5.375 1.00 0.00 C ATOM 1455 C PRO A1009 -20.759 6.220 -5.219 1.00 0.00 C ATOM 1456 O PRO A1009 -21.869 6.738 -5.319 1.00 0.00 O ATOM 1457 CB PRO A1009 -19.105 7.182 -6.851 1.00 0.00 C ATOM 1458 CG PRO A1009 -18.070 6.135 -7.060 1.00 0.00 C ATOM 1459 CD PRO A1009 -17.323 6.026 -5.763 1.00 0.00 C ATOM 0 HA PRO A1009 -19.735 8.017 -4.906 1.00 0.00 H new ATOM 0 HB2 PRO A1009 -19.966 7.021 -7.500 1.00 0.00 H new ATOM 0 HB3 PRO A1009 -18.715 8.174 -7.079 1.00 0.00 H new ATOM 0 HG2 PRO A1009 -18.527 5.183 -7.328 1.00 0.00 H new ATOM 0 HG3 PRO A1009 -17.399 6.407 -7.875 1.00 0.00 H new ATOM 0 HD2 PRO A1009 -16.978 5.008 -5.584 1.00 0.00 H new ATOM 0 HD3 PRO A1009 -16.442 6.668 -5.753 1.00 0.00 H new ATOM 1467 N THR A1010 -20.598 4.927 -4.971 1.00 0.00 N ATOM 1468 CA THR A1010 -21.745 4.038 -4.847 1.00 0.00 C ATOM 1469 C THR A1010 -22.262 3.992 -3.411 1.00 0.00 C ATOM 1470 O THR A1010 -23.404 3.601 -3.166 1.00 0.00 O ATOM 1471 CB THR A1010 -21.414 2.610 -5.329 1.00 0.00 C ATOM 1472 OG1 THR A1010 -20.274 2.092 -4.629 1.00 0.00 O ATOM 1473 CG2 THR A1010 -21.137 2.604 -6.824 1.00 0.00 C ATOM 0 H THR A1010 -19.692 4.473 -4.853 1.00 0.00 H new ATOM 0 HA THR A1010 -22.527 4.445 -5.487 1.00 0.00 H new ATOM 0 HB THR A1010 -22.276 1.976 -5.122 1.00 0.00 H new ATOM 0 HG1 THR A1010 -19.965 2.752 -3.974 1.00 0.00 H new ATOM 0 HG21 THR A1010 -20.905 1.589 -7.147 1.00 0.00 H new ATOM 0 HG22 THR A1010 -22.017 2.963 -7.358 1.00 0.00 H new ATOM 0 HG23 THR A1010 -20.290 3.256 -7.040 1.00 0.00 H new ATOM 1481 N ILE A1011 -21.427 4.407 -2.468 1.00 0.00 N ATOM 1482 CA ILE A1011 -21.812 4.415 -1.066 1.00 0.00 C ATOM 1483 C ILE A1011 -22.435 5.756 -0.697 1.00 0.00 C ATOM 1484 O ILE A1011 -21.804 6.807 -0.824 1.00 0.00 O ATOM 1485 CB ILE A1011 -20.606 4.120 -0.144 1.00 0.00 C ATOM 1486 CG1 ILE A1011 -20.038 2.734 -0.452 1.00 0.00 C ATOM 1487 CG2 ILE A1011 -21.011 4.213 1.321 1.00 0.00 C ATOM 1488 CD1 ILE A1011 -18.773 2.409 0.312 1.00 0.00 C ATOM 0 H ILE A1011 -20.481 4.742 -2.649 1.00 0.00 H new ATOM 0 HA ILE A1011 -22.548 3.624 -0.920 1.00 0.00 H new ATOM 0 HB ILE A1011 -19.836 4.868 -0.332 1.00 0.00 H new ATOM 0 HG12 ILE A1011 -20.793 1.983 -0.222 1.00 0.00 H new ATOM 0 HG13 ILE A1011 -19.834 2.664 -1.520 1.00 0.00 H new ATOM 0 HG21 ILE A1011 -20.147 4.002 1.951 1.00 0.00 H new ATOM 0 HG22 ILE A1011 -21.379 5.217 1.534 1.00 0.00 H new ATOM 0 HG23 ILE A1011 -21.797 3.487 1.528 1.00 0.00 H new ATOM 0 HD11 ILE A1011 -18.431 1.410 0.041 1.00 0.00 H new ATOM 0 HD12 ILE A1011 -18.001 3.137 0.064 1.00 0.00 H new ATOM 0 HD13 ILE A1011 -18.975 2.445 1.382 1.00 0.00 H new ATOM 1500 N GLN A1012 -23.682 5.711 -0.256 1.00 0.00 N ATOM 1501 CA GLN A1012 -24.416 6.917 0.097 1.00 0.00 C ATOM 1502 C GLN A1012 -24.040 7.400 1.490 1.00 0.00 C ATOM 1503 O GLN A1012 -24.326 8.539 1.859 1.00 0.00 O ATOM 1504 CB GLN A1012 -25.919 6.664 0.009 1.00 0.00 C ATOM 1505 CG GLN A1012 -26.404 6.434 -1.411 1.00 0.00 C ATOM 1506 CD GLN A1012 -26.205 7.649 -2.297 1.00 0.00 C ATOM 1507 OE1 GLN A1012 -26.251 8.791 -1.832 1.00 0.00 O ATOM 1508 NE2 GLN A1012 -25.977 7.414 -3.577 1.00 0.00 N ATOM 0 H GLN A1012 -24.210 4.847 -0.133 1.00 0.00 H new ATOM 0 HA GLN A1012 -24.147 7.699 -0.613 1.00 0.00 H new ATOM 0 HB2 GLN A1012 -26.171 5.795 0.617 1.00 0.00 H new ATOM 0 HB3 GLN A1012 -26.450 7.516 0.434 1.00 0.00 H new ATOM 0 HG2 GLN A1012 -25.872 5.585 -1.840 1.00 0.00 H new ATOM 0 HG3 GLN A1012 -27.462 6.171 -1.392 1.00 0.00 H new ATOM 0 HE21 GLN A1012 -25.947 6.455 -3.922 1.00 0.00 H new ATOM 0 HE22 GLN A1012 -25.831 8.192 -4.220 1.00 0.00 H new ATOM 1517 N ASP A1013 -23.405 6.530 2.263 1.00 0.00 N ATOM 1518 CA ASP A1013 -22.899 6.910 3.572 1.00 0.00 C ATOM 1519 C ASP A1013 -21.601 7.684 3.409 1.00 0.00 C ATOM 1520 O ASP A1013 -20.563 7.114 3.062 1.00 0.00 O ATOM 1521 CB ASP A1013 -22.671 5.683 4.452 1.00 0.00 C ATOM 1522 CG ASP A1013 -22.158 6.057 5.828 1.00 0.00 C ATOM 1523 OD1 ASP A1013 -22.979 6.411 6.698 1.00 0.00 O ATOM 1524 OD2 ASP A1013 -20.935 5.997 6.049 1.00 0.00 O ATOM 0 H ASP A1013 -23.229 5.559 2.006 1.00 0.00 H new ATOM 0 HA ASP A1013 -23.642 7.540 4.061 1.00 0.00 H new ATOM 0 HB2 ASP A1013 -23.605 5.130 4.552 1.00 0.00 H new ATOM 0 HB3 ASP A1013 -21.957 5.017 3.968 1.00 0.00 H new ATOM 1529 N GLN A1014 -21.666 8.980 3.653 1.00 0.00 N ATOM 1530 CA GLN A1014 -20.542 9.867 3.397 1.00 0.00 C ATOM 1531 C GLN A1014 -19.381 9.581 4.342 1.00 0.00 C ATOM 1532 O GLN A1014 -18.222 9.727 3.962 1.00 0.00 O ATOM 1533 CB GLN A1014 -20.988 11.326 3.508 1.00 0.00 C ATOM 1534 CG GLN A1014 -22.180 11.649 2.621 1.00 0.00 C ATOM 1535 CD GLN A1014 -21.899 11.447 1.141 1.00 0.00 C ATOM 1536 OE1 GLN A1014 -20.693 11.783 0.708 1.00 0.00 O flip ATOM 1537 NE2 GLN A1014 -22.775 11.029 0.383 1.00 0.00 N flip ATOM 0 H GLN A1014 -22.491 9.446 4.031 1.00 0.00 H new ATOM 0 HA GLN A1014 -20.189 9.684 2.382 1.00 0.00 H new ATOM 0 HB2 GLN A1014 -21.243 11.545 4.545 1.00 0.00 H new ATOM 0 HB3 GLN A1014 -20.155 11.977 3.240 1.00 0.00 H new ATOM 0 HG2 GLN A1014 -23.022 11.022 2.913 1.00 0.00 H new ATOM 0 HG3 GLN A1014 -22.480 12.683 2.789 1.00 0.00 H new ATOM 0 HE21 GLN A1014 -23.693 10.780 0.752 1.00 0.00 H new ATOM 0 HE22 GLN A1014 -22.583 10.932 -0.614 1.00 0.00 H new ATOM 1546 N ALA A1015 -19.692 9.148 5.559 1.00 0.00 N ATOM 1547 CA ALA A1015 -18.660 8.831 6.541 1.00 0.00 C ATOM 1548 C ALA A1015 -17.750 7.713 6.036 1.00 0.00 C ATOM 1549 O ALA A1015 -16.526 7.797 6.136 1.00 0.00 O ATOM 1550 CB ALA A1015 -19.289 8.443 7.870 1.00 0.00 C ATOM 0 H ALA A1015 -20.647 9.009 5.889 1.00 0.00 H new ATOM 0 HA ALA A1015 -18.052 9.723 6.691 1.00 0.00 H new ATOM 0 HB1 ALA A1015 -18.504 8.210 8.590 1.00 0.00 H new ATOM 0 HB2 ALA A1015 -19.890 9.272 8.244 1.00 0.00 H new ATOM 0 HB3 ALA A1015 -19.924 7.568 7.730 1.00 0.00 H new ATOM 1556 N SER A1016 -18.356 6.670 5.492 1.00 0.00 N ATOM 1557 CA SER A1016 -17.603 5.560 4.930 1.00 0.00 C ATOM 1558 C SER A1016 -16.948 5.969 3.610 1.00 0.00 C ATOM 1559 O SER A1016 -15.760 5.722 3.388 1.00 0.00 O ATOM 1560 CB SER A1016 -18.527 4.360 4.710 1.00 0.00 C ATOM 1561 OG SER A1016 -19.264 4.058 5.886 1.00 0.00 O ATOM 0 H SER A1016 -19.369 6.569 5.428 1.00 0.00 H new ATOM 0 HA SER A1016 -16.818 5.281 5.633 1.00 0.00 H new ATOM 0 HB2 SER A1016 -19.214 4.572 3.891 1.00 0.00 H new ATOM 0 HB3 SER A1016 -17.937 3.492 4.414 1.00 0.00 H new ATOM 0 HG SER A1016 -19.938 4.753 6.037 1.00 0.00 H new ATOM 1567 N ALA A1017 -17.726 6.621 2.751 1.00 0.00 N ATOM 1568 CA ALA A1017 -17.267 7.000 1.418 1.00 0.00 C ATOM 1569 C ALA A1017 -16.078 7.956 1.474 1.00 0.00 C ATOM 1570 O ALA A1017 -15.084 7.763 0.772 1.00 0.00 O ATOM 1571 CB ALA A1017 -18.408 7.624 0.630 1.00 0.00 C ATOM 0 H ALA A1017 -18.685 6.900 2.957 1.00 0.00 H new ATOM 0 HA ALA A1017 -16.933 6.093 0.914 1.00 0.00 H new ATOM 0 HB1 ALA A1017 -18.055 7.903 -0.363 1.00 0.00 H new ATOM 0 HB2 ALA A1017 -19.222 6.905 0.537 1.00 0.00 H new ATOM 0 HB3 ALA A1017 -18.767 8.512 1.150 1.00 0.00 H new ATOM 1577 N MET A1018 -16.170 8.979 2.312 1.00 0.00 N ATOM 1578 CA MET A1018 -15.117 9.985 2.396 1.00 0.00 C ATOM 1579 C MET A1018 -13.859 9.416 3.030 1.00 0.00 C ATOM 1580 O MET A1018 -12.748 9.791 2.657 1.00 0.00 O ATOM 1581 CB MET A1018 -15.582 11.212 3.175 1.00 0.00 C ATOM 1582 CG MET A1018 -16.609 12.046 2.431 1.00 0.00 C ATOM 1583 SD MET A1018 -16.011 12.599 0.821 1.00 0.00 S ATOM 1584 CE MET A1018 -14.561 13.535 1.301 1.00 0.00 C ATOM 0 H MET A1018 -16.958 9.135 2.941 1.00 0.00 H new ATOM 0 HA MET A1018 -14.884 10.290 1.376 1.00 0.00 H new ATOM 0 HB2 MET A1018 -16.007 10.890 4.126 1.00 0.00 H new ATOM 0 HB3 MET A1018 -14.718 11.835 3.406 1.00 0.00 H new ATOM 0 HG2 MET A1018 -17.519 11.461 2.296 1.00 0.00 H new ATOM 0 HG3 MET A1018 -16.874 12.914 3.035 1.00 0.00 H new ATOM 0 HE1 MET A1018 -14.245 14.168 0.472 1.00 0.00 H new ATOM 0 HE2 MET A1018 -14.799 14.158 2.163 1.00 0.00 H new ATOM 0 HE3 MET A1018 -13.755 12.849 1.561 1.00 0.00 H new ATOM 1594 N GLN A1019 -14.025 8.508 3.980 1.00 0.00 N ATOM 1595 CA GLN A1019 -12.876 7.873 4.602 1.00 0.00 C ATOM 1596 C GLN A1019 -12.182 6.962 3.595 1.00 0.00 C ATOM 1597 O GLN A1019 -10.955 6.893 3.555 1.00 0.00 O ATOM 1598 CB GLN A1019 -13.278 7.097 5.855 1.00 0.00 C ATOM 1599 CG GLN A1019 -12.087 6.585 6.648 1.00 0.00 C ATOM 1600 CD GLN A1019 -12.469 6.064 8.017 1.00 0.00 C ATOM 1601 OE1 GLN A1019 -13.677 5.547 8.140 1.00 0.00 O flip ATOM 1602 NE2 GLN A1019 -11.679 6.125 8.961 1.00 0.00 N flip ATOM 0 H GLN A1019 -14.931 8.199 4.332 1.00 0.00 H new ATOM 0 HA GLN A1019 -12.179 8.651 4.914 1.00 0.00 H new ATOM 0 HB2 GLN A1019 -13.883 7.740 6.494 1.00 0.00 H new ATOM 0 HB3 GLN A1019 -13.905 6.253 5.567 1.00 0.00 H new ATOM 0 HG2 GLN A1019 -11.598 5.789 6.086 1.00 0.00 H new ATOM 0 HG3 GLN A1019 -11.360 7.389 6.761 1.00 0.00 H new ATOM 0 HE21 GLN A1019 -10.754 6.532 8.826 1.00 0.00 H new ATOM 0 HE22 GLN A1019 -11.951 5.768 9.877 1.00 0.00 H new ATOM 1611 N LEU A1020 -12.973 6.279 2.770 1.00 0.00 N ATOM 1612 CA LEU A1020 -12.426 5.502 1.662 1.00 0.00 C ATOM 1613 C LEU A1020 -11.684 6.410 0.693 1.00 0.00 C ATOM 1614 O LEU A1020 -10.572 6.100 0.275 1.00 0.00 O ATOM 1615 CB LEU A1020 -13.529 4.750 0.917 1.00 0.00 C ATOM 1616 CG LEU A1020 -13.929 3.408 1.521 1.00 0.00 C ATOM 1617 CD1 LEU A1020 -15.063 2.788 0.721 1.00 0.00 C ATOM 1618 CD2 LEU A1020 -12.732 2.470 1.559 1.00 0.00 C ATOM 0 H LEU A1020 -13.990 6.248 2.848 1.00 0.00 H new ATOM 0 HA LEU A1020 -11.731 4.774 2.079 1.00 0.00 H new ATOM 0 HB2 LEU A1020 -14.413 5.387 0.872 1.00 0.00 H new ATOM 0 HB3 LEU A1020 -13.203 4.584 -0.110 1.00 0.00 H new ATOM 0 HG LEU A1020 -14.274 3.572 2.542 1.00 0.00 H new ATOM 0 HD11 LEU A1020 -15.339 1.830 1.163 1.00 0.00 H new ATOM 0 HD12 LEU A1020 -15.925 3.455 0.734 1.00 0.00 H new ATOM 0 HD13 LEU A1020 -14.740 2.633 -0.308 1.00 0.00 H new ATOM 0 HD21 LEU A1020 -13.031 1.516 1.992 1.00 0.00 H new ATOM 0 HD22 LEU A1020 -12.364 2.309 0.546 1.00 0.00 H new ATOM 0 HD23 LEU A1020 -11.942 2.912 2.166 1.00 0.00 H new ATOM 1630 N SER A1021 -12.308 7.532 0.349 1.00 0.00 N ATOM 1631 CA SER A1021 -11.702 8.519 -0.536 1.00 0.00 C ATOM 1632 C SER A1021 -10.352 8.975 0.013 1.00 0.00 C ATOM 1633 O SER A1021 -9.367 9.055 -0.724 1.00 0.00 O ATOM 1634 CB SER A1021 -12.644 9.716 -0.703 1.00 0.00 C ATOM 1635 OG SER A1021 -12.097 10.696 -1.569 1.00 0.00 O ATOM 0 H SER A1021 -13.242 7.781 0.674 1.00 0.00 H new ATOM 0 HA SER A1021 -11.536 8.061 -1.511 1.00 0.00 H new ATOM 0 HB2 SER A1021 -13.601 9.374 -1.098 1.00 0.00 H new ATOM 0 HB3 SER A1021 -12.843 10.162 0.272 1.00 0.00 H new ATOM 0 HG SER A1021 -12.724 11.444 -1.654 1.00 0.00 H new ATOM 1641 N GLN A1022 -10.317 9.255 1.313 1.00 0.00 N ATOM 1642 CA GLN A1022 -9.089 9.650 1.991 1.00 0.00 C ATOM 1643 C GLN A1022 -8.033 8.551 1.891 1.00 0.00 C ATOM 1644 O GLN A1022 -6.906 8.795 1.457 1.00 0.00 O ATOM 1645 CB GLN A1022 -9.376 9.955 3.462 1.00 0.00 C ATOM 1646 CG GLN A1022 -8.132 10.257 4.283 1.00 0.00 C ATOM 1647 CD GLN A1022 -8.425 10.387 5.765 1.00 0.00 C ATOM 1648 OE1 GLN A1022 -9.615 10.859 6.097 1.00 0.00 O flip ATOM 1649 NE2 GLN A1022 -7.581 10.070 6.608 1.00 0.00 N flip ATOM 0 H GLN A1022 -11.134 9.214 1.922 1.00 0.00 H new ATOM 0 HA GLN A1022 -8.705 10.546 1.503 1.00 0.00 H new ATOM 0 HB2 GLN A1022 -10.054 10.807 3.521 1.00 0.00 H new ATOM 0 HB3 GLN A1022 -9.894 9.104 3.905 1.00 0.00 H new ATOM 0 HG2 GLN A1022 -7.400 9.464 4.130 1.00 0.00 H new ATOM 0 HG3 GLN A1022 -7.680 11.182 3.924 1.00 0.00 H new ATOM 0 HE21 GLN A1022 -6.674 9.710 6.311 1.00 0.00 H new ATOM 0 HE22 GLN A1022 -7.790 10.168 7.601 1.00 0.00 H new ATOM 1658 N CYS A1023 -8.409 7.343 2.287 1.00 0.00 N ATOM 1659 CA CYS A1023 -7.486 6.218 2.303 1.00 0.00 C ATOM 1660 C CYS A1023 -6.972 5.908 0.900 1.00 0.00 C ATOM 1661 O CYS A1023 -5.769 5.794 0.688 1.00 0.00 O ATOM 1662 CB CYS A1023 -8.167 4.992 2.905 1.00 0.00 C ATOM 1663 SG CYS A1023 -8.800 5.252 4.579 1.00 0.00 S ATOM 0 H CYS A1023 -9.352 7.117 2.603 1.00 0.00 H new ATOM 0 HA CYS A1023 -6.629 6.487 2.921 1.00 0.00 H new ATOM 0 HB2 CYS A1023 -8.991 4.692 2.258 1.00 0.00 H new ATOM 0 HB3 CYS A1023 -7.457 4.165 2.920 1.00 0.00 H new ATOM 0 HG CYS A1023 -9.818 6.059 4.537 1.00 0.00 H new ATOM 1669 N ALA A1024 -7.886 5.808 -0.061 1.00 0.00 N ATOM 1670 CA ALA A1024 -7.519 5.504 -1.440 1.00 0.00 C ATOM 1671 C ALA A1024 -6.643 6.601 -2.031 1.00 0.00 C ATOM 1672 O ALA A1024 -5.820 6.347 -2.911 1.00 0.00 O ATOM 1673 CB ALA A1024 -8.761 5.308 -2.293 1.00 0.00 C ATOM 0 H ALA A1024 -8.887 5.933 0.090 1.00 0.00 H new ATOM 0 HA ALA A1024 -6.946 4.577 -1.435 1.00 0.00 H new ATOM 0 HB1 ALA A1024 -8.467 5.082 -3.318 1.00 0.00 H new ATOM 0 HB2 ALA A1024 -9.350 4.482 -1.894 1.00 0.00 H new ATOM 0 HB3 ALA A1024 -9.359 6.219 -2.280 1.00 0.00 H new ATOM 1679 N LYS A1025 -6.825 7.823 -1.548 1.00 0.00 N ATOM 1680 CA LYS A1025 -6.023 8.945 -2.003 1.00 0.00 C ATOM 1681 C LYS A1025 -4.589 8.799 -1.515 1.00 0.00 C ATOM 1682 O LYS A1025 -3.648 8.838 -2.307 1.00 0.00 O ATOM 1683 CB LYS A1025 -6.619 10.265 -1.512 1.00 0.00 C ATOM 1684 CG LYS A1025 -5.929 11.496 -2.074 1.00 0.00 C ATOM 1685 CD LYS A1025 -6.660 12.774 -1.692 1.00 0.00 C ATOM 1686 CE LYS A1025 -8.100 12.766 -2.189 1.00 0.00 C ATOM 1687 NZ LYS A1025 -8.183 12.570 -3.661 1.00 0.00 N ATOM 0 H LYS A1025 -7.521 8.060 -0.841 1.00 0.00 H new ATOM 0 HA LYS A1025 -6.023 8.951 -3.093 1.00 0.00 H new ATOM 0 HB2 LYS A1025 -7.675 10.298 -1.780 1.00 0.00 H new ATOM 0 HB3 LYS A1025 -6.565 10.295 -0.424 1.00 0.00 H new ATOM 0 HG2 LYS A1025 -4.904 11.539 -1.705 1.00 0.00 H new ATOM 0 HG3 LYS A1025 -5.874 11.419 -3.160 1.00 0.00 H new ATOM 0 HD2 LYS A1025 -6.649 12.890 -0.608 1.00 0.00 H new ATOM 0 HD3 LYS A1025 -6.135 13.633 -2.110 1.00 0.00 H new ATOM 0 HE2 LYS A1025 -8.652 11.972 -1.686 1.00 0.00 H new ATOM 0 HE3 LYS A1025 -8.581 13.707 -1.921 1.00 0.00 H new ATOM 0 HZ1 LYS A1025 -9.159 12.739 -3.979 1.00 0.00 H new ATOM 0 HZ2 LYS A1025 -7.543 13.238 -4.137 1.00 0.00 H new ATOM 0 HZ3 LYS A1025 -7.906 11.596 -3.898 1.00 0.00 H new ATOM 1701 N ASN A1026 -4.435 8.594 -0.213 1.00 0.00 N ATOM 1702 CA ASN A1026 -3.112 8.460 0.388 1.00 0.00 C ATOM 1703 C ASN A1026 -2.428 7.181 -0.080 1.00 0.00 C ATOM 1704 O ASN A1026 -1.243 7.193 -0.406 1.00 0.00 O ATOM 1705 CB ASN A1026 -3.197 8.489 1.919 1.00 0.00 C ATOM 1706 CG ASN A1026 -3.532 9.870 2.459 1.00 0.00 C ATOM 1707 OD1 ASN A1026 -2.642 10.678 2.727 1.00 0.00 O ATOM 1708 ND2 ASN A1026 -4.815 10.151 2.622 1.00 0.00 N ATOM 0 H ASN A1026 -5.208 8.517 0.447 1.00 0.00 H new ATOM 0 HA ASN A1026 -2.513 9.310 0.062 1.00 0.00 H new ATOM 0 HB2 ASN A1026 -3.955 7.779 2.251 1.00 0.00 H new ATOM 0 HB3 ASN A1026 -2.246 8.159 2.338 1.00 0.00 H new ATOM 0 HD21 ASN A1026 -5.096 11.064 2.981 1.00 0.00 H new ATOM 0 HD22 ASN A1026 -5.523 9.455 2.389 1.00 0.00 H new ATOM 1715 N LEU A1027 -3.182 6.084 -0.131 1.00 0.00 N ATOM 1716 CA LEU A1027 -2.653 4.806 -0.594 1.00 0.00 C ATOM 1717 C LEU A1027 -2.205 4.911 -2.047 1.00 0.00 C ATOM 1718 O LEU A1027 -1.150 4.400 -2.417 1.00 0.00 O ATOM 1719 CB LEU A1027 -3.703 3.697 -0.443 1.00 0.00 C ATOM 1720 CG LEU A1027 -3.231 2.286 -0.815 1.00 0.00 C ATOM 1721 CD1 LEU A1027 -2.078 1.854 0.081 1.00 0.00 C ATOM 1722 CD2 LEU A1027 -4.382 1.290 -0.719 1.00 0.00 C ATOM 0 H LEU A1027 -4.164 6.057 0.144 1.00 0.00 H new ATOM 0 HA LEU A1027 -1.790 4.551 0.022 1.00 0.00 H new ATOM 0 HB2 LEU A1027 -4.047 3.685 0.591 1.00 0.00 H new ATOM 0 HB3 LEU A1027 -4.564 3.949 -1.063 1.00 0.00 H new ATOM 0 HG LEU A1027 -2.879 2.305 -1.846 1.00 0.00 H new ATOM 0 HD11 LEU A1027 -1.757 0.850 -0.198 1.00 0.00 H new ATOM 0 HD12 LEU A1027 -1.246 2.548 -0.037 1.00 0.00 H new ATOM 0 HD13 LEU A1027 -2.405 1.854 1.121 1.00 0.00 H new ATOM 0 HD21 LEU A1027 -4.026 0.295 -0.987 1.00 0.00 H new ATOM 0 HD22 LEU A1027 -4.766 1.275 0.301 1.00 0.00 H new ATOM 0 HD23 LEU A1027 -5.178 1.587 -1.402 1.00 0.00 H new ATOM 1734 N GLY A1028 -3.006 5.594 -2.861 1.00 0.00 N ATOM 1735 CA GLY A1028 -2.655 5.797 -4.255 1.00 0.00 C ATOM 1736 C GLY A1028 -1.334 6.525 -4.410 1.00 0.00 C ATOM 1737 O GLY A1028 -0.468 6.101 -5.177 1.00 0.00 O ATOM 0 H GLY A1028 -3.893 6.011 -2.579 1.00 0.00 H new ATOM 0 HA2 GLY A1028 -2.598 4.832 -4.758 1.00 0.00 H new ATOM 0 HA3 GLY A1028 -3.443 6.367 -4.747 1.00 0.00 H new ATOM 1741 N THR A1029 -1.170 7.611 -3.665 1.00 0.00 N ATOM 1742 CA THR A1029 0.063 8.379 -3.699 1.00 0.00 C ATOM 1743 C THR A1029 1.207 7.596 -3.051 1.00 0.00 C ATOM 1744 O THR A1029 2.358 7.696 -3.473 1.00 0.00 O ATOM 1745 CB THR A1029 -0.109 9.728 -2.982 1.00 0.00 C ATOM 1746 OG1 THR A1029 -1.337 10.343 -3.399 1.00 0.00 O ATOM 1747 CG2 THR A1029 1.056 10.659 -3.283 1.00 0.00 C ATOM 0 H THR A1029 -1.878 7.978 -3.030 1.00 0.00 H new ATOM 0 HA THR A1029 0.307 8.565 -4.745 1.00 0.00 H new ATOM 0 HB THR A1029 -0.134 9.545 -1.908 1.00 0.00 H new ATOM 0 HG1 THR A1029 -2.090 9.909 -2.947 1.00 0.00 H new ATOM 0 HG21 THR A1029 0.909 11.606 -2.763 1.00 0.00 H new ATOM 0 HG22 THR A1029 1.985 10.200 -2.945 1.00 0.00 H new ATOM 0 HG23 THR A1029 1.110 10.839 -4.357 1.00 0.00 H new ATOM 1755 N ALA A1030 0.883 6.803 -2.033 1.00 0.00 N ATOM 1756 CA ALA A1030 1.876 5.962 -1.375 1.00 0.00 C ATOM 1757 C ALA A1030 2.421 4.934 -2.355 1.00 0.00 C ATOM 1758 O ALA A1030 3.616 4.665 -2.384 1.00 0.00 O ATOM 1759 CB ALA A1030 1.283 5.281 -0.150 1.00 0.00 C ATOM 0 H ALA A1030 -0.058 6.726 -1.647 1.00 0.00 H new ATOM 0 HA ALA A1030 2.699 6.593 -1.039 1.00 0.00 H new ATOM 0 HB1 ALA A1030 2.042 4.659 0.324 1.00 0.00 H new ATOM 0 HB2 ALA A1030 0.940 6.037 0.556 1.00 0.00 H new ATOM 0 HB3 ALA A1030 0.441 4.658 -0.452 1.00 0.00 H new ATOM 1765 N LEU A1031 1.534 4.378 -3.172 1.00 0.00 N ATOM 1766 CA LEU A1031 1.941 3.470 -4.236 1.00 0.00 C ATOM 1767 C LEU A1031 2.770 4.216 -5.270 1.00 0.00 C ATOM 1768 O LEU A1031 3.729 3.679 -5.815 1.00 0.00 O ATOM 1769 CB LEU A1031 0.720 2.839 -4.910 1.00 0.00 C ATOM 1770 CG LEU A1031 -0.127 1.938 -4.013 1.00 0.00 C ATOM 1771 CD1 LEU A1031 -1.331 1.414 -4.776 1.00 0.00 C ATOM 1772 CD2 LEU A1031 0.708 0.788 -3.476 1.00 0.00 C ATOM 0 H LEU A1031 0.528 4.540 -3.117 1.00 0.00 H new ATOM 0 HA LEU A1031 2.543 2.676 -3.795 1.00 0.00 H new ATOM 0 HB2 LEU A1031 0.087 3.637 -5.298 1.00 0.00 H new ATOM 0 HB3 LEU A1031 1.059 2.256 -5.767 1.00 0.00 H new ATOM 0 HG LEU A1031 -0.484 2.526 -3.168 1.00 0.00 H new ATOM 0 HD11 LEU A1031 -1.925 0.774 -4.124 1.00 0.00 H new ATOM 0 HD12 LEU A1031 -1.940 2.252 -5.114 1.00 0.00 H new ATOM 0 HD13 LEU A1031 -0.993 0.840 -5.639 1.00 0.00 H new ATOM 0 HD21 LEU A1031 0.090 0.156 -2.839 1.00 0.00 H new ATOM 0 HD22 LEU A1031 1.093 0.198 -4.308 1.00 0.00 H new ATOM 0 HD23 LEU A1031 1.541 1.184 -2.895 1.00 0.00 H new ATOM 1784 N ALA A1032 2.398 5.466 -5.518 1.00 0.00 N ATOM 1785 CA ALA A1032 3.099 6.310 -6.475 1.00 0.00 C ATOM 1786 C ALA A1032 4.559 6.510 -6.075 1.00 0.00 C ATOM 1787 O ALA A1032 5.463 6.392 -6.907 1.00 0.00 O ATOM 1788 CB ALA A1032 2.393 7.652 -6.599 1.00 0.00 C ATOM 0 H ALA A1032 1.606 5.920 -5.063 1.00 0.00 H new ATOM 0 HA ALA A1032 3.087 5.809 -7.443 1.00 0.00 H new ATOM 0 HB1 ALA A1032 2.924 8.277 -7.317 1.00 0.00 H new ATOM 0 HB2 ALA A1032 1.370 7.495 -6.941 1.00 0.00 H new ATOM 0 HB3 ALA A1032 2.379 8.147 -5.628 1.00 0.00 H new ATOM 1794 N GLU A1033 4.789 6.804 -4.800 1.00 0.00 N ATOM 1795 CA GLU A1033 6.143 7.040 -4.310 1.00 0.00 C ATOM 1796 C GLU A1033 6.860 5.723 -4.009 1.00 0.00 C ATOM 1797 O GLU A1033 8.083 5.688 -3.896 1.00 0.00 O ATOM 1798 CB GLU A1033 6.123 7.961 -3.076 1.00 0.00 C ATOM 1799 CG GLU A1033 5.248 7.469 -1.930 1.00 0.00 C ATOM 1800 CD GLU A1033 5.078 8.508 -0.836 1.00 0.00 C ATOM 1801 OE1 GLU A1033 5.922 8.566 0.081 1.00 0.00 O ATOM 1802 OE2 GLU A1033 4.097 9.287 -0.892 1.00 0.00 O ATOM 0 H GLU A1033 4.061 6.884 -4.090 1.00 0.00 H new ATOM 0 HA GLU A1033 6.704 7.545 -5.097 1.00 0.00 H new ATOM 0 HB2 GLU A1033 7.143 8.080 -2.711 1.00 0.00 H new ATOM 0 HB3 GLU A1033 5.777 8.948 -3.382 1.00 0.00 H new ATOM 0 HG2 GLU A1033 4.268 7.193 -2.319 1.00 0.00 H new ATOM 0 HG3 GLU A1033 5.687 6.567 -1.504 1.00 0.00 H new ATOM 1809 N LEU A1034 6.099 4.641 -3.899 1.00 0.00 N ATOM 1810 CA LEU A1034 6.672 3.318 -3.666 1.00 0.00 C ATOM 1811 C LEU A1034 7.131 2.693 -4.982 1.00 0.00 C ATOM 1812 O LEU A1034 8.248 2.185 -5.085 1.00 0.00 O ATOM 1813 CB LEU A1034 5.643 2.407 -2.990 1.00 0.00 C ATOM 1814 CG LEU A1034 6.141 1.010 -2.619 1.00 0.00 C ATOM 1815 CD1 LEU A1034 7.238 1.096 -1.569 1.00 0.00 C ATOM 1816 CD2 LEU A1034 4.989 0.148 -2.120 1.00 0.00 C ATOM 0 H LEU A1034 5.081 4.652 -3.967 1.00 0.00 H new ATOM 0 HA LEU A1034 7.536 3.429 -3.010 1.00 0.00 H new ATOM 0 HB2 LEU A1034 5.288 2.899 -2.085 1.00 0.00 H new ATOM 0 HB3 LEU A1034 4.785 2.303 -3.654 1.00 0.00 H new ATOM 0 HG LEU A1034 6.557 0.544 -3.512 1.00 0.00 H new ATOM 0 HD11 LEU A1034 7.580 0.092 -1.317 1.00 0.00 H new ATOM 0 HD12 LEU A1034 8.073 1.676 -1.962 1.00 0.00 H new ATOM 0 HD13 LEU A1034 6.848 1.581 -0.674 1.00 0.00 H new ATOM 0 HD21 LEU A1034 5.362 -0.843 -1.861 1.00 0.00 H new ATOM 0 HD22 LEU A1034 4.544 0.610 -1.239 1.00 0.00 H new ATOM 0 HD23 LEU A1034 4.236 0.059 -2.903 1.00 0.00 H new ATOM 1828 N ARG A1035 6.256 2.747 -5.981 1.00 0.00 N ATOM 1829 CA ARG A1035 6.529 2.190 -7.303 1.00 0.00 C ATOM 1830 C ARG A1035 7.813 2.763 -7.887 1.00 0.00 C ATOM 1831 O ARG A1035 8.712 2.025 -8.292 1.00 0.00 O ATOM 1832 CB ARG A1035 5.355 2.498 -8.234 1.00 0.00 C ATOM 1833 CG ARG A1035 5.557 2.044 -9.670 1.00 0.00 C ATOM 1834 CD ARG A1035 4.503 2.647 -10.585 1.00 0.00 C ATOM 1835 NE ARG A1035 4.650 4.100 -10.706 1.00 0.00 N ATOM 1836 CZ ARG A1035 3.683 4.982 -10.434 1.00 0.00 C ATOM 1837 NH1 ARG A1035 2.505 4.572 -9.970 1.00 0.00 N ATOM 1838 NH2 ARG A1035 3.907 6.278 -10.606 1.00 0.00 N ATOM 0 H ARG A1035 5.336 3.179 -5.897 1.00 0.00 H new ATOM 0 HA ARG A1035 6.654 1.112 -7.205 1.00 0.00 H new ATOM 0 HB2 ARG A1035 4.458 2.022 -7.838 1.00 0.00 H new ATOM 0 HB3 ARG A1035 5.174 3.573 -8.228 1.00 0.00 H new ATOM 0 HG2 ARG A1035 6.550 2.336 -10.011 1.00 0.00 H new ATOM 0 HG3 ARG A1035 5.509 0.956 -9.722 1.00 0.00 H new ATOM 0 HD2 ARG A1035 4.576 2.191 -11.573 1.00 0.00 H new ATOM 0 HD3 ARG A1035 3.511 2.414 -10.199 1.00 0.00 H new ATOM 0 HE ARG A1035 5.551 4.463 -11.019 1.00 0.00 H new ATOM 0 HH11 ARG A1035 2.334 3.578 -9.819 1.00 0.00 H new ATOM 0 HH12 ARG A1035 1.773 5.252 -9.765 1.00 0.00 H new ATOM 0 HH21 ARG A1035 4.814 6.598 -10.945 1.00 0.00 H new ATOM 0 HH22 ARG A1035 3.172 6.954 -10.400 1.00 0.00 H new ATOM 1852 N THR A1036 7.895 4.086 -7.914 1.00 0.00 N ATOM 1853 CA THR A1036 9.046 4.771 -8.477 1.00 0.00 C ATOM 1854 C THR A1036 10.311 4.441 -7.687 1.00 0.00 C ATOM 1855 O THR A1036 11.391 4.281 -8.257 1.00 0.00 O ATOM 1856 CB THR A1036 8.822 6.295 -8.483 1.00 0.00 C ATOM 1857 OG1 THR A1036 7.499 6.588 -8.961 1.00 0.00 O ATOM 1858 CG2 THR A1036 9.845 6.989 -9.368 1.00 0.00 C ATOM 0 H THR A1036 7.173 4.708 -7.550 1.00 0.00 H new ATOM 0 HA THR A1036 9.171 4.427 -9.504 1.00 0.00 H new ATOM 0 HB THR A1036 8.937 6.663 -7.463 1.00 0.00 H new ATOM 0 HG1 THR A1036 6.863 6.535 -8.217 1.00 0.00 H new ATOM 0 HG21 THR A1036 9.666 8.064 -9.356 1.00 0.00 H new ATOM 0 HG22 THR A1036 10.848 6.784 -8.994 1.00 0.00 H new ATOM 0 HG23 THR A1036 9.755 6.617 -10.389 1.00 0.00 H new ATOM 1866 N ALA A1037 10.157 4.307 -6.376 1.00 0.00 N ATOM 1867 CA ALA A1037 11.280 4.025 -5.497 1.00 0.00 C ATOM 1868 C ALA A1037 11.837 2.628 -5.746 1.00 0.00 C ATOM 1869 O ALA A1037 13.053 2.438 -5.815 1.00 0.00 O ATOM 1870 CB ALA A1037 10.850 4.172 -4.048 1.00 0.00 C ATOM 0 H ALA A1037 9.260 4.390 -5.898 1.00 0.00 H new ATOM 0 HA ALA A1037 12.072 4.743 -5.711 1.00 0.00 H new ATOM 0 HB1 ALA A1037 11.696 3.959 -3.394 1.00 0.00 H new ATOM 0 HB2 ALA A1037 10.503 5.190 -3.873 1.00 0.00 H new ATOM 0 HB3 ALA A1037 10.042 3.472 -3.835 1.00 0.00 H new ATOM 1876 N ALA A1038 10.943 1.652 -5.879 1.00 0.00 N ATOM 1877 CA ALA A1038 11.348 0.278 -6.140 1.00 0.00 C ATOM 1878 C ALA A1038 12.054 0.175 -7.481 1.00 0.00 C ATOM 1879 O ALA A1038 12.976 -0.625 -7.649 1.00 0.00 O ATOM 1880 CB ALA A1038 10.152 -0.659 -6.102 1.00 0.00 C ATOM 0 H ALA A1038 9.935 1.789 -5.810 1.00 0.00 H new ATOM 0 HA ALA A1038 12.042 -0.022 -5.355 1.00 0.00 H new ATOM 0 HB1 ALA A1038 10.482 -1.679 -6.300 1.00 0.00 H new ATOM 0 HB2 ALA A1038 9.685 -0.613 -5.118 1.00 0.00 H new ATOM 0 HB3 ALA A1038 9.430 -0.358 -6.861 1.00 0.00 H new ATOM 1886 N GLN A1039 11.621 0.995 -8.432 1.00 0.00 N ATOM 1887 CA GLN A1039 12.263 1.045 -9.732 1.00 0.00 C ATOM 1888 C GLN A1039 13.706 1.502 -9.577 1.00 0.00 C ATOM 1889 O GLN A1039 14.609 0.917 -10.160 1.00 0.00 O ATOM 1890 CB GLN A1039 11.527 1.993 -10.676 1.00 0.00 C ATOM 1891 CG GLN A1039 11.990 1.878 -12.120 1.00 0.00 C ATOM 1892 CD GLN A1039 11.537 3.041 -12.973 1.00 0.00 C ATOM 1893 OE1 GLN A1039 10.443 3.026 -13.536 1.00 0.00 O ATOM 1894 NE2 GLN A1039 12.388 4.045 -13.098 1.00 0.00 N ATOM 0 H GLN A1039 10.831 1.631 -8.324 1.00 0.00 H new ATOM 0 HA GLN A1039 12.236 0.043 -10.161 1.00 0.00 H new ATOM 0 HB2 GLN A1039 10.458 1.787 -10.626 1.00 0.00 H new ATOM 0 HB3 GLN A1039 11.670 3.018 -10.336 1.00 0.00 H new ATOM 0 HG2 GLN A1039 13.078 1.817 -12.144 1.00 0.00 H new ATOM 0 HG3 GLN A1039 11.609 0.950 -12.546 1.00 0.00 H new ATOM 0 HE21 GLN A1039 13.285 4.017 -12.613 1.00 0.00 H new ATOM 0 HE22 GLN A1039 12.148 4.848 -13.679 1.00 0.00 H new ATOM 1903 N LYS A1040 13.914 2.538 -8.768 1.00 0.00 N ATOM 1904 CA LYS A1040 15.251 3.074 -8.530 1.00 0.00 C ATOM 1905 C LYS A1040 16.155 2.017 -7.923 1.00 0.00 C ATOM 1906 O LYS A1040 17.278 1.810 -8.379 1.00 0.00 O ATOM 1907 CB LYS A1040 15.190 4.286 -7.600 1.00 0.00 C ATOM 1908 CG LYS A1040 14.346 5.417 -8.144 1.00 0.00 C ATOM 1909 CD LYS A1040 14.856 5.881 -9.492 1.00 0.00 C ATOM 1910 CE LYS A1040 13.916 6.895 -10.110 1.00 0.00 C ATOM 1911 NZ LYS A1040 14.287 7.207 -11.514 1.00 0.00 N ATOM 0 H LYS A1040 13.171 3.024 -8.265 1.00 0.00 H new ATOM 0 HA LYS A1040 15.661 3.382 -9.492 1.00 0.00 H new ATOM 0 HB2 LYS A1040 14.789 3.975 -6.635 1.00 0.00 H new ATOM 0 HB3 LYS A1040 16.202 4.650 -7.423 1.00 0.00 H new ATOM 0 HG2 LYS A1040 13.311 5.089 -8.237 1.00 0.00 H new ATOM 0 HG3 LYS A1040 14.355 6.251 -7.442 1.00 0.00 H new ATOM 0 HD2 LYS A1040 15.847 6.321 -9.378 1.00 0.00 H new ATOM 0 HD3 LYS A1040 14.962 5.025 -10.159 1.00 0.00 H new ATOM 0 HE2 LYS A1040 12.896 6.511 -10.080 1.00 0.00 H new ATOM 0 HE3 LYS A1040 13.929 7.810 -9.519 1.00 0.00 H new ATOM 0 HZ1 LYS A1040 13.479 7.649 -11.997 1.00 0.00 H new ATOM 0 HZ2 LYS A1040 15.095 7.861 -11.522 1.00 0.00 H new ATOM 0 HZ3 LYS A1040 14.547 6.329 -12.008 1.00 0.00 H new ATOM 1925 N ALA A1041 15.644 1.338 -6.906 1.00 0.00 N ATOM 1926 CA ALA A1041 16.396 0.299 -6.218 1.00 0.00 C ATOM 1927 C ALA A1041 16.728 -0.854 -7.157 1.00 0.00 C ATOM 1928 O ALA A1041 17.678 -1.607 -6.928 1.00 0.00 O ATOM 1929 CB ALA A1041 15.612 -0.205 -5.021 1.00 0.00 C ATOM 0 H ALA A1041 14.705 1.490 -6.537 1.00 0.00 H new ATOM 0 HA ALA A1041 17.335 0.731 -5.873 1.00 0.00 H new ATOM 0 HB1 ALA A1041 16.183 -0.982 -4.513 1.00 0.00 H new ATOM 0 HB2 ALA A1041 15.429 0.620 -4.332 1.00 0.00 H new ATOM 0 HB3 ALA A1041 14.660 -0.615 -5.356 1.00 0.00 H new ATOM 1935 N GLN A1042 15.944 -0.983 -8.218 1.00 0.00 N ATOM 1936 CA GLN A1042 16.130 -2.055 -9.177 1.00 0.00 C ATOM 1937 C GLN A1042 17.044 -1.621 -10.328 1.00 0.00 C ATOM 1938 O GLN A1042 17.950 -2.357 -10.722 1.00 0.00 O ATOM 1939 CB GLN A1042 14.782 -2.497 -9.741 1.00 0.00 C ATOM 1940 CG GLN A1042 14.879 -3.700 -10.663 1.00 0.00 C ATOM 1941 CD GLN A1042 13.606 -3.942 -11.448 1.00 0.00 C ATOM 1942 OE1 GLN A1042 12.476 -3.543 -10.889 1.00 0.00 O flip ATOM 1943 NE2 GLN A1042 13.641 -4.469 -12.560 1.00 0.00 N flip ATOM 0 H GLN A1042 15.171 -0.354 -8.434 1.00 0.00 H new ATOM 0 HA GLN A1042 16.601 -2.888 -8.655 1.00 0.00 H new ATOM 0 HB2 GLN A1042 14.111 -2.735 -8.915 1.00 0.00 H new ATOM 0 HB3 GLN A1042 14.334 -1.666 -10.286 1.00 0.00 H new ATOM 0 HG2 GLN A1042 15.706 -3.554 -11.357 1.00 0.00 H new ATOM 0 HG3 GLN A1042 15.111 -4.587 -10.073 1.00 0.00 H new ATOM 0 HE21 GLN A1042 14.533 -4.763 -12.957 1.00 0.00 H new ATOM 0 HE22 GLN A1042 12.778 -4.611 -13.084 1.00 0.00 H new ATOM 1952 N GLU A1043 16.796 -0.424 -10.861 1.00 0.00 N ATOM 1953 CA GLU A1043 17.480 0.046 -12.066 1.00 0.00 C ATOM 1954 C GLU A1043 18.921 0.461 -11.783 1.00 0.00 C ATOM 1955 O GLU A1043 19.786 0.338 -12.652 1.00 0.00 O ATOM 1956 CB GLU A1043 16.721 1.219 -12.708 1.00 0.00 C ATOM 1957 CG GLU A1043 16.703 2.490 -11.866 1.00 0.00 C ATOM 1958 CD GLU A1043 16.137 3.683 -12.613 1.00 0.00 C ATOM 1959 OE1 GLU A1043 16.832 4.210 -13.509 1.00 0.00 O ATOM 1960 OE2 GLU A1043 15.002 4.107 -12.311 1.00 0.00 O ATOM 0 H GLU A1043 16.124 0.240 -10.476 1.00 0.00 H new ATOM 0 HA GLU A1043 17.500 -0.793 -12.761 1.00 0.00 H new ATOM 0 HB2 GLU A1043 17.173 1.444 -13.674 1.00 0.00 H new ATOM 0 HB3 GLU A1043 15.694 0.910 -12.901 1.00 0.00 H new ATOM 0 HG2 GLU A1043 16.112 2.316 -10.967 1.00 0.00 H new ATOM 0 HG3 GLU A1043 17.718 2.719 -11.541 1.00 0.00 H new ATOM 1967 N ALA A1044 19.180 0.963 -10.585 1.00 0.00 N ATOM 1968 CA ALA A1044 20.510 1.440 -10.242 1.00 0.00 C ATOM 1969 C ALA A1044 21.363 0.308 -9.685 1.00 0.00 C ATOM 1970 O ALA A1044 22.042 -0.368 -10.488 1.00 0.00 O ATOM 1971 CB ALA A1044 20.427 2.593 -9.254 1.00 0.00 C ATOM 1972 OXT ALA A1044 21.345 0.093 -8.456 1.00 0.00 O ATOM 0 H ALA A1044 18.491 1.050 -9.838 1.00 0.00 H new ATOM 0 HA ALA A1044 20.987 1.805 -11.151 1.00 0.00 H new ATOM 0 HB1 ALA A1044 21.432 2.936 -9.010 1.00 0.00 H new ATOM 0 HB2 ALA A1044 19.862 3.413 -9.698 1.00 0.00 H new ATOM 0 HB3 ALA A1044 19.927 2.258 -8.345 1.00 0.00 H new TER 1978 ALA A1044