USER MOD reduce.3.24.130724 H: found=0, std=0, add=1002, rem=0, adj=29 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= 0.388 K(o=0.75,f=-0.5) USER MOD Set 1.2: A1042 GLN : amide:sc= 0.364 K(o=0.75,f=-0.99) USER MOD Set 2.1: A 922 LYS NZ :NH3+ -175:sc= 1.15 (180deg=0) USER MOD Set 2.2: A 974 GLN : amide:sc= -0.98 K(o=0.17,f=-6.8!) USER MOD Set 3.1: A 973 SER OG : rot -82:sc= 1.81 USER MOD Set 3.2: A 983 GLN : amide:sc= 1.6 K(o=3.4,f=-0.59) USER MOD Set 4.1: A 962 GLN : amide:sc= 0.577 K(o=1.5,f=-1.5) USER MOD Set 4.2: A 992 SER OG : rot -99:sc= 0.9 USER MOD Set 5.1: A 954 GLN : amide:sc= 0.246 K(o=0.58,f=-1.5) USER MOD Set 5.2: A 957 LYS NZ :NH3+ 139:sc= 0.33 (180deg=0) USER MOD Set 6.1: A 912 THR OG1 : rot 180:sc= -0.961 USER MOD Set 6.2: A 915 GLN : amide:sc= -2.68 X(o=-3.6,f=-4.1!) USER MOD Single : A 919 HIS : no HE2:sc= 0.214 K(o=0.21,f=-1.3) USER MOD Single : A 923 GLN : amide:sc=-0.00938 X(o=-0.0094,f=-0.41) USER MOD Single : A 927 SER OG : rot 77:sc= 1.26 USER MOD Single : A 929 THR OG1 : rot 75:sc= 1.19 USER MOD Single : A 930 GLN : amide:sc= -0.459 X(o=-0.46,f=-0.2) USER MOD Single : A 931 THR OG1 : rot 75:sc= 1.27 USER MOD Single : A 936 GLN : amide:sc= 0 K(o=0,f=-0.85) USER MOD Single : A 937 HIS : no HD1:sc=-0.000925 X(o=-0.00092,f=0) USER MOD Single : A 940 SER OG : rot 180:sc= 0 USER MOD Single : A 943 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0288) USER MOD Single : A 945 SER OG : rot 180:sc= 0 USER MOD Single : A 949 GLN : amide:sc= -0.744 K(o=-0.74,f=-4!) USER MOD Single : A 955 SER OG : rot 180:sc= 0 USER MOD Single : A 956 CYS SG : rot 180:sc= -3.19! USER MOD Single : A 968 GLN :FLIP amide:sc= -0.0143 F(o=-1.2,f=-0.014) USER MOD Single : A 976 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 979 SER OG : rot 42:sc= -1.93! USER MOD Single : A 981 SER OG : rot -93:sc= 0.0631 USER MOD Single : A 990 SER OG : rot 65:sc= 1.01 USER MOD Single : A 995 GLN :FLIP amide:sc= -0.0847 F(o=-1.1!,f=-0.085) USER MOD Single : A 999 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A1000 MET CE :methyl 154:sc= -1.24 (180deg=-2.72!) USER MOD Single : A1005 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A1007 SER OG : rot -29:sc= -0.871 USER MOD Single : A1010 THR OG1 : rot -3:sc= 1.07 USER MOD Single : A1012 GLN : amide:sc= 0 K(o=0,f=-0.59) USER MOD Single : A1014 GLN : amide:sc= 0 K(o=0,f=-0.7) USER MOD Single : A1016 SER OG : rot 180:sc= 0 USER MOD Single : A1018 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A1019 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A1021 SER OG : rot 180:sc= 0 USER MOD Single : A1022 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A1023 CYS SG : rot 65:sc= 0.931 USER MOD Single : A1025 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0486) USER MOD Single : A1026 ASN : amide:sc= -0.0125 K(o=-0.012,f=-1.1!) USER MOD Single : A1029 THR OG1 : rot 180:sc= 0 USER MOD Single : A1036 THR OG1 : rot 76:sc= 0.404 USER MOD Single : A1039 GLN : amide:sc= -0.0851 X(o=-0.085,f=-0.14) USER MOD Single : A1040 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0907) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 907 24.536 16.950 10.350 1.00 0.00 N ATOM 2 CA GLY A 907 24.719 16.758 8.892 1.00 0.00 C ATOM 3 C GLY A 907 23.394 16.620 8.175 1.00 0.00 C ATOM 4 O GLY A 907 22.336 16.745 8.794 1.00 0.00 O ATOM 0 HA2 GLY A 907 25.269 17.604 8.480 1.00 0.00 H new ATOM 0 HA3 GLY A 907 25.323 15.868 8.715 1.00 0.00 H new ATOM 10 N ILE A 908 23.445 16.364 6.876 1.00 0.00 N ATOM 11 CA ILE A 908 22.234 16.187 6.085 1.00 0.00 C ATOM 12 C ILE A 908 22.335 14.933 5.225 1.00 0.00 C ATOM 13 O ILE A 908 23.380 14.645 4.634 1.00 0.00 O ATOM 14 CB ILE A 908 21.905 17.408 5.178 1.00 0.00 C ATOM 15 CG1 ILE A 908 23.048 17.728 4.194 1.00 0.00 C ATOM 16 CG2 ILE A 908 21.566 18.627 6.023 1.00 0.00 C ATOM 17 CD1 ILE A 908 24.237 18.441 4.807 1.00 0.00 C ATOM 0 H ILE A 908 24.312 16.274 6.346 1.00 0.00 H new ATOM 0 HA ILE A 908 21.420 16.088 6.803 1.00 0.00 H new ATOM 0 HB ILE A 908 21.033 17.140 4.581 1.00 0.00 H new ATOM 0 HG12 ILE A 908 23.393 16.796 3.745 1.00 0.00 H new ATOM 0 HG13 ILE A 908 22.651 18.343 3.386 1.00 0.00 H new ATOM 0 HG21 ILE A 908 21.339 19.470 5.371 1.00 0.00 H new ATOM 0 HG22 ILE A 908 20.700 18.408 6.647 1.00 0.00 H new ATOM 0 HG23 ILE A 908 22.416 18.878 6.657 1.00 0.00 H new ATOM 0 HD11 ILE A 908 24.988 18.623 4.038 1.00 0.00 H new ATOM 0 HD12 ILE A 908 23.913 19.392 5.230 1.00 0.00 H new ATOM 0 HD13 ILE A 908 24.666 17.822 5.594 1.00 0.00 H new ATOM 29 N ASP A 909 21.255 14.174 5.183 1.00 0.00 N ATOM 30 CA ASP A 909 21.204 12.959 4.387 1.00 0.00 C ATOM 31 C ASP A 909 20.317 13.183 3.167 1.00 0.00 C ATOM 32 O ASP A 909 19.192 13.668 3.293 1.00 0.00 O ATOM 33 CB ASP A 909 20.673 11.793 5.229 1.00 0.00 C ATOM 34 CG ASP A 909 20.737 10.464 4.502 1.00 0.00 C ATOM 35 OD1 ASP A 909 19.803 10.152 3.745 1.00 0.00 O ATOM 36 OD2 ASP A 909 21.721 9.718 4.700 1.00 0.00 O ATOM 0 H ASP A 909 20.396 14.378 5.694 1.00 0.00 H new ATOM 0 HA ASP A 909 22.211 12.708 4.052 1.00 0.00 H new ATOM 0 HB2 ASP A 909 21.250 11.725 6.151 1.00 0.00 H new ATOM 0 HB3 ASP A 909 19.641 11.997 5.513 1.00 0.00 H new ATOM 41 N PRO A 910 20.817 12.849 1.968 1.00 0.00 N ATOM 42 CA PRO A 910 20.097 13.082 0.713 1.00 0.00 C ATOM 43 C PRO A 910 19.038 12.019 0.419 1.00 0.00 C ATOM 44 O PRO A 910 18.501 11.961 -0.692 1.00 0.00 O ATOM 45 CB PRO A 910 21.214 13.030 -0.327 1.00 0.00 C ATOM 46 CG PRO A 910 22.210 12.078 0.240 1.00 0.00 C ATOM 47 CD PRO A 910 22.139 12.229 1.737 1.00 0.00 C ATOM 0 HA PRO A 910 19.538 14.018 0.731 1.00 0.00 H new ATOM 0 HB2 PRO A 910 20.842 12.686 -1.292 1.00 0.00 H new ATOM 0 HB3 PRO A 910 21.653 14.015 -0.487 1.00 0.00 H new ATOM 0 HG2 PRO A 910 21.982 11.055 -0.058 1.00 0.00 H new ATOM 0 HG3 PRO A 910 23.212 12.301 -0.126 1.00 0.00 H new ATOM 0 HD2 PRO A 910 22.222 11.266 2.240 1.00 0.00 H new ATOM 0 HD3 PRO A 910 22.946 12.857 2.114 1.00 0.00 H new ATOM 55 N PHE A 911 18.736 11.212 1.434 1.00 0.00 N ATOM 56 CA PHE A 911 17.785 10.120 1.352 1.00 0.00 C ATOM 57 C PHE A 911 18.101 9.176 0.201 1.00 0.00 C ATOM 58 O PHE A 911 17.736 9.425 -0.952 1.00 0.00 O ATOM 59 CB PHE A 911 16.365 10.643 1.236 1.00 0.00 C ATOM 60 CG PHE A 911 16.022 11.708 2.239 1.00 0.00 C ATOM 61 CD1 PHE A 911 16.139 11.462 3.596 1.00 0.00 C ATOM 62 CD2 PHE A 911 15.588 12.956 1.823 1.00 0.00 C ATOM 63 CE1 PHE A 911 15.831 12.441 4.519 1.00 0.00 C ATOM 64 CE2 PHE A 911 15.278 13.940 2.742 1.00 0.00 C ATOM 65 CZ PHE A 911 15.380 13.674 4.094 1.00 0.00 C ATOM 0 H PHE A 911 19.160 11.307 2.357 1.00 0.00 H new ATOM 0 HA PHE A 911 17.871 9.551 2.278 1.00 0.00 H new ATOM 0 HB2 PHE A 911 16.217 11.042 0.233 1.00 0.00 H new ATOM 0 HB3 PHE A 911 15.671 9.810 1.354 1.00 0.00 H new ATOM 0 HD1 PHE A 911 16.475 10.494 3.936 1.00 0.00 H new ATOM 0 HD2 PHE A 911 15.491 13.162 0.767 1.00 0.00 H new ATOM 0 HE1 PHE A 911 15.943 12.242 5.575 1.00 0.00 H new ATOM 0 HE2 PHE A 911 14.957 14.914 2.405 1.00 0.00 H new ATOM 0 HZ PHE A 911 15.107 14.429 4.816 1.00 0.00 H new ATOM 75 N THR A 912 18.772 8.086 0.528 1.00 0.00 N ATOM 76 CA THR A 912 19.155 7.096 -0.463 1.00 0.00 C ATOM 77 C THR A 912 17.913 6.458 -1.079 1.00 0.00 C ATOM 78 O THR A 912 16.820 6.534 -0.511 1.00 0.00 O ATOM 79 CB THR A 912 20.057 6.009 0.157 1.00 0.00 C ATOM 80 OG1 THR A 912 19.293 5.143 1.003 1.00 0.00 O ATOM 81 CG2 THR A 912 21.161 6.646 0.980 1.00 0.00 C ATOM 0 H THR A 912 19.065 7.863 1.479 1.00 0.00 H new ATOM 0 HA THR A 912 19.721 7.602 -1.245 1.00 0.00 H new ATOM 0 HB THR A 912 20.492 5.430 -0.658 1.00 0.00 H new ATOM 0 HG1 THR A 912 19.880 4.459 1.386 1.00 0.00 H new ATOM 0 HG21 THR A 912 21.789 5.867 1.411 1.00 0.00 H new ATOM 0 HG22 THR A 912 21.767 7.288 0.341 1.00 0.00 H new ATOM 0 HG23 THR A 912 20.721 7.241 1.780 1.00 0.00 H new ATOM 89 N LEU A 913 18.078 5.835 -2.235 1.00 0.00 N ATOM 90 CA LEU A 913 16.950 5.275 -2.967 1.00 0.00 C ATOM 91 C LEU A 913 16.232 4.207 -2.146 1.00 0.00 C ATOM 92 O LEU A 913 15.002 4.191 -2.076 1.00 0.00 O ATOM 93 CB LEU A 913 17.425 4.708 -4.305 1.00 0.00 C ATOM 94 CG LEU A 913 18.089 5.732 -5.227 1.00 0.00 C ATOM 95 CD1 LEU A 913 18.606 5.066 -6.485 1.00 0.00 C ATOM 96 CD2 LEU A 913 17.117 6.838 -5.588 1.00 0.00 C ATOM 0 H LEU A 913 18.982 5.704 -2.688 1.00 0.00 H new ATOM 0 HA LEU A 913 16.234 6.074 -3.159 1.00 0.00 H new ATOM 0 HB2 LEU A 913 18.130 3.899 -4.113 1.00 0.00 H new ATOM 0 HB3 LEU A 913 16.572 4.270 -4.823 1.00 0.00 H new ATOM 0 HG LEU A 913 18.932 6.168 -4.692 1.00 0.00 H new ATOM 0 HD11 LEU A 913 19.074 5.813 -7.126 1.00 0.00 H new ATOM 0 HD12 LEU A 913 19.340 4.305 -6.219 1.00 0.00 H new ATOM 0 HD13 LEU A 913 17.777 4.600 -7.017 1.00 0.00 H new ATOM 0 HD21 LEU A 913 17.610 7.555 -6.244 1.00 0.00 H new ATOM 0 HD22 LEU A 913 16.254 6.411 -6.099 1.00 0.00 H new ATOM 0 HD23 LEU A 913 16.787 7.343 -4.680 1.00 0.00 H new ATOM 108 N VAL A 914 16.999 3.332 -1.502 1.00 0.00 N ATOM 109 CA VAL A 914 16.415 2.304 -0.645 1.00 0.00 C ATOM 110 C VAL A 914 15.832 2.914 0.629 1.00 0.00 C ATOM 111 O VAL A 914 14.853 2.409 1.172 1.00 0.00 O ATOM 112 CB VAL A 914 17.432 1.203 -0.271 1.00 0.00 C ATOM 113 CG1 VAL A 914 17.916 0.474 -1.514 1.00 0.00 C ATOM 114 CG2 VAL A 914 18.606 1.780 0.508 1.00 0.00 C ATOM 0 H VAL A 914 18.017 3.313 -1.556 1.00 0.00 H new ATOM 0 HA VAL A 914 15.615 1.842 -1.223 1.00 0.00 H new ATOM 0 HB VAL A 914 16.926 0.484 0.373 1.00 0.00 H new ATOM 0 HG11 VAL A 914 18.631 -0.297 -1.228 1.00 0.00 H new ATOM 0 HG12 VAL A 914 17.067 0.012 -2.019 1.00 0.00 H new ATOM 0 HG13 VAL A 914 18.397 1.183 -2.188 1.00 0.00 H new ATOM 0 HG21 VAL A 914 19.305 0.982 0.757 1.00 0.00 H new ATOM 0 HG22 VAL A 914 19.113 2.529 -0.100 1.00 0.00 H new ATOM 0 HG23 VAL A 914 18.242 2.243 1.425 1.00 0.00 H new ATOM 124 N GLN A 915 16.424 4.013 1.090 1.00 0.00 N ATOM 125 CA GLN A 915 15.940 4.706 2.282 1.00 0.00 C ATOM 126 C GLN A 915 14.539 5.251 2.036 1.00 0.00 C ATOM 127 O GLN A 915 13.687 5.264 2.928 1.00 0.00 O ATOM 128 CB GLN A 915 16.882 5.855 2.645 1.00 0.00 C ATOM 129 CG GLN A 915 16.547 6.533 3.958 1.00 0.00 C ATOM 130 CD GLN A 915 17.359 7.787 4.185 1.00 0.00 C ATOM 131 OE1 GLN A 915 16.888 8.739 4.805 1.00 0.00 O ATOM 132 NE2 GLN A 915 18.589 7.793 3.701 1.00 0.00 N ATOM 0 H GLN A 915 17.241 4.444 0.656 1.00 0.00 H new ATOM 0 HA GLN A 915 15.909 3.997 3.109 1.00 0.00 H new ATOM 0 HB2 GLN A 915 17.902 5.474 2.694 1.00 0.00 H new ATOM 0 HB3 GLN A 915 16.857 6.598 1.847 1.00 0.00 H new ATOM 0 HG2 GLN A 915 15.486 6.783 3.974 1.00 0.00 H new ATOM 0 HG3 GLN A 915 16.723 5.837 4.778 1.00 0.00 H new ATOM 0 HE21 GLN A 915 18.941 6.982 3.192 1.00 0.00 H new ATOM 0 HE22 GLN A 915 19.186 8.609 3.836 1.00 0.00 H new ATOM 141 N ARG A 916 14.307 5.700 0.811 1.00 0.00 N ATOM 142 CA ARG A 916 13.006 6.208 0.416 1.00 0.00 C ATOM 143 C ARG A 916 11.998 5.069 0.366 1.00 0.00 C ATOM 144 O ARG A 916 10.826 5.254 0.695 1.00 0.00 O ATOM 145 CB ARG A 916 13.105 6.914 -0.936 1.00 0.00 C ATOM 146 CG ARG A 916 14.135 8.027 -0.933 1.00 0.00 C ATOM 147 CD ARG A 916 14.274 8.693 -2.289 1.00 0.00 C ATOM 148 NE ARG A 916 15.367 9.666 -2.289 1.00 0.00 N ATOM 149 CZ ARG A 916 15.322 10.846 -2.902 1.00 0.00 C ATOM 150 NH1 ARG A 916 14.253 11.198 -3.598 1.00 0.00 N ATOM 151 NH2 ARG A 916 16.353 11.676 -2.807 1.00 0.00 N ATOM 0 H ARG A 916 15.009 5.722 0.071 1.00 0.00 H new ATOM 0 HA ARG A 916 12.665 6.935 1.153 1.00 0.00 H new ATOM 0 HB2 ARG A 916 13.363 6.186 -1.705 1.00 0.00 H new ATOM 0 HB3 ARG A 916 12.131 7.325 -1.200 1.00 0.00 H new ATOM 0 HG2 ARG A 916 13.855 8.775 -0.191 1.00 0.00 H new ATOM 0 HG3 ARG A 916 15.101 7.623 -0.629 1.00 0.00 H new ATOM 0 HD2 ARG A 916 14.457 7.936 -3.052 1.00 0.00 H new ATOM 0 HD3 ARG A 916 13.340 9.191 -2.551 1.00 0.00 H new ATOM 0 HE ARG A 916 16.220 9.423 -1.785 1.00 0.00 H new ATOM 0 HH11 ARG A 916 13.457 10.563 -3.667 1.00 0.00 H new ATOM 0 HH12 ARG A 916 14.225 12.104 -4.066 1.00 0.00 H new ATOM 0 HH21 ARG A 916 17.175 11.408 -2.266 1.00 0.00 H new ATOM 0 HH22 ARG A 916 16.323 12.582 -3.275 1.00 0.00 H new ATOM 165 N LEU A 917 12.471 3.890 -0.024 1.00 0.00 N ATOM 166 CA LEU A 917 11.649 2.687 -0.016 1.00 0.00 C ATOM 167 C LEU A 917 11.204 2.341 1.393 1.00 0.00 C ATOM 168 O LEU A 917 10.029 2.064 1.622 1.00 0.00 O ATOM 169 CB LEU A 917 12.417 1.506 -0.606 1.00 0.00 C ATOM 170 CG LEU A 917 12.407 1.424 -2.125 1.00 0.00 C ATOM 171 CD1 LEU A 917 13.313 0.304 -2.594 1.00 0.00 C ATOM 172 CD2 LEU A 917 10.988 1.206 -2.622 1.00 0.00 C ATOM 0 H LEU A 917 13.426 3.743 -0.351 1.00 0.00 H new ATOM 0 HA LEU A 917 10.769 2.887 -0.627 1.00 0.00 H new ATOM 0 HB2 LEU A 917 13.452 1.560 -0.267 1.00 0.00 H new ATOM 0 HB3 LEU A 917 11.998 0.583 -0.205 1.00 0.00 H new ATOM 0 HG LEU A 917 12.780 2.363 -2.535 1.00 0.00 H new ATOM 0 HD11 LEU A 917 13.297 0.255 -3.683 1.00 0.00 H new ATOM 0 HD12 LEU A 917 14.331 0.493 -2.254 1.00 0.00 H new ATOM 0 HD13 LEU A 917 12.963 -0.643 -2.183 1.00 0.00 H new ATOM 0 HD21 LEU A 917 10.989 1.148 -3.710 1.00 0.00 H new ATOM 0 HD22 LEU A 917 10.597 0.276 -2.210 1.00 0.00 H new ATOM 0 HD23 LEU A 917 10.359 2.037 -2.303 1.00 0.00 H new ATOM 184 N GLU A 918 12.153 2.362 2.328 1.00 0.00 N ATOM 185 CA GLU A 918 11.869 2.060 3.729 1.00 0.00 C ATOM 186 C GLU A 918 10.666 2.855 4.216 1.00 0.00 C ATOM 187 O GLU A 918 9.659 2.290 4.636 1.00 0.00 O ATOM 188 CB GLU A 918 13.075 2.398 4.610 1.00 0.00 C ATOM 189 CG GLU A 918 14.375 1.739 4.181 1.00 0.00 C ATOM 190 CD GLU A 918 15.530 2.109 5.090 1.00 0.00 C ATOM 191 OE1 GLU A 918 15.604 3.275 5.519 1.00 0.00 O ATOM 192 OE2 GLU A 918 16.370 1.229 5.384 1.00 0.00 O ATOM 0 H GLU A 918 13.130 2.586 2.138 1.00 0.00 H new ATOM 0 HA GLU A 918 11.654 0.994 3.800 1.00 0.00 H new ATOM 0 HB2 GLU A 918 13.215 3.479 4.613 1.00 0.00 H new ATOM 0 HB3 GLU A 918 12.854 2.102 5.635 1.00 0.00 H new ATOM 0 HG2 GLU A 918 14.248 0.656 4.179 1.00 0.00 H new ATOM 0 HG3 GLU A 918 14.610 2.034 3.158 1.00 0.00 H new ATOM 199 N HIS A 919 10.768 4.171 4.115 1.00 0.00 N ATOM 200 CA HIS A 919 9.742 5.066 4.638 1.00 0.00 C ATOM 201 C HIS A 919 8.450 4.972 3.828 1.00 0.00 C ATOM 202 O HIS A 919 7.353 5.073 4.385 1.00 0.00 O ATOM 203 CB HIS A 919 10.255 6.508 4.657 1.00 0.00 C ATOM 204 CG HIS A 919 11.456 6.700 5.535 1.00 0.00 C ATOM 205 ND1 HIS A 919 12.732 6.866 5.045 1.00 0.00 N ATOM 206 CD2 HIS A 919 11.572 6.738 6.885 1.00 0.00 C ATOM 207 CE1 HIS A 919 13.576 6.995 6.050 1.00 0.00 C ATOM 208 NE2 HIS A 919 12.899 6.921 7.178 1.00 0.00 N ATOM 0 H HIS A 919 11.555 4.647 3.673 1.00 0.00 H new ATOM 0 HA HIS A 919 9.517 4.755 5.658 1.00 0.00 H new ATOM 0 HB2 HIS A 919 10.505 6.811 3.640 1.00 0.00 H new ATOM 0 HB3 HIS A 919 9.456 7.166 4.998 1.00 0.00 H new ATOM 0 HD1 HIS A 919 12.985 6.886 4.057 1.00 0.00 H new ATOM 0 HD2 HIS A 919 10.767 6.642 7.599 1.00 0.00 H new ATOM 0 HE1 HIS A 919 14.643 7.137 5.963 1.00 0.00 H new ATOM 216 N ALA A 920 8.579 4.760 2.521 1.00 0.00 N ATOM 217 CA ALA A 920 7.419 4.674 1.643 1.00 0.00 C ATOM 218 C ALA A 920 6.630 3.393 1.893 1.00 0.00 C ATOM 219 O ALA A 920 5.403 3.411 1.921 1.00 0.00 O ATOM 220 CB ALA A 920 7.838 4.759 0.184 1.00 0.00 C ATOM 0 H ALA A 920 9.475 4.645 2.048 1.00 0.00 H new ATOM 0 HA ALA A 920 6.771 5.521 1.869 1.00 0.00 H new ATOM 0 HB1 ALA A 920 6.956 4.693 -0.452 1.00 0.00 H new ATOM 0 HB2 ALA A 920 8.344 5.708 0.005 1.00 0.00 H new ATOM 0 HB3 ALA A 920 8.516 3.937 -0.048 1.00 0.00 H new ATOM 226 N ALA A 921 7.337 2.288 2.088 1.00 0.00 N ATOM 227 CA ALA A 921 6.688 1.008 2.334 1.00 0.00 C ATOM 228 C ALA A 921 5.951 1.020 3.668 1.00 0.00 C ATOM 229 O ALA A 921 4.883 0.427 3.803 1.00 0.00 O ATOM 230 CB ALA A 921 7.703 -0.123 2.292 1.00 0.00 C ATOM 0 H ALA A 921 8.356 2.252 2.081 1.00 0.00 H new ATOM 0 HA ALA A 921 5.955 0.842 1.544 1.00 0.00 H new ATOM 0 HB1 ALA A 921 7.199 -1.071 2.478 1.00 0.00 H new ATOM 0 HB2 ALA A 921 8.177 -0.150 1.311 1.00 0.00 H new ATOM 0 HB3 ALA A 921 8.462 0.041 3.057 1.00 0.00 H new ATOM 236 N LYS A 922 6.518 1.719 4.645 1.00 0.00 N ATOM 237 CA LYS A 922 5.899 1.828 5.963 1.00 0.00 C ATOM 238 C LYS A 922 4.593 2.611 5.884 1.00 0.00 C ATOM 239 O LYS A 922 3.578 2.191 6.441 1.00 0.00 O ATOM 240 CB LYS A 922 6.861 2.494 6.948 1.00 0.00 C ATOM 241 CG LYS A 922 8.137 1.701 7.154 1.00 0.00 C ATOM 242 CD LYS A 922 9.182 2.480 7.937 1.00 0.00 C ATOM 243 CE LYS A 922 8.884 2.503 9.425 1.00 0.00 C ATOM 244 NZ LYS A 922 9.986 3.144 10.187 1.00 0.00 N ATOM 0 H LYS A 922 7.403 2.218 4.551 1.00 0.00 H new ATOM 0 HA LYS A 922 5.673 0.823 6.320 1.00 0.00 H new ATOM 0 HB2 LYS A 922 7.113 3.490 6.585 1.00 0.00 H new ATOM 0 HB3 LYS A 922 6.360 2.622 7.907 1.00 0.00 H new ATOM 0 HG2 LYS A 922 7.906 0.776 7.682 1.00 0.00 H new ATOM 0 HG3 LYS A 922 8.548 1.420 6.184 1.00 0.00 H new ATOM 0 HD2 LYS A 922 10.163 2.036 7.772 1.00 0.00 H new ATOM 0 HD3 LYS A 922 9.228 3.502 7.561 1.00 0.00 H new ATOM 0 HE2 LYS A 922 7.954 3.043 9.603 1.00 0.00 H new ATOM 0 HE3 LYS A 922 8.735 1.485 9.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 922 9.793 3.069 11.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 922 10.883 2.666 9.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 922 10.055 4.147 9.921 1.00 0.00 H new ATOM 258 N GLN A 923 4.616 3.741 5.181 1.00 0.00 N ATOM 259 CA GLN A 923 3.416 4.556 5.037 1.00 0.00 C ATOM 260 C GLN A 923 2.409 3.862 4.125 1.00 0.00 C ATOM 261 O GLN A 923 1.203 4.018 4.292 1.00 0.00 O ATOM 262 CB GLN A 923 3.744 5.953 4.496 1.00 0.00 C ATOM 263 CG GLN A 923 4.259 5.953 3.068 1.00 0.00 C ATOM 264 CD GLN A 923 4.407 7.342 2.488 1.00 0.00 C ATOM 265 OE1 GLN A 923 4.677 8.309 3.202 1.00 0.00 O ATOM 266 NE2 GLN A 923 4.226 7.449 1.184 1.00 0.00 N ATOM 0 H GLN A 923 5.442 4.108 4.708 1.00 0.00 H new ATOM 0 HA GLN A 923 2.978 4.676 6.028 1.00 0.00 H new ATOM 0 HB2 GLN A 923 2.849 6.572 4.549 1.00 0.00 H new ATOM 0 HB3 GLN A 923 4.490 6.416 5.141 1.00 0.00 H new ATOM 0 HG2 GLN A 923 5.225 5.449 3.037 1.00 0.00 H new ATOM 0 HG3 GLN A 923 3.578 5.376 2.443 1.00 0.00 H new ATOM 0 HE21 GLN A 923 4.004 6.622 0.630 1.00 0.00 H new ATOM 0 HE22 GLN A 923 4.309 8.359 0.731 1.00 0.00 H new ATOM 275 N ALA A 924 2.910 3.093 3.162 1.00 0.00 N ATOM 276 CA ALA A 924 2.051 2.311 2.286 1.00 0.00 C ATOM 277 C ALA A 924 1.338 1.233 3.085 1.00 0.00 C ATOM 278 O ALA A 924 0.125 1.069 2.976 1.00 0.00 O ATOM 279 CB ALA A 924 2.854 1.693 1.150 1.00 0.00 C ATOM 0 H ALA A 924 3.907 2.997 2.971 1.00 0.00 H new ATOM 0 HA ALA A 924 1.306 2.975 1.848 1.00 0.00 H new ATOM 0 HB1 ALA A 924 2.190 1.113 0.509 1.00 0.00 H new ATOM 0 HB2 ALA A 924 3.325 2.483 0.565 1.00 0.00 H new ATOM 0 HB3 ALA A 924 3.623 1.039 1.562 1.00 0.00 H new ATOM 285 N ALA A 925 2.101 0.523 3.909 1.00 0.00 N ATOM 286 CA ALA A 925 1.547 -0.496 4.792 1.00 0.00 C ATOM 287 C ALA A 925 0.513 0.117 5.736 1.00 0.00 C ATOM 288 O ALA A 925 -0.550 -0.461 5.980 1.00 0.00 O ATOM 289 CB ALA A 925 2.668 -1.170 5.577 1.00 0.00 C ATOM 0 H ALA A 925 3.112 0.636 3.983 1.00 0.00 H new ATOM 0 HA ALA A 925 1.044 -1.251 4.188 1.00 0.00 H new ATOM 0 HB1 ALA A 925 2.246 -1.930 6.234 1.00 0.00 H new ATOM 0 HB2 ALA A 925 3.367 -1.638 4.884 1.00 0.00 H new ATOM 0 HB3 ALA A 925 3.193 -0.425 6.174 1.00 0.00 H new ATOM 295 N ALA A 926 0.826 1.306 6.244 1.00 0.00 N ATOM 296 CA ALA A 926 -0.080 2.039 7.122 1.00 0.00 C ATOM 297 C ALA A 926 -1.360 2.423 6.388 1.00 0.00 C ATOM 298 O ALA A 926 -2.464 2.113 6.835 1.00 0.00 O ATOM 299 CB ALA A 926 0.604 3.287 7.654 1.00 0.00 C ATOM 0 H ALA A 926 1.708 1.785 6.060 1.00 0.00 H new ATOM 0 HA ALA A 926 -0.344 1.389 7.956 1.00 0.00 H new ATOM 0 HB1 ALA A 926 -0.081 3.827 8.308 1.00 0.00 H new ATOM 0 HB2 ALA A 926 1.494 3.003 8.216 1.00 0.00 H new ATOM 0 HB3 ALA A 926 0.890 3.928 6.820 1.00 0.00 H new ATOM 305 N SER A 927 -1.195 3.090 5.252 1.00 0.00 N ATOM 306 CA SER A 927 -2.319 3.549 4.448 1.00 0.00 C ATOM 307 C SER A 927 -3.173 2.371 3.984 1.00 0.00 C ATOM 308 O SER A 927 -4.398 2.472 3.910 1.00 0.00 O ATOM 309 CB SER A 927 -1.801 4.337 3.248 1.00 0.00 C ATOM 310 OG SER A 927 -0.993 5.423 3.667 1.00 0.00 O ATOM 0 H SER A 927 -0.282 3.327 4.864 1.00 0.00 H new ATOM 0 HA SER A 927 -2.947 4.197 5.060 1.00 0.00 H new ATOM 0 HB2 SER A 927 -1.224 3.679 2.597 1.00 0.00 H new ATOM 0 HB3 SER A 927 -2.641 4.709 2.662 1.00 0.00 H new ATOM 0 HG SER A 927 -0.109 5.091 3.931 1.00 0.00 H new ATOM 316 N ALA A 928 -2.523 1.255 3.683 1.00 0.00 N ATOM 317 CA ALA A 928 -3.224 0.039 3.304 1.00 0.00 C ATOM 318 C ALA A 928 -4.103 -0.440 4.447 1.00 0.00 C ATOM 319 O ALA A 928 -5.282 -0.727 4.251 1.00 0.00 O ATOM 320 CB ALA A 928 -2.238 -1.042 2.908 1.00 0.00 C ATOM 0 H ALA A 928 -1.507 1.168 3.695 1.00 0.00 H new ATOM 0 HA ALA A 928 -3.858 0.259 2.445 1.00 0.00 H new ATOM 0 HB1 ALA A 928 -2.781 -1.945 2.628 1.00 0.00 H new ATOM 0 HB2 ALA A 928 -1.642 -0.699 2.062 1.00 0.00 H new ATOM 0 HB3 ALA A 928 -1.581 -1.261 3.749 1.00 0.00 H new ATOM 326 N THR A 929 -3.524 -0.500 5.640 1.00 0.00 N ATOM 327 CA THR A 929 -4.256 -0.910 6.831 1.00 0.00 C ATOM 328 C THR A 929 -5.439 0.027 7.081 1.00 0.00 C ATOM 329 O THR A 929 -6.542 -0.418 7.399 1.00 0.00 O ATOM 330 CB THR A 929 -3.330 -0.929 8.067 1.00 0.00 C ATOM 331 OG1 THR A 929 -2.151 -1.699 7.785 1.00 0.00 O ATOM 332 CG2 THR A 929 -4.043 -1.524 9.273 1.00 0.00 C ATOM 0 H THR A 929 -2.545 -0.269 5.808 1.00 0.00 H new ATOM 0 HA THR A 929 -4.632 -1.919 6.664 1.00 0.00 H new ATOM 0 HB THR A 929 -3.052 0.100 8.297 1.00 0.00 H new ATOM 0 HG1 THR A 929 -1.554 -1.182 7.205 1.00 0.00 H new ATOM 0 HG21 THR A 929 -3.369 -1.526 10.130 1.00 0.00 H new ATOM 0 HG22 THR A 929 -4.924 -0.927 9.506 1.00 0.00 H new ATOM 0 HG23 THR A 929 -4.347 -2.546 9.048 1.00 0.00 H new ATOM 340 N GLN A 930 -5.207 1.326 6.906 1.00 0.00 N ATOM 341 CA GLN A 930 -6.263 2.322 7.063 1.00 0.00 C ATOM 342 C GLN A 930 -7.368 2.118 6.031 1.00 0.00 C ATOM 343 O GLN A 930 -8.554 2.172 6.361 1.00 0.00 O ATOM 344 CB GLN A 930 -5.694 3.738 6.947 1.00 0.00 C ATOM 345 CG GLN A 930 -4.844 4.158 8.135 1.00 0.00 C ATOM 346 CD GLN A 930 -5.627 4.171 9.434 1.00 0.00 C ATOM 347 OE1 GLN A 930 -6.248 5.175 9.788 1.00 0.00 O ATOM 348 NE2 GLN A 930 -5.597 3.064 10.161 1.00 0.00 N ATOM 0 H GLN A 930 -4.297 1.713 6.655 1.00 0.00 H new ATOM 0 HA GLN A 930 -6.692 2.196 8.057 1.00 0.00 H new ATOM 0 HB2 GLN A 930 -5.092 3.804 6.040 1.00 0.00 H new ATOM 0 HB3 GLN A 930 -6.518 4.442 6.835 1.00 0.00 H new ATOM 0 HG2 GLN A 930 -3.998 3.477 8.231 1.00 0.00 H new ATOM 0 HG3 GLN A 930 -4.434 5.151 7.951 1.00 0.00 H new ATOM 0 HE21 GLN A 930 -5.071 2.253 9.834 1.00 0.00 H new ATOM 0 HE22 GLN A 930 -6.099 3.022 11.048 1.00 0.00 H new ATOM 357 N THR A 931 -6.979 1.879 4.785 1.00 0.00 N ATOM 358 CA THR A 931 -7.944 1.649 3.721 1.00 0.00 C ATOM 359 C THR A 931 -8.717 0.356 3.975 1.00 0.00 C ATOM 360 O THR A 931 -9.929 0.303 3.782 1.00 0.00 O ATOM 361 CB THR A 931 -7.256 1.590 2.341 1.00 0.00 C ATOM 362 OG1 THR A 931 -6.429 2.748 2.165 1.00 0.00 O ATOM 363 CG2 THR A 931 -8.283 1.530 1.219 1.00 0.00 C ATOM 0 H THR A 931 -6.004 1.840 4.488 1.00 0.00 H new ATOM 0 HA THR A 931 -8.640 2.488 3.717 1.00 0.00 H new ATOM 0 HB THR A 931 -6.647 0.687 2.302 1.00 0.00 H new ATOM 0 HG1 THR A 931 -5.620 2.658 2.710 1.00 0.00 H new ATOM 0 HG21 THR A 931 -7.770 1.489 0.258 1.00 0.00 H new ATOM 0 HG22 THR A 931 -8.901 0.640 1.339 1.00 0.00 H new ATOM 0 HG23 THR A 931 -8.914 2.418 1.256 1.00 0.00 H new ATOM 371 N ILE A 932 -8.009 -0.676 4.432 1.00 0.00 N ATOM 372 CA ILE A 932 -8.633 -1.941 4.804 1.00 0.00 C ATOM 373 C ILE A 932 -9.679 -1.724 5.894 1.00 0.00 C ATOM 374 O ILE A 932 -10.813 -2.186 5.778 1.00 0.00 O ATOM 375 CB ILE A 932 -7.582 -2.969 5.291 1.00 0.00 C ATOM 376 CG1 ILE A 932 -6.758 -3.486 4.108 1.00 0.00 C ATOM 377 CG2 ILE A 932 -8.245 -4.124 6.035 1.00 0.00 C ATOM 378 CD1 ILE A 932 -5.687 -4.484 4.497 1.00 0.00 C ATOM 0 H ILE A 932 -6.996 -0.658 4.553 1.00 0.00 H new ATOM 0 HA ILE A 932 -9.118 -2.339 3.913 1.00 0.00 H new ATOM 0 HB ILE A 932 -6.912 -2.467 5.989 1.00 0.00 H new ATOM 0 HG12 ILE A 932 -7.429 -3.951 3.386 1.00 0.00 H new ATOM 0 HG13 ILE A 932 -6.288 -2.640 3.608 1.00 0.00 H new ATOM 0 HG21 ILE A 932 -7.483 -4.830 6.365 1.00 0.00 H new ATOM 0 HG22 ILE A 932 -8.782 -3.738 6.902 1.00 0.00 H new ATOM 0 HG23 ILE A 932 -8.945 -4.631 5.371 1.00 0.00 H new ATOM 0 HD11 ILE A 932 -5.147 -4.804 3.606 1.00 0.00 H new ATOM 0 HD12 ILE A 932 -4.992 -4.018 5.195 1.00 0.00 H new ATOM 0 HD13 ILE A 932 -6.151 -5.350 4.970 1.00 0.00 H new ATOM 390 N ALA A 933 -9.289 -1.006 6.942 1.00 0.00 N ATOM 391 CA ALA A 933 -10.177 -0.734 8.064 1.00 0.00 C ATOM 392 C ALA A 933 -11.450 -0.031 7.602 1.00 0.00 C ATOM 393 O ALA A 933 -12.547 -0.375 8.036 1.00 0.00 O ATOM 394 CB ALA A 933 -9.461 0.101 9.116 1.00 0.00 C ATOM 0 H ALA A 933 -8.358 -0.600 7.037 1.00 0.00 H new ATOM 0 HA ALA A 933 -10.462 -1.688 8.507 1.00 0.00 H new ATOM 0 HB1 ALA A 933 -10.138 0.296 9.948 1.00 0.00 H new ATOM 0 HB2 ALA A 933 -8.587 -0.441 9.478 1.00 0.00 H new ATOM 0 HB3 ALA A 933 -9.145 1.047 8.676 1.00 0.00 H new ATOM 400 N ALA A 934 -11.300 0.939 6.708 1.00 0.00 N ATOM 401 CA ALA A 934 -12.442 1.673 6.181 1.00 0.00 C ATOM 402 C ALA A 934 -13.266 0.797 5.237 1.00 0.00 C ATOM 403 O ALA A 934 -14.496 0.877 5.216 1.00 0.00 O ATOM 404 CB ALA A 934 -11.981 2.938 5.471 1.00 0.00 C ATOM 0 H ALA A 934 -10.399 1.235 6.333 1.00 0.00 H new ATOM 0 HA ALA A 934 -13.078 1.958 7.019 1.00 0.00 H new ATOM 0 HB1 ALA A 934 -12.847 3.474 5.083 1.00 0.00 H new ATOM 0 HB2 ALA A 934 -11.445 3.575 6.174 1.00 0.00 H new ATOM 0 HB3 ALA A 934 -11.320 2.672 4.646 1.00 0.00 H new ATOM 410 N ALA A 935 -12.578 -0.048 4.477 1.00 0.00 N ATOM 411 CA ALA A 935 -13.225 -0.923 3.501 1.00 0.00 C ATOM 412 C ALA A 935 -14.139 -1.941 4.175 1.00 0.00 C ATOM 413 O ALA A 935 -15.196 -2.287 3.649 1.00 0.00 O ATOM 414 CB ALA A 935 -12.178 -1.635 2.656 1.00 0.00 C ATOM 0 H ALA A 935 -11.564 -0.147 4.518 1.00 0.00 H new ATOM 0 HA ALA A 935 -13.843 -0.299 2.856 1.00 0.00 H new ATOM 0 HB1 ALA A 935 -12.673 -2.283 1.933 1.00 0.00 H new ATOM 0 HB2 ALA A 935 -11.574 -0.897 2.128 1.00 0.00 H new ATOM 0 HB3 ALA A 935 -11.536 -2.235 3.301 1.00 0.00 H new ATOM 420 N GLN A 936 -13.739 -2.418 5.343 1.00 0.00 N ATOM 421 CA GLN A 936 -14.536 -3.401 6.064 1.00 0.00 C ATOM 422 C GLN A 936 -15.322 -2.753 7.201 1.00 0.00 C ATOM 423 O GLN A 936 -15.708 -3.421 8.160 1.00 0.00 O ATOM 424 CB GLN A 936 -13.642 -4.520 6.607 1.00 0.00 C ATOM 425 CG GLN A 936 -12.536 -4.042 7.534 1.00 0.00 C ATOM 426 CD GLN A 936 -11.632 -5.171 7.985 1.00 0.00 C ATOM 427 OE1 GLN A 936 -11.448 -6.158 7.271 1.00 0.00 O ATOM 428 NE2 GLN A 936 -11.059 -5.039 9.168 1.00 0.00 N ATOM 0 H GLN A 936 -12.875 -2.144 5.810 1.00 0.00 H new ATOM 0 HA GLN A 936 -15.251 -3.829 5.362 1.00 0.00 H new ATOM 0 HB2 GLN A 936 -14.263 -5.238 7.142 1.00 0.00 H new ATOM 0 HB3 GLN A 936 -13.193 -5.050 5.767 1.00 0.00 H new ATOM 0 HG2 GLN A 936 -11.940 -3.285 7.024 1.00 0.00 H new ATOM 0 HG3 GLN A 936 -12.979 -3.564 8.408 1.00 0.00 H new ATOM 0 HE21 GLN A 936 -11.236 -4.207 9.730 1.00 0.00 H new ATOM 0 HE22 GLN A 936 -10.440 -5.769 9.519 1.00 0.00 H new ATOM 437 N HIS A 937 -15.573 -1.457 7.087 1.00 0.00 N ATOM 438 CA HIS A 937 -16.334 -0.745 8.109 1.00 0.00 C ATOM 439 C HIS A 937 -17.274 0.281 7.477 1.00 0.00 C ATOM 440 O HIS A 937 -18.493 0.127 7.525 1.00 0.00 O ATOM 441 CB HIS A 937 -15.386 -0.058 9.099 1.00 0.00 C ATOM 442 CG HIS A 937 -16.062 0.485 10.323 1.00 0.00 C ATOM 443 ND1 HIS A 937 -16.083 -0.183 11.529 1.00 0.00 N ATOM 444 CD2 HIS A 937 -16.731 1.643 10.528 1.00 0.00 C ATOM 445 CE1 HIS A 937 -16.733 0.542 12.420 1.00 0.00 C ATOM 446 NE2 HIS A 937 -17.138 1.655 11.839 1.00 0.00 N ATOM 0 H HIS A 937 -15.265 -0.879 6.305 1.00 0.00 H new ATOM 0 HA HIS A 937 -16.939 -1.473 8.649 1.00 0.00 H new ATOM 0 HB2 HIS A 937 -14.621 -0.771 9.406 1.00 0.00 H new ATOM 0 HB3 HIS A 937 -14.874 0.758 8.588 1.00 0.00 H new ATOM 0 HD2 HIS A 937 -16.912 2.416 9.795 1.00 0.00 H new ATOM 0 HE1 HIS A 937 -16.904 0.270 13.451 1.00 0.00 H new ATOM 0 HE2 HIS A 937 -17.667 2.402 12.290 1.00 0.00 H new ATOM 454 N ALA A 938 -16.706 1.313 6.873 1.00 0.00 N ATOM 455 CA ALA A 938 -17.501 2.400 6.313 1.00 0.00 C ATOM 456 C ALA A 938 -18.004 2.060 4.919 1.00 0.00 C ATOM 457 O ALA A 938 -19.072 2.518 4.509 1.00 0.00 O ATOM 458 CB ALA A 938 -16.692 3.684 6.269 1.00 0.00 C ATOM 0 H ALA A 938 -15.699 1.423 6.757 1.00 0.00 H new ATOM 0 HA ALA A 938 -18.365 2.542 6.963 1.00 0.00 H new ATOM 0 HB1 ALA A 938 -17.301 4.484 5.848 1.00 0.00 H new ATOM 0 HB2 ALA A 938 -16.384 3.955 7.279 1.00 0.00 H new ATOM 0 HB3 ALA A 938 -15.808 3.536 5.648 1.00 0.00 H new ATOM 464 N ALA A 939 -17.227 1.262 4.198 1.00 0.00 N ATOM 465 CA ALA A 939 -17.568 0.876 2.839 1.00 0.00 C ATOM 466 C ALA A 939 -18.813 0.018 2.816 1.00 0.00 C ATOM 467 O ALA A 939 -18.775 -1.182 3.089 1.00 0.00 O ATOM 468 CB ALA A 939 -16.409 0.162 2.174 1.00 0.00 C ATOM 0 H ALA A 939 -16.350 0.868 4.537 1.00 0.00 H new ATOM 0 HA ALA A 939 -17.775 1.785 2.274 1.00 0.00 H new ATOM 0 HB1 ALA A 939 -16.688 -0.117 1.158 1.00 0.00 H new ATOM 0 HB2 ALA A 939 -15.543 0.824 2.144 1.00 0.00 H new ATOM 0 HB3 ALA A 939 -16.161 -0.735 2.741 1.00 0.00 H new ATOM 474 N SER A 940 -19.918 0.667 2.528 1.00 0.00 N ATOM 475 CA SER A 940 -21.186 0.004 2.398 1.00 0.00 C ATOM 476 C SER A 940 -21.566 -0.045 0.927 1.00 0.00 C ATOM 477 O SER A 940 -20.989 0.664 0.099 1.00 0.00 O ATOM 478 CB SER A 940 -22.252 0.746 3.211 1.00 0.00 C ATOM 479 OG SER A 940 -23.418 -0.043 3.395 1.00 0.00 O ATOM 0 H SER A 940 -19.958 1.675 2.377 1.00 0.00 H new ATOM 0 HA SER A 940 -21.116 -1.013 2.784 1.00 0.00 H new ATOM 0 HB2 SER A 940 -21.842 1.021 4.183 1.00 0.00 H new ATOM 0 HB3 SER A 940 -22.517 1.673 2.703 1.00 0.00 H new ATOM 0 HG SER A 940 -24.075 0.461 3.919 1.00 0.00 H new ATOM 485 N ALA A 941 -22.518 -0.890 0.612 1.00 0.00 N ATOM 486 CA ALA A 941 -23.010 -1.035 -0.744 1.00 0.00 C ATOM 487 C ALA A 941 -24.488 -1.389 -0.718 1.00 0.00 C ATOM 488 O ALA A 941 -24.948 -2.021 0.232 1.00 0.00 O ATOM 489 CB ALA A 941 -22.215 -2.103 -1.485 1.00 0.00 C ATOM 0 H ALA A 941 -22.977 -1.500 1.288 1.00 0.00 H new ATOM 0 HA ALA A 941 -22.884 -0.090 -1.272 1.00 0.00 H new ATOM 0 HB1 ALA A 941 -22.596 -2.200 -2.502 1.00 0.00 H new ATOM 0 HB2 ALA A 941 -21.164 -1.817 -1.517 1.00 0.00 H new ATOM 0 HB3 ALA A 941 -22.316 -3.057 -0.967 1.00 0.00 H new ATOM 495 N PRO A 942 -25.252 -0.963 -1.741 1.00 0.00 N ATOM 496 CA PRO A 942 -26.679 -1.281 -1.846 1.00 0.00 C ATOM 497 C PRO A 942 -26.920 -2.787 -1.818 1.00 0.00 C ATOM 498 O PRO A 942 -26.701 -3.474 -2.816 1.00 0.00 O ATOM 499 CB PRO A 942 -27.085 -0.691 -3.198 1.00 0.00 C ATOM 500 CG PRO A 942 -26.074 0.363 -3.474 1.00 0.00 C ATOM 501 CD PRO A 942 -24.794 -0.130 -2.865 1.00 0.00 C ATOM 0 HA PRO A 942 -27.256 -0.878 -1.014 1.00 0.00 H new ATOM 0 HB2 PRO A 942 -27.085 -1.453 -3.978 1.00 0.00 H new ATOM 0 HB3 PRO A 942 -28.091 -0.273 -3.161 1.00 0.00 H new ATOM 0 HG2 PRO A 942 -25.960 0.525 -4.546 1.00 0.00 H new ATOM 0 HG3 PRO A 942 -26.373 1.316 -3.038 1.00 0.00 H new ATOM 0 HD2 PRO A 942 -24.205 -0.706 -3.579 1.00 0.00 H new ATOM 0 HD3 PRO A 942 -24.167 0.694 -2.525 1.00 0.00 H new ATOM 509 N LYS A 943 -27.368 -3.273 -0.664 1.00 0.00 N ATOM 510 CA LYS A 943 -27.521 -4.706 -0.401 1.00 0.00 C ATOM 511 C LYS A 943 -28.288 -5.427 -1.507 1.00 0.00 C ATOM 512 O LYS A 943 -27.860 -6.483 -1.977 1.00 0.00 O ATOM 513 CB LYS A 943 -28.233 -4.907 0.937 1.00 0.00 C ATOM 514 CG LYS A 943 -27.442 -4.396 2.132 1.00 0.00 C ATOM 515 CD LYS A 943 -28.279 -4.398 3.404 1.00 0.00 C ATOM 516 CE LYS A 943 -28.771 -5.792 3.764 1.00 0.00 C ATOM 517 NZ LYS A 943 -27.657 -6.704 4.130 1.00 0.00 N ATOM 0 H LYS A 943 -27.638 -2.682 0.122 1.00 0.00 H new ATOM 0 HA LYS A 943 -26.521 -5.139 -0.368 1.00 0.00 H new ATOM 0 HB2 LYS A 943 -29.197 -4.399 0.906 1.00 0.00 H new ATOM 0 HB3 LYS A 943 -28.437 -5.969 1.074 1.00 0.00 H new ATOM 0 HG2 LYS A 943 -26.559 -5.018 2.277 1.00 0.00 H new ATOM 0 HG3 LYS A 943 -27.090 -3.384 1.930 1.00 0.00 H new ATOM 0 HD2 LYS A 943 -27.687 -3.999 4.228 1.00 0.00 H new ATOM 0 HD3 LYS A 943 -29.134 -3.734 3.276 1.00 0.00 H new ATOM 0 HE2 LYS A 943 -29.471 -5.724 4.597 1.00 0.00 H new ATOM 0 HE3 LYS A 943 -29.319 -6.211 2.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 943 -28.045 -7.609 4.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 943 -27.057 -6.871 3.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 943 -27.088 -6.271 4.885 1.00 0.00 H new ATOM 531 N ALA A 944 -29.413 -4.864 -1.918 1.00 0.00 N ATOM 532 CA ALA A 944 -30.242 -5.495 -2.935 1.00 0.00 C ATOM 533 C ALA A 944 -30.342 -4.630 -4.185 1.00 0.00 C ATOM 534 O ALA A 944 -30.555 -5.138 -5.287 1.00 0.00 O ATOM 535 CB ALA A 944 -31.628 -5.782 -2.377 1.00 0.00 C ATOM 0 H ALA A 944 -29.772 -3.977 -1.566 1.00 0.00 H new ATOM 0 HA ALA A 944 -29.770 -6.436 -3.218 1.00 0.00 H new ATOM 0 HB1 ALA A 944 -32.239 -6.254 -3.146 1.00 0.00 H new ATOM 0 HB2 ALA A 944 -31.544 -6.450 -1.520 1.00 0.00 H new ATOM 0 HB3 ALA A 944 -32.095 -4.848 -2.065 1.00 0.00 H new ATOM 541 N SER A 945 -30.173 -3.325 -4.012 1.00 0.00 N ATOM 542 CA SER A 945 -30.298 -2.378 -5.114 1.00 0.00 C ATOM 543 C SER A 945 -29.221 -2.598 -6.178 1.00 0.00 C ATOM 544 O SER A 945 -29.435 -2.311 -7.357 1.00 0.00 O ATOM 545 CB SER A 945 -30.220 -0.946 -4.585 1.00 0.00 C ATOM 546 OG SER A 945 -31.147 -0.735 -3.533 1.00 0.00 O ATOM 0 H SER A 945 -29.948 -2.896 -3.114 1.00 0.00 H new ATOM 0 HA SER A 945 -31.268 -2.544 -5.583 1.00 0.00 H new ATOM 0 HB2 SER A 945 -29.210 -0.742 -4.229 1.00 0.00 H new ATOM 0 HB3 SER A 945 -30.420 -0.245 -5.395 1.00 0.00 H new ATOM 0 HG SER A 945 -31.074 0.188 -3.213 1.00 0.00 H new ATOM 552 N ALA A 946 -28.067 -3.111 -5.763 1.00 0.00 N ATOM 553 CA ALA A 946 -26.962 -3.337 -6.689 1.00 0.00 C ATOM 554 C ALA A 946 -26.171 -4.582 -6.305 1.00 0.00 C ATOM 555 O ALA A 946 -25.920 -5.455 -7.138 1.00 0.00 O ATOM 556 CB ALA A 946 -26.049 -2.121 -6.730 1.00 0.00 C ATOM 0 H ALA A 946 -27.873 -3.377 -4.798 1.00 0.00 H new ATOM 0 HA ALA A 946 -27.381 -3.496 -7.683 1.00 0.00 H new ATOM 0 HB1 ALA A 946 -25.230 -2.305 -7.425 1.00 0.00 H new ATOM 0 HB2 ALA A 946 -26.617 -1.251 -7.060 1.00 0.00 H new ATOM 0 HB3 ALA A 946 -25.646 -1.935 -5.735 1.00 0.00 H new ATOM 562 N GLY A 947 -25.785 -4.662 -5.042 1.00 0.00 N ATOM 563 CA GLY A 947 -24.998 -5.781 -4.572 1.00 0.00 C ATOM 564 C GLY A 947 -23.885 -5.336 -3.648 1.00 0.00 C ATOM 565 O GLY A 947 -23.197 -4.353 -3.934 1.00 0.00 O ATOM 0 H GLY A 947 -26.005 -3.966 -4.329 1.00 0.00 H new ATOM 0 HA2 GLY A 947 -25.644 -6.486 -4.049 1.00 0.00 H new ATOM 0 HA3 GLY A 947 -24.573 -6.310 -5.425 1.00 0.00 H new ATOM 569 N PRO A 948 -23.698 -6.033 -2.520 1.00 0.00 N ATOM 570 CA PRO A 948 -22.639 -5.720 -1.564 1.00 0.00 C ATOM 571 C PRO A 948 -21.289 -6.309 -1.981 1.00 0.00 C ATOM 572 O PRO A 948 -21.191 -6.979 -3.013 1.00 0.00 O ATOM 573 CB PRO A 948 -23.143 -6.366 -0.276 1.00 0.00 C ATOM 574 CG PRO A 948 -23.952 -7.536 -0.727 1.00 0.00 C ATOM 575 CD PRO A 948 -24.518 -7.178 -2.079 1.00 0.00 C ATOM 0 HA PRO A 948 -22.457 -4.649 -1.477 1.00 0.00 H new ATOM 0 HB2 PRO A 948 -22.315 -6.679 0.360 1.00 0.00 H new ATOM 0 HB3 PRO A 948 -23.746 -5.669 0.306 1.00 0.00 H new ATOM 0 HG2 PRO A 948 -23.334 -8.432 -0.791 1.00 0.00 H new ATOM 0 HG3 PRO A 948 -24.751 -7.750 -0.017 1.00 0.00 H new ATOM 0 HD2 PRO A 948 -24.445 -8.013 -2.776 1.00 0.00 H new ATOM 0 HD3 PRO A 948 -25.573 -6.911 -2.012 1.00 0.00 H new ATOM 583 N GLN A 949 -20.264 -6.055 -1.169 1.00 0.00 N ATOM 584 CA GLN A 949 -18.897 -6.509 -1.441 1.00 0.00 C ATOM 585 C GLN A 949 -18.414 -6.044 -2.815 1.00 0.00 C ATOM 586 O GLN A 949 -18.421 -6.809 -3.782 1.00 0.00 O ATOM 587 CB GLN A 949 -18.762 -8.035 -1.322 1.00 0.00 C ATOM 588 CG GLN A 949 -19.033 -8.575 0.076 1.00 0.00 C ATOM 589 CD GLN A 949 -20.495 -8.895 0.314 1.00 0.00 C ATOM 590 OE1 GLN A 949 -21.212 -9.298 -0.603 1.00 0.00 O ATOM 591 NE2 GLN A 949 -20.945 -8.715 1.544 1.00 0.00 N ATOM 0 H GLN A 949 -20.356 -5.527 -0.301 1.00 0.00 H new ATOM 0 HA GLN A 949 -18.263 -6.055 -0.679 1.00 0.00 H new ATOM 0 HB2 GLN A 949 -19.452 -8.506 -2.022 1.00 0.00 H new ATOM 0 HB3 GLN A 949 -17.755 -8.325 -1.623 1.00 0.00 H new ATOM 0 HG2 GLN A 949 -18.439 -9.476 0.233 1.00 0.00 H new ATOM 0 HG3 GLN A 949 -18.702 -7.843 0.813 1.00 0.00 H new ATOM 0 HE21 GLN A 949 -20.316 -8.379 2.273 1.00 0.00 H new ATOM 0 HE22 GLN A 949 -21.921 -8.912 1.764 1.00 0.00 H new ATOM 600 N PRO A 950 -17.999 -4.773 -2.920 1.00 0.00 N ATOM 601 CA PRO A 950 -17.492 -4.190 -4.166 1.00 0.00 C ATOM 602 C PRO A 950 -16.037 -4.579 -4.427 1.00 0.00 C ATOM 603 O PRO A 950 -15.188 -3.719 -4.657 1.00 0.00 O ATOM 604 CB PRO A 950 -17.610 -2.674 -3.930 1.00 0.00 C ATOM 605 CG PRO A 950 -18.267 -2.514 -2.593 1.00 0.00 C ATOM 606 CD PRO A 950 -18.006 -3.784 -1.843 1.00 0.00 C ATOM 0 HA PRO A 950 -18.046 -4.539 -5.037 1.00 0.00 H new ATOM 0 HB2 PRO A 950 -16.629 -2.200 -3.942 1.00 0.00 H new ATOM 0 HB3 PRO A 950 -18.202 -2.202 -4.714 1.00 0.00 H new ATOM 0 HG2 PRO A 950 -17.859 -1.656 -2.059 1.00 0.00 H new ATOM 0 HG3 PRO A 950 -19.337 -2.341 -2.704 1.00 0.00 H new ATOM 0 HD2 PRO A 950 -17.056 -3.755 -1.309 1.00 0.00 H new ATOM 0 HD3 PRO A 950 -18.781 -3.989 -1.105 1.00 0.00 H new ATOM 614 N LEU A 951 -15.763 -5.886 -4.363 1.00 0.00 N ATOM 615 CA LEU A 951 -14.425 -6.451 -4.600 1.00 0.00 C ATOM 616 C LEU A 951 -13.448 -6.126 -3.471 1.00 0.00 C ATOM 617 O LEU A 951 -12.409 -6.773 -3.351 1.00 0.00 O ATOM 618 CB LEU A 951 -13.833 -6.000 -5.948 1.00 0.00 C ATOM 619 CG LEU A 951 -14.465 -6.623 -7.200 1.00 0.00 C ATOM 620 CD1 LEU A 951 -14.589 -8.132 -7.049 1.00 0.00 C ATOM 621 CD2 LEU A 951 -15.814 -5.995 -7.503 1.00 0.00 C ATOM 0 H LEU A 951 -16.468 -6.590 -4.144 1.00 0.00 H new ATOM 0 HA LEU A 951 -14.564 -7.532 -4.630 1.00 0.00 H new ATOM 0 HB2 LEU A 951 -13.926 -4.916 -6.019 1.00 0.00 H new ATOM 0 HB3 LEU A 951 -12.767 -6.230 -5.950 1.00 0.00 H new ATOM 0 HG LEU A 951 -13.806 -6.420 -8.044 1.00 0.00 H new ATOM 0 HD11 LEU A 951 -15.040 -8.552 -7.948 1.00 0.00 H new ATOM 0 HD12 LEU A 951 -13.600 -8.566 -6.902 1.00 0.00 H new ATOM 0 HD13 LEU A 951 -15.217 -8.361 -6.188 1.00 0.00 H new ATOM 0 HD21 LEU A 951 -16.238 -6.456 -8.395 1.00 0.00 H new ATOM 0 HD22 LEU A 951 -16.486 -6.152 -6.659 1.00 0.00 H new ATOM 0 HD23 LEU A 951 -15.688 -4.926 -7.672 1.00 0.00 H new ATOM 633 N LEU A 952 -13.787 -5.139 -2.647 1.00 0.00 N ATOM 634 CA LEU A 952 -12.942 -4.733 -1.527 1.00 0.00 C ATOM 635 C LEU A 952 -12.540 -5.913 -0.658 1.00 0.00 C ATOM 636 O LEU A 952 -11.386 -6.029 -0.267 1.00 0.00 O ATOM 637 CB LEU A 952 -13.654 -3.692 -0.666 1.00 0.00 C ATOM 638 CG LEU A 952 -13.590 -2.262 -1.195 1.00 0.00 C ATOM 639 CD1 LEU A 952 -14.404 -1.342 -0.307 1.00 0.00 C ATOM 640 CD2 LEU A 952 -12.145 -1.792 -1.263 1.00 0.00 C ATOM 0 H LEU A 952 -14.649 -4.601 -2.735 1.00 0.00 H new ATOM 0 HA LEU A 952 -12.037 -4.301 -1.955 1.00 0.00 H new ATOM 0 HB2 LEU A 952 -14.701 -3.980 -0.566 1.00 0.00 H new ATOM 0 HB3 LEU A 952 -13.221 -3.713 0.334 1.00 0.00 H new ATOM 0 HG LEU A 952 -14.010 -2.238 -2.200 1.00 0.00 H new ATOM 0 HD11 LEU A 952 -14.352 -0.324 -0.693 1.00 0.00 H new ATOM 0 HD12 LEU A 952 -15.442 -1.673 -0.295 1.00 0.00 H new ATOM 0 HD13 LEU A 952 -14.004 -1.367 0.707 1.00 0.00 H new ATOM 0 HD21 LEU A 952 -12.112 -0.770 -1.642 1.00 0.00 H new ATOM 0 HD22 LEU A 952 -11.705 -1.824 -0.266 1.00 0.00 H new ATOM 0 HD23 LEU A 952 -11.581 -2.445 -1.930 1.00 0.00 H new ATOM 652 N VAL A 953 -13.492 -6.792 -0.374 1.00 0.00 N ATOM 653 CA VAL A 953 -13.236 -7.951 0.472 1.00 0.00 C ATOM 654 C VAL A 953 -12.139 -8.833 -0.127 1.00 0.00 C ATOM 655 O VAL A 953 -11.302 -9.380 0.590 1.00 0.00 O ATOM 656 CB VAL A 953 -14.517 -8.788 0.677 1.00 0.00 C ATOM 657 CG1 VAL A 953 -14.261 -9.967 1.605 1.00 0.00 C ATOM 658 CG2 VAL A 953 -15.641 -7.916 1.219 1.00 0.00 C ATOM 0 H VAL A 953 -14.450 -6.725 -0.718 1.00 0.00 H new ATOM 0 HA VAL A 953 -12.903 -7.578 1.441 1.00 0.00 H new ATOM 0 HB VAL A 953 -14.819 -9.184 -0.292 1.00 0.00 H new ATOM 0 HG11 VAL A 953 -15.181 -10.538 1.730 1.00 0.00 H new ATOM 0 HG12 VAL A 953 -13.492 -10.608 1.175 1.00 0.00 H new ATOM 0 HG13 VAL A 953 -13.926 -9.600 2.575 1.00 0.00 H new ATOM 0 HG21 VAL A 953 -16.537 -8.522 1.358 1.00 0.00 H new ATOM 0 HG22 VAL A 953 -15.341 -7.488 2.175 1.00 0.00 H new ATOM 0 HG23 VAL A 953 -15.852 -7.113 0.512 1.00 0.00 H new ATOM 668 N GLN A 954 -12.129 -8.936 -1.449 1.00 0.00 N ATOM 669 CA GLN A 954 -11.169 -9.786 -2.137 1.00 0.00 C ATOM 670 C GLN A 954 -9.804 -9.108 -2.190 1.00 0.00 C ATOM 671 O GLN A 954 -8.782 -9.720 -1.867 1.00 0.00 O ATOM 672 CB GLN A 954 -11.654 -10.104 -3.556 1.00 0.00 C ATOM 673 CG GLN A 954 -13.107 -10.555 -3.621 1.00 0.00 C ATOM 674 CD GLN A 954 -13.417 -11.708 -2.683 1.00 0.00 C ATOM 675 OE1 GLN A 954 -12.563 -12.549 -2.401 1.00 0.00 O ATOM 676 NE2 GLN A 954 -14.644 -11.749 -2.191 1.00 0.00 N ATOM 0 H GLN A 954 -12.774 -8.442 -2.065 1.00 0.00 H new ATOM 0 HA GLN A 954 -11.077 -10.720 -1.583 1.00 0.00 H new ATOM 0 HB2 GLN A 954 -11.530 -9.219 -4.180 1.00 0.00 H new ATOM 0 HB3 GLN A 954 -11.022 -10.884 -3.980 1.00 0.00 H new ATOM 0 HG2 GLN A 954 -13.754 -9.712 -3.377 1.00 0.00 H new ATOM 0 HG3 GLN A 954 -13.343 -10.852 -4.643 1.00 0.00 H new ATOM 0 HE21 GLN A 954 -15.322 -11.032 -2.450 1.00 0.00 H new ATOM 0 HE22 GLN A 954 -14.913 -12.497 -1.552 1.00 0.00 H new ATOM 685 N SER A 955 -9.800 -7.838 -2.579 1.00 0.00 N ATOM 686 CA SER A 955 -8.571 -7.062 -2.665 1.00 0.00 C ATOM 687 C SER A 955 -7.925 -6.917 -1.287 1.00 0.00 C ATOM 688 O SER A 955 -6.701 -6.962 -1.156 1.00 0.00 O ATOM 689 CB SER A 955 -8.878 -5.684 -3.250 1.00 0.00 C ATOM 690 OG SER A 955 -9.679 -5.795 -4.415 1.00 0.00 O ATOM 0 H SER A 955 -10.640 -7.322 -2.841 1.00 0.00 H new ATOM 0 HA SER A 955 -7.870 -7.584 -3.316 1.00 0.00 H new ATOM 0 HB2 SER A 955 -9.393 -5.076 -2.507 1.00 0.00 H new ATOM 0 HB3 SER A 955 -7.947 -5.172 -3.492 1.00 0.00 H new ATOM 0 HG SER A 955 -9.864 -4.901 -4.771 1.00 0.00 H new ATOM 696 N CYS A 956 -8.765 -6.765 -0.266 1.00 0.00 N ATOM 697 CA CYS A 956 -8.308 -6.617 1.111 1.00 0.00 C ATOM 698 C CYS A 956 -7.431 -7.793 1.527 1.00 0.00 C ATOM 699 O CYS A 956 -6.384 -7.607 2.140 1.00 0.00 O ATOM 700 CB CYS A 956 -9.511 -6.503 2.050 1.00 0.00 C ATOM 701 SG CYS A 956 -9.091 -6.398 3.803 1.00 0.00 S ATOM 0 H CYS A 956 -9.779 -6.741 -0.371 1.00 0.00 H new ATOM 0 HA CYS A 956 -7.711 -5.708 1.177 1.00 0.00 H new ATOM 0 HB2 CYS A 956 -10.087 -5.620 1.775 1.00 0.00 H new ATOM 0 HB3 CYS A 956 -10.158 -7.367 1.896 1.00 0.00 H new ATOM 0 HG CYS A 956 -10.181 -6.303 4.505 1.00 0.00 H new ATOM 707 N LYS A 957 -7.859 -8.998 1.170 1.00 0.00 N ATOM 708 CA LYS A 957 -7.114 -10.206 1.510 1.00 0.00 C ATOM 709 C LYS A 957 -5.734 -10.188 0.867 1.00 0.00 C ATOM 710 O LYS A 957 -4.743 -10.565 1.489 1.00 0.00 O ATOM 711 CB LYS A 957 -7.875 -11.448 1.056 1.00 0.00 C ATOM 712 CG LYS A 957 -9.235 -11.616 1.715 1.00 0.00 C ATOM 713 CD LYS A 957 -9.915 -12.904 1.273 1.00 0.00 C ATOM 714 CE LYS A 957 -10.202 -12.908 -0.221 1.00 0.00 C ATOM 715 NZ LYS A 957 -10.771 -14.203 -0.672 1.00 0.00 N ATOM 0 H LYS A 957 -8.718 -9.166 0.645 1.00 0.00 H new ATOM 0 HA LYS A 957 -6.997 -10.235 2.593 1.00 0.00 H new ATOM 0 HB2 LYS A 957 -8.009 -11.404 -0.025 1.00 0.00 H new ATOM 0 HB3 LYS A 957 -7.269 -12.330 1.266 1.00 0.00 H new ATOM 0 HG2 LYS A 957 -9.117 -11.619 2.799 1.00 0.00 H new ATOM 0 HG3 LYS A 957 -9.869 -10.765 1.466 1.00 0.00 H new ATOM 0 HD2 LYS A 957 -9.281 -13.754 1.523 1.00 0.00 H new ATOM 0 HD3 LYS A 957 -10.848 -13.030 1.823 1.00 0.00 H new ATOM 0 HE2 LYS A 957 -10.898 -12.103 -0.459 1.00 0.00 H new ATOM 0 HE3 LYS A 957 -9.281 -12.706 -0.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 957 -11.534 -14.027 -1.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 957 -10.026 -14.772 -1.122 1.00 0.00 H new ATOM 0 HZ3 LYS A 957 -11.153 -14.718 0.147 1.00 0.00 H new ATOM 729 N ALA A 958 -5.679 -9.741 -0.382 1.00 0.00 N ATOM 730 CA ALA A 958 -4.421 -9.668 -1.112 1.00 0.00 C ATOM 731 C ALA A 958 -3.476 -8.676 -0.446 1.00 0.00 C ATOM 732 O ALA A 958 -2.302 -8.972 -0.220 1.00 0.00 O ATOM 733 CB ALA A 958 -4.673 -9.275 -2.561 1.00 0.00 C ATOM 0 H ALA A 958 -6.492 -9.424 -0.910 1.00 0.00 H new ATOM 0 HA ALA A 958 -3.953 -10.652 -1.097 1.00 0.00 H new ATOM 0 HB1 ALA A 958 -3.724 -9.224 -3.095 1.00 0.00 H new ATOM 0 HB2 ALA A 958 -5.315 -10.018 -3.033 1.00 0.00 H new ATOM 0 HB3 ALA A 958 -5.160 -8.301 -2.594 1.00 0.00 H new ATOM 739 N VAL A 959 -4.006 -7.506 -0.117 1.00 0.00 N ATOM 740 CA VAL A 959 -3.230 -6.466 0.543 1.00 0.00 C ATOM 741 C VAL A 959 -2.773 -6.925 1.925 1.00 0.00 C ATOM 742 O VAL A 959 -1.628 -6.702 2.317 1.00 0.00 O ATOM 743 CB VAL A 959 -4.047 -5.161 0.675 1.00 0.00 C ATOM 744 CG1 VAL A 959 -3.245 -4.084 1.385 1.00 0.00 C ATOM 745 CG2 VAL A 959 -4.500 -4.675 -0.691 1.00 0.00 C ATOM 0 H VAL A 959 -4.977 -7.253 -0.298 1.00 0.00 H new ATOM 0 HA VAL A 959 -2.354 -6.270 -0.075 1.00 0.00 H new ATOM 0 HB VAL A 959 -4.930 -5.376 1.277 1.00 0.00 H new ATOM 0 HG11 VAL A 959 -3.844 -3.177 1.464 1.00 0.00 H new ATOM 0 HG12 VAL A 959 -2.976 -4.429 2.383 1.00 0.00 H new ATOM 0 HG13 VAL A 959 -2.339 -3.872 0.818 1.00 0.00 H new ATOM 0 HG21 VAL A 959 -5.074 -3.755 -0.578 1.00 0.00 H new ATOM 0 HG22 VAL A 959 -3.628 -4.484 -1.317 1.00 0.00 H new ATOM 0 HG23 VAL A 959 -5.124 -5.436 -1.160 1.00 0.00 H new ATOM 755 N ALA A 960 -3.669 -7.593 2.645 1.00 0.00 N ATOM 756 CA ALA A 960 -3.393 -8.056 4.001 1.00 0.00 C ATOM 757 C ALA A 960 -2.186 -8.987 4.057 1.00 0.00 C ATOM 758 O ALA A 960 -1.508 -9.071 5.080 1.00 0.00 O ATOM 759 CB ALA A 960 -4.617 -8.752 4.578 1.00 0.00 C ATOM 0 H ALA A 960 -4.602 -7.828 2.307 1.00 0.00 H new ATOM 0 HA ALA A 960 -3.156 -7.178 4.602 1.00 0.00 H new ATOM 0 HB1 ALA A 960 -4.398 -9.093 5.590 1.00 0.00 H new ATOM 0 HB2 ALA A 960 -5.454 -8.054 4.603 1.00 0.00 H new ATOM 0 HB3 ALA A 960 -4.876 -9.608 3.955 1.00 0.00 H new ATOM 765 N GLU A 961 -1.913 -9.685 2.961 1.00 0.00 N ATOM 766 CA GLU A 961 -0.782 -10.602 2.913 1.00 0.00 C ATOM 767 C GLU A 961 0.496 -9.876 2.497 1.00 0.00 C ATOM 768 O GLU A 961 1.603 -10.330 2.788 1.00 0.00 O ATOM 769 CB GLU A 961 -1.058 -11.755 1.944 1.00 0.00 C ATOM 770 CG GLU A 961 -2.325 -12.536 2.259 1.00 0.00 C ATOM 771 CD GLU A 961 -2.398 -12.982 3.705 1.00 0.00 C ATOM 772 OE1 GLU A 961 -1.552 -13.801 4.119 1.00 0.00 O ATOM 773 OE2 GLU A 961 -3.290 -12.511 4.438 1.00 0.00 O ATOM 0 H GLU A 961 -2.456 -9.634 2.099 1.00 0.00 H new ATOM 0 HA GLU A 961 -0.644 -11.006 3.916 1.00 0.00 H new ATOM 0 HB2 GLU A 961 -1.131 -11.356 0.932 1.00 0.00 H new ATOM 0 HB3 GLU A 961 -0.209 -12.439 1.957 1.00 0.00 H new ATOM 0 HG2 GLU A 961 -3.193 -11.918 2.030 1.00 0.00 H new ATOM 0 HG3 GLU A 961 -2.377 -13.411 1.611 1.00 0.00 H new ATOM 780 N GLN A 962 0.340 -8.741 1.830 1.00 0.00 N ATOM 781 CA GLN A 962 1.481 -7.998 1.315 1.00 0.00 C ATOM 782 C GLN A 962 1.993 -6.977 2.331 1.00 0.00 C ATOM 783 O GLN A 962 3.172 -6.622 2.322 1.00 0.00 O ATOM 784 CB GLN A 962 1.102 -7.303 0.008 1.00 0.00 C ATOM 785 CG GLN A 962 0.760 -8.266 -1.118 1.00 0.00 C ATOM 786 CD GLN A 962 1.933 -9.136 -1.527 1.00 0.00 C ATOM 787 OE1 GLN A 962 3.091 -8.727 -1.442 1.00 0.00 O ATOM 788 NE2 GLN A 962 1.643 -10.346 -1.980 1.00 0.00 N ATOM 0 H GLN A 962 -0.566 -8.315 1.633 1.00 0.00 H new ATOM 0 HA GLN A 962 2.287 -8.707 1.126 1.00 0.00 H new ATOM 0 HB2 GLN A 962 0.248 -6.650 0.188 1.00 0.00 H new ATOM 0 HB3 GLN A 962 1.929 -6.667 -0.308 1.00 0.00 H new ATOM 0 HG2 GLN A 962 -0.067 -8.903 -0.806 1.00 0.00 H new ATOM 0 HG3 GLN A 962 0.416 -7.699 -1.983 1.00 0.00 H new ATOM 0 HE21 GLN A 962 0.671 -10.650 -2.036 1.00 0.00 H new ATOM 0 HE22 GLN A 962 2.392 -10.974 -2.273 1.00 0.00 H new ATOM 797 N ILE A 963 1.103 -6.514 3.209 1.00 0.00 N ATOM 798 CA ILE A 963 1.472 -5.554 4.256 1.00 0.00 C ATOM 799 C ILE A 963 2.653 -6.056 5.107 1.00 0.00 C ATOM 800 O ILE A 963 3.655 -5.352 5.240 1.00 0.00 O ATOM 801 CB ILE A 963 0.274 -5.219 5.180 1.00 0.00 C ATOM 802 CG1 ILE A 963 -0.838 -4.534 4.383 1.00 0.00 C ATOM 803 CG2 ILE A 963 0.719 -4.335 6.340 1.00 0.00 C ATOM 804 CD1 ILE A 963 -2.084 -4.254 5.195 1.00 0.00 C ATOM 0 H ILE A 963 0.120 -6.787 3.218 1.00 0.00 H new ATOM 0 HA ILE A 963 1.778 -4.645 3.738 1.00 0.00 H new ATOM 0 HB ILE A 963 -0.115 -6.151 5.590 1.00 0.00 H new ATOM 0 HG12 ILE A 963 -0.459 -3.595 3.980 1.00 0.00 H new ATOM 0 HG13 ILE A 963 -1.103 -5.162 3.532 1.00 0.00 H new ATOM 0 HG21 ILE A 963 -0.137 -4.112 6.976 1.00 0.00 H new ATOM 0 HG22 ILE A 963 1.479 -4.855 6.923 1.00 0.00 H new ATOM 0 HG23 ILE A 963 1.134 -3.405 5.951 1.00 0.00 H new ATOM 0 HD11 ILE A 963 -2.828 -3.768 4.564 1.00 0.00 H new ATOM 0 HD12 ILE A 963 -2.488 -5.192 5.576 1.00 0.00 H new ATOM 0 HD13 ILE A 963 -1.834 -3.600 6.031 1.00 0.00 H new ATOM 816 N PRO A 964 2.569 -7.274 5.695 1.00 0.00 N ATOM 817 CA PRO A 964 3.668 -7.831 6.491 1.00 0.00 C ATOM 818 C PRO A 964 4.953 -7.982 5.678 1.00 0.00 C ATOM 819 O PRO A 964 6.054 -7.856 6.212 1.00 0.00 O ATOM 820 CB PRO A 964 3.151 -9.205 6.938 1.00 0.00 C ATOM 821 CG PRO A 964 2.015 -9.512 6.025 1.00 0.00 C ATOM 822 CD PRO A 964 1.414 -8.189 5.659 1.00 0.00 C ATOM 0 HA PRO A 964 3.929 -7.178 7.324 1.00 0.00 H new ATOM 0 HB2 PRO A 964 3.931 -9.962 6.864 1.00 0.00 H new ATOM 0 HB3 PRO A 964 2.825 -9.184 7.978 1.00 0.00 H new ATOM 0 HG2 PRO A 964 2.359 -10.043 5.138 1.00 0.00 H new ATOM 0 HG3 PRO A 964 1.282 -10.152 6.515 1.00 0.00 H new ATOM 0 HD2 PRO A 964 0.952 -8.216 4.672 1.00 0.00 H new ATOM 0 HD3 PRO A 964 0.640 -7.889 6.365 1.00 0.00 H new ATOM 830 N LEU A 965 4.806 -8.229 4.380 1.00 0.00 N ATOM 831 CA LEU A 965 5.956 -8.377 3.498 1.00 0.00 C ATOM 832 C LEU A 965 6.680 -7.047 3.334 1.00 0.00 C ATOM 833 O LEU A 965 7.908 -7.006 3.251 1.00 0.00 O ATOM 834 CB LEU A 965 5.528 -8.925 2.135 1.00 0.00 C ATOM 835 CG LEU A 965 5.017 -10.365 2.154 1.00 0.00 C ATOM 836 CD1 LEU A 965 4.657 -10.825 0.752 1.00 0.00 C ATOM 837 CD2 LEU A 965 6.059 -11.285 2.773 1.00 0.00 C ATOM 0 H LEU A 965 3.903 -8.331 3.917 1.00 0.00 H new ATOM 0 HA LEU A 965 6.643 -9.091 3.953 1.00 0.00 H new ATOM 0 HB2 LEU A 965 4.746 -8.282 1.730 1.00 0.00 H new ATOM 0 HB3 LEU A 965 6.376 -8.864 1.452 1.00 0.00 H new ATOM 0 HG LEU A 965 4.115 -10.405 2.764 1.00 0.00 H new ATOM 0 HD11 LEU A 965 4.295 -11.853 0.788 1.00 0.00 H new ATOM 0 HD12 LEU A 965 3.878 -10.180 0.346 1.00 0.00 H new ATOM 0 HD13 LEU A 965 5.539 -10.773 0.114 1.00 0.00 H new ATOM 0 HD21 LEU A 965 5.683 -12.308 2.781 1.00 0.00 H new ATOM 0 HD22 LEU A 965 6.977 -11.241 2.188 1.00 0.00 H new ATOM 0 HD23 LEU A 965 6.264 -10.966 3.795 1.00 0.00 H new ATOM 849 N LEU A 966 5.917 -5.964 3.292 1.00 0.00 N ATOM 850 CA LEU A 966 6.499 -4.631 3.275 1.00 0.00 C ATOM 851 C LEU A 966 7.307 -4.402 4.537 1.00 0.00 C ATOM 852 O LEU A 966 8.515 -4.193 4.487 1.00 0.00 O ATOM 853 CB LEU A 966 5.417 -3.555 3.189 1.00 0.00 C ATOM 854 CG LEU A 966 4.634 -3.493 1.885 1.00 0.00 C ATOM 855 CD1 LEU A 966 3.573 -2.412 1.983 1.00 0.00 C ATOM 856 CD2 LEU A 966 5.568 -3.224 0.714 1.00 0.00 C ATOM 0 H LEU A 966 4.897 -5.982 3.269 1.00 0.00 H new ATOM 0 HA LEU A 966 7.140 -4.563 2.396 1.00 0.00 H new ATOM 0 HB2 LEU A 966 4.712 -3.712 4.005 1.00 0.00 H new ATOM 0 HB3 LEU A 966 5.885 -2.584 3.354 1.00 0.00 H new ATOM 0 HG LEU A 966 4.148 -4.453 1.713 1.00 0.00 H new ATOM 0 HD11 LEU A 966 3.012 -2.367 1.050 1.00 0.00 H new ATOM 0 HD12 LEU A 966 2.894 -2.642 2.804 1.00 0.00 H new ATOM 0 HD13 LEU A 966 4.050 -1.449 2.166 1.00 0.00 H new ATOM 0 HD21 LEU A 966 4.991 -3.183 -0.210 1.00 0.00 H new ATOM 0 HD22 LEU A 966 6.077 -2.272 0.866 1.00 0.00 H new ATOM 0 HD23 LEU A 966 6.306 -4.024 0.646 1.00 0.00 H new ATOM 868 N VAL A 967 6.622 -4.481 5.670 1.00 0.00 N ATOM 869 CA VAL A 967 7.214 -4.166 6.963 1.00 0.00 C ATOM 870 C VAL A 967 8.429 -5.044 7.258 1.00 0.00 C ATOM 871 O VAL A 967 9.447 -4.554 7.749 1.00 0.00 O ATOM 872 CB VAL A 967 6.176 -4.309 8.092 1.00 0.00 C ATOM 873 CG1 VAL A 967 6.769 -3.884 9.427 1.00 0.00 C ATOM 874 CG2 VAL A 967 4.935 -3.491 7.768 1.00 0.00 C ATOM 0 H VAL A 967 5.643 -4.764 5.719 1.00 0.00 H new ATOM 0 HA VAL A 967 7.548 -3.130 6.918 1.00 0.00 H new ATOM 0 HB VAL A 967 5.890 -5.358 8.171 1.00 0.00 H new ATOM 0 HG11 VAL A 967 6.018 -3.993 10.210 1.00 0.00 H new ATOM 0 HG12 VAL A 967 7.629 -4.512 9.659 1.00 0.00 H new ATOM 0 HG13 VAL A 967 7.085 -2.842 9.370 1.00 0.00 H new ATOM 0 HG21 VAL A 967 4.208 -3.599 8.573 1.00 0.00 H new ATOM 0 HG22 VAL A 967 5.208 -2.441 7.665 1.00 0.00 H new ATOM 0 HG23 VAL A 967 4.499 -3.846 6.834 1.00 0.00 H new ATOM 884 N GLN A 968 8.329 -6.334 6.941 1.00 0.00 N ATOM 885 CA GLN A 968 9.451 -7.246 7.127 1.00 0.00 C ATOM 886 C GLN A 968 10.642 -6.780 6.298 1.00 0.00 C ATOM 887 O GLN A 968 11.769 -6.722 6.791 1.00 0.00 O ATOM 888 CB GLN A 968 9.068 -8.676 6.732 1.00 0.00 C ATOM 889 CG GLN A 968 10.149 -9.700 7.046 1.00 0.00 C ATOM 890 CD GLN A 968 9.824 -11.088 6.529 1.00 0.00 C ATOM 891 OE1 GLN A 968 9.147 -11.161 5.396 1.00 0.00 O flip ATOM 892 NE2 GLN A 968 10.209 -12.090 7.128 1.00 0.00 N flip ATOM 0 H GLN A 968 7.489 -6.766 6.557 1.00 0.00 H new ATOM 0 HA GLN A 968 9.722 -7.244 8.183 1.00 0.00 H new ATOM 0 HB2 GLN A 968 8.151 -8.955 7.252 1.00 0.00 H new ATOM 0 HB3 GLN A 968 8.850 -8.704 5.664 1.00 0.00 H new ATOM 0 HG2 GLN A 968 11.092 -9.369 6.611 1.00 0.00 H new ATOM 0 HG3 GLN A 968 10.295 -9.746 8.125 1.00 0.00 H new ATOM 0 HE21 GLN A 968 10.729 -11.994 8.000 1.00 0.00 H new ATOM 0 HE22 GLN A 968 10.008 -13.017 6.753 1.00 0.00 H new ATOM 901 N GLY A 969 10.377 -6.431 5.043 1.00 0.00 N ATOM 902 CA GLY A 969 11.421 -5.926 4.173 1.00 0.00 C ATOM 903 C GLY A 969 12.006 -4.622 4.683 1.00 0.00 C ATOM 904 O GLY A 969 13.222 -4.434 4.671 1.00 0.00 O ATOM 0 H GLY A 969 9.454 -6.490 4.613 1.00 0.00 H new ATOM 0 HA2 GLY A 969 12.213 -6.670 4.088 1.00 0.00 H new ATOM 0 HA3 GLY A 969 11.017 -5.775 3.172 1.00 0.00 H new ATOM 908 N VAL A 970 11.132 -3.726 5.138 1.00 0.00 N ATOM 909 CA VAL A 970 11.557 -2.449 5.701 1.00 0.00 C ATOM 910 C VAL A 970 12.513 -2.669 6.870 1.00 0.00 C ATOM 911 O VAL A 970 13.605 -2.108 6.905 1.00 0.00 O ATOM 912 CB VAL A 970 10.364 -1.604 6.200 1.00 0.00 C ATOM 913 CG1 VAL A 970 10.857 -0.275 6.746 1.00 0.00 C ATOM 914 CG2 VAL A 970 9.342 -1.376 5.097 1.00 0.00 C ATOM 0 H VAL A 970 10.121 -3.863 5.127 1.00 0.00 H new ATOM 0 HA VAL A 970 12.057 -1.909 4.897 1.00 0.00 H new ATOM 0 HB VAL A 970 9.871 -2.158 6.999 1.00 0.00 H new ATOM 0 HG11 VAL A 970 10.008 0.313 7.095 1.00 0.00 H new ATOM 0 HG12 VAL A 970 11.540 -0.454 7.576 1.00 0.00 H new ATOM 0 HG13 VAL A 970 11.377 0.271 5.959 1.00 0.00 H new ATOM 0 HG21 VAL A 970 8.517 -0.778 5.484 1.00 0.00 H new ATOM 0 HG22 VAL A 970 9.814 -0.850 4.267 1.00 0.00 H new ATOM 0 HG23 VAL A 970 8.962 -2.336 4.749 1.00 0.00 H new ATOM 924 N ARG A 971 12.093 -3.500 7.817 1.00 0.00 N ATOM 925 CA ARG A 971 12.903 -3.801 8.992 1.00 0.00 C ATOM 926 C ARG A 971 14.224 -4.440 8.585 1.00 0.00 C ATOM 927 O ARG A 971 15.253 -4.210 9.219 1.00 0.00 O ATOM 928 CB ARG A 971 12.143 -4.720 9.947 1.00 0.00 C ATOM 929 CG ARG A 971 10.897 -4.079 10.535 1.00 0.00 C ATOM 930 CD ARG A 971 10.137 -5.047 11.422 1.00 0.00 C ATOM 931 NE ARG A 971 10.907 -5.449 12.599 1.00 0.00 N ATOM 932 CZ ARG A 971 10.451 -6.281 13.535 1.00 0.00 C ATOM 933 NH1 ARG A 971 9.264 -6.859 13.393 1.00 0.00 N ATOM 934 NH2 ARG A 971 11.188 -6.550 14.605 1.00 0.00 N ATOM 0 H ARG A 971 11.193 -3.979 7.794 1.00 0.00 H new ATOM 0 HA ARG A 971 13.116 -2.864 9.507 1.00 0.00 H new ATOM 0 HB2 ARG A 971 11.860 -5.629 9.417 1.00 0.00 H new ATOM 0 HB3 ARG A 971 12.807 -5.018 10.758 1.00 0.00 H new ATOM 0 HG2 ARG A 971 11.178 -3.199 11.113 1.00 0.00 H new ATOM 0 HG3 ARG A 971 10.248 -3.737 9.729 1.00 0.00 H new ATOM 0 HD2 ARG A 971 9.203 -4.585 11.743 1.00 0.00 H new ATOM 0 HD3 ARG A 971 9.872 -5.933 10.845 1.00 0.00 H new ATOM 0 HE ARG A 971 11.848 -5.071 12.710 1.00 0.00 H new ATOM 0 HH11 ARG A 971 8.699 -6.667 12.566 1.00 0.00 H new ATOM 0 HH12 ARG A 971 8.917 -7.495 14.111 1.00 0.00 H new ATOM 0 HH21 ARG A 971 12.106 -6.120 14.713 1.00 0.00 H new ATOM 0 HH22 ARG A 971 10.836 -7.187 15.320 1.00 0.00 H new ATOM 948 N GLY A 972 14.189 -5.227 7.517 1.00 0.00 N ATOM 949 CA GLY A 972 15.398 -5.830 6.999 1.00 0.00 C ATOM 950 C GLY A 972 16.396 -4.788 6.537 1.00 0.00 C ATOM 951 O GLY A 972 17.588 -4.903 6.805 1.00 0.00 O ATOM 0 H GLY A 972 13.341 -5.458 7.000 1.00 0.00 H new ATOM 0 HA2 GLY A 972 15.853 -6.452 7.770 1.00 0.00 H new ATOM 0 HA3 GLY A 972 15.148 -6.487 6.166 1.00 0.00 H new ATOM 955 N SER A 973 15.901 -3.759 5.859 1.00 0.00 N ATOM 956 CA SER A 973 16.746 -2.676 5.377 1.00 0.00 C ATOM 957 C SER A 973 17.175 -1.766 6.530 1.00 0.00 C ATOM 958 O SER A 973 18.321 -1.313 6.584 1.00 0.00 O ATOM 959 CB SER A 973 16.005 -1.873 4.303 1.00 0.00 C ATOM 960 OG SER A 973 16.820 -0.843 3.767 1.00 0.00 O ATOM 0 H SER A 973 14.913 -3.653 5.630 1.00 0.00 H new ATOM 0 HA SER A 973 17.646 -3.106 4.937 1.00 0.00 H new ATOM 0 HB2 SER A 973 15.688 -2.541 3.502 1.00 0.00 H new ATOM 0 HB3 SER A 973 15.102 -1.438 4.731 1.00 0.00 H new ATOM 0 HG SER A 973 16.791 -0.062 4.358 1.00 0.00 H new ATOM 966 N GLN A 974 16.254 -1.513 7.458 1.00 0.00 N ATOM 967 CA GLN A 974 16.535 -0.658 8.611 1.00 0.00 C ATOM 968 C GLN A 974 17.607 -1.271 9.507 1.00 0.00 C ATOM 969 O GLN A 974 18.306 -0.562 10.231 1.00 0.00 O ATOM 970 CB GLN A 974 15.260 -0.407 9.423 1.00 0.00 C ATOM 971 CG GLN A 974 14.235 0.460 8.707 1.00 0.00 C ATOM 972 CD GLN A 974 12.970 0.674 9.521 1.00 0.00 C ATOM 973 OE1 GLN A 974 12.313 1.714 9.418 1.00 0.00 O ATOM 974 NE2 GLN A 974 12.616 -0.306 10.339 1.00 0.00 N ATOM 0 H GLN A 974 15.306 -1.888 7.434 1.00 0.00 H new ATOM 0 HA GLN A 974 16.907 0.293 8.231 1.00 0.00 H new ATOM 0 HB2 GLN A 974 14.803 -1.365 9.669 1.00 0.00 H new ATOM 0 HB3 GLN A 974 15.529 0.069 10.366 1.00 0.00 H new ATOM 0 HG2 GLN A 974 14.682 1.428 8.478 1.00 0.00 H new ATOM 0 HG3 GLN A 974 13.975 -0.004 7.756 1.00 0.00 H new ATOM 0 HE21 GLN A 974 13.184 -1.151 10.398 1.00 0.00 H new ATOM 0 HE22 GLN A 974 11.776 -0.215 10.910 1.00 0.00 H new ATOM 983 N ALA A 975 17.725 -2.591 9.466 1.00 0.00 N ATOM 984 CA ALA A 975 18.736 -3.289 10.244 1.00 0.00 C ATOM 985 C ALA A 975 19.986 -3.545 9.408 1.00 0.00 C ATOM 986 O ALA A 975 21.107 -3.289 9.854 1.00 0.00 O ATOM 987 CB ALA A 975 18.179 -4.599 10.777 1.00 0.00 C ATOM 0 H ALA A 975 17.132 -3.199 8.901 1.00 0.00 H new ATOM 0 HA ALA A 975 19.015 -2.656 11.087 1.00 0.00 H new ATOM 0 HB1 ALA A 975 18.946 -5.111 11.357 1.00 0.00 H new ATOM 0 HB2 ALA A 975 17.318 -4.396 11.413 1.00 0.00 H new ATOM 0 HB3 ALA A 975 17.873 -5.230 9.943 1.00 0.00 H new ATOM 993 N GLN A 976 19.785 -4.040 8.194 1.00 0.00 N ATOM 994 CA GLN A 976 20.890 -4.367 7.303 1.00 0.00 C ATOM 995 C GLN A 976 20.952 -3.356 6.158 1.00 0.00 C ATOM 996 O GLN A 976 20.230 -3.477 5.170 1.00 0.00 O ATOM 997 CB GLN A 976 20.715 -5.784 6.750 1.00 0.00 C ATOM 998 CG GLN A 976 20.346 -6.807 7.811 1.00 0.00 C ATOM 999 CD GLN A 976 19.907 -8.129 7.219 1.00 0.00 C ATOM 1000 OE1 GLN A 976 20.717 -9.028 6.995 1.00 0.00 O ATOM 1001 NE2 GLN A 976 18.616 -8.256 6.956 1.00 0.00 N ATOM 0 H GLN A 976 18.862 -4.225 7.802 1.00 0.00 H new ATOM 0 HA GLN A 976 21.824 -4.322 7.863 1.00 0.00 H new ATOM 0 HB2 GLN A 976 19.941 -5.773 5.982 1.00 0.00 H new ATOM 0 HB3 GLN A 976 21.641 -6.093 6.265 1.00 0.00 H new ATOM 0 HG2 GLN A 976 21.203 -6.973 8.464 1.00 0.00 H new ATOM 0 HG3 GLN A 976 19.544 -6.407 8.432 1.00 0.00 H new ATOM 0 HE21 GLN A 976 17.977 -7.487 7.156 1.00 0.00 H new ATOM 0 HE22 GLN A 976 18.261 -9.123 6.553 1.00 0.00 H new ATOM 1010 N PRO A 977 21.810 -2.335 6.283 1.00 0.00 N ATOM 1011 CA PRO A 977 21.859 -1.226 5.339 1.00 0.00 C ATOM 1012 C PRO A 977 22.832 -1.432 4.174 1.00 0.00 C ATOM 1013 O PRO A 977 23.148 -0.480 3.458 1.00 0.00 O ATOM 1014 CB PRO A 977 22.336 -0.080 6.227 1.00 0.00 C ATOM 1015 CG PRO A 977 23.237 -0.724 7.231 1.00 0.00 C ATOM 1016 CD PRO A 977 22.788 -2.162 7.373 1.00 0.00 C ATOM 0 HA PRO A 977 20.899 -1.074 4.846 1.00 0.00 H new ATOM 0 HB2 PRO A 977 22.866 0.675 5.647 1.00 0.00 H new ATOM 0 HB3 PRO A 977 21.498 0.420 6.711 1.00 0.00 H new ATOM 0 HG2 PRO A 977 24.276 -0.675 6.904 1.00 0.00 H new ATOM 0 HG3 PRO A 977 23.180 -0.206 8.188 1.00 0.00 H new ATOM 0 HD2 PRO A 977 23.624 -2.854 7.273 1.00 0.00 H new ATOM 0 HD3 PRO A 977 22.337 -2.346 8.348 1.00 0.00 H new ATOM 1024 N ASP A 978 23.308 -2.655 3.971 1.00 0.00 N ATOM 1025 CA ASP A 978 24.250 -2.906 2.879 1.00 0.00 C ATOM 1026 C ASP A 978 24.026 -4.261 2.214 1.00 0.00 C ATOM 1027 O ASP A 978 24.248 -4.398 1.009 1.00 0.00 O ATOM 1028 CB ASP A 978 25.706 -2.795 3.360 1.00 0.00 C ATOM 1029 CG ASP A 978 26.127 -3.926 4.277 1.00 0.00 C ATOM 1030 OD1 ASP A 978 25.926 -3.810 5.503 1.00 0.00 O ATOM 1031 OD2 ASP A 978 26.674 -4.934 3.780 1.00 0.00 O ATOM 0 H ASP A 978 23.067 -3.473 4.531 1.00 0.00 H new ATOM 0 HA ASP A 978 24.062 -2.134 2.133 1.00 0.00 H new ATOM 0 HB2 ASP A 978 26.366 -2.776 2.493 1.00 0.00 H new ATOM 0 HB3 ASP A 978 25.837 -1.847 3.882 1.00 0.00 H new ATOM 1036 N SER A 979 23.595 -5.255 2.982 1.00 0.00 N ATOM 1037 CA SER A 979 23.385 -6.594 2.446 1.00 0.00 C ATOM 1038 C SER A 979 22.236 -6.612 1.436 1.00 0.00 C ATOM 1039 O SER A 979 21.089 -6.339 1.784 1.00 0.00 O ATOM 1040 CB SER A 979 23.122 -7.580 3.586 1.00 0.00 C ATOM 1041 OG SER A 979 22.184 -7.060 4.506 1.00 0.00 O ATOM 0 H SER A 979 23.385 -5.159 3.975 1.00 0.00 H new ATOM 0 HA SER A 979 24.290 -6.899 1.920 1.00 0.00 H new ATOM 0 HB2 SER A 979 22.752 -8.521 3.178 1.00 0.00 H new ATOM 0 HB3 SER A 979 24.057 -7.801 4.102 1.00 0.00 H new ATOM 0 HG SER A 979 21.457 -6.619 4.018 1.00 0.00 H new ATOM 1047 N PRO A 980 22.541 -6.939 0.167 1.00 0.00 N ATOM 1048 CA PRO A 980 21.562 -6.910 -0.929 1.00 0.00 C ATOM 1049 C PRO A 980 20.311 -7.729 -0.632 1.00 0.00 C ATOM 1050 O PRO A 980 19.210 -7.361 -1.040 1.00 0.00 O ATOM 1051 CB PRO A 980 22.326 -7.517 -2.107 1.00 0.00 C ATOM 1052 CG PRO A 980 23.758 -7.264 -1.795 1.00 0.00 C ATOM 1053 CD PRO A 980 23.873 -7.360 -0.302 1.00 0.00 C ATOM 0 HA PRO A 980 21.196 -5.899 -1.110 1.00 0.00 H new ATOM 0 HB2 PRO A 980 22.124 -8.584 -2.203 1.00 0.00 H new ATOM 0 HB3 PRO A 980 22.037 -7.051 -3.049 1.00 0.00 H new ATOM 0 HG2 PRO A 980 24.400 -7.996 -2.285 1.00 0.00 H new ATOM 0 HG3 PRO A 980 24.068 -6.281 -2.149 1.00 0.00 H new ATOM 0 HD2 PRO A 980 24.111 -8.374 0.019 1.00 0.00 H new ATOM 0 HD3 PRO A 980 24.659 -6.711 0.084 1.00 0.00 H new ATOM 1061 N SER A 981 20.481 -8.824 0.096 1.00 0.00 N ATOM 1062 CA SER A 981 19.371 -9.701 0.435 1.00 0.00 C ATOM 1063 C SER A 981 18.307 -8.976 1.262 1.00 0.00 C ATOM 1064 O SER A 981 17.136 -9.356 1.248 1.00 0.00 O ATOM 1065 CB SER A 981 19.895 -10.928 1.177 1.00 0.00 C ATOM 1066 OG SER A 981 20.959 -10.582 2.050 1.00 0.00 O ATOM 0 H SER A 981 21.383 -9.127 0.465 1.00 0.00 H new ATOM 0 HA SER A 981 18.892 -10.019 -0.491 1.00 0.00 H new ATOM 0 HB2 SER A 981 19.086 -11.384 1.748 1.00 0.00 H new ATOM 0 HB3 SER A 981 20.238 -11.672 0.458 1.00 0.00 H new ATOM 0 HG SER A 981 21.814 -10.702 1.587 1.00 0.00 H new ATOM 1072 N ALA A 982 18.709 -7.922 1.963 1.00 0.00 N ATOM 1073 CA ALA A 982 17.778 -7.143 2.764 1.00 0.00 C ATOM 1074 C ALA A 982 16.997 -6.172 1.888 1.00 0.00 C ATOM 1075 O ALA A 982 15.766 -6.156 1.903 1.00 0.00 O ATOM 1076 CB ALA A 982 18.520 -6.394 3.859 1.00 0.00 C ATOM 0 H ALA A 982 19.673 -7.589 1.992 1.00 0.00 H new ATOM 0 HA ALA A 982 17.070 -7.827 3.231 1.00 0.00 H new ATOM 0 HB1 ALA A 982 17.810 -5.816 4.450 1.00 0.00 H new ATOM 0 HB2 ALA A 982 19.033 -7.107 4.504 1.00 0.00 H new ATOM 0 HB3 ALA A 982 19.250 -5.721 3.409 1.00 0.00 H new ATOM 1082 N GLN A 983 17.719 -5.378 1.108 1.00 0.00 N ATOM 1083 CA GLN A 983 17.094 -4.384 0.244 1.00 0.00 C ATOM 1084 C GLN A 983 16.255 -5.037 -0.844 1.00 0.00 C ATOM 1085 O GLN A 983 15.128 -4.619 -1.091 1.00 0.00 O ATOM 1086 CB GLN A 983 18.137 -3.455 -0.384 1.00 0.00 C ATOM 1087 CG GLN A 983 18.570 -2.331 0.542 1.00 0.00 C ATOM 1088 CD GLN A 983 19.362 -2.826 1.736 1.00 0.00 C ATOM 1089 OE1 GLN A 983 20.133 -3.775 1.627 1.00 0.00 O ATOM 1090 NE2 GLN A 983 19.152 -2.213 2.889 1.00 0.00 N ATOM 0 H GLN A 983 18.737 -5.403 1.056 1.00 0.00 H new ATOM 0 HA GLN A 983 16.434 -3.787 0.874 1.00 0.00 H new ATOM 0 HB2 GLN A 983 19.011 -4.040 -0.668 1.00 0.00 H new ATOM 0 HB3 GLN A 983 17.729 -3.026 -1.299 1.00 0.00 H new ATOM 0 HG2 GLN A 983 19.174 -1.617 -0.018 1.00 0.00 H new ATOM 0 HG3 GLN A 983 17.688 -1.796 0.893 1.00 0.00 H new ATOM 0 HE21 GLN A 983 18.503 -1.428 2.938 1.00 0.00 H new ATOM 0 HE22 GLN A 983 19.639 -2.526 3.729 1.00 0.00 H new ATOM 1099 N LEU A 984 16.789 -6.073 -1.477 1.00 0.00 N ATOM 1100 CA LEU A 984 16.075 -6.752 -2.553 1.00 0.00 C ATOM 1101 C LEU A 984 14.797 -7.408 -2.041 1.00 0.00 C ATOM 1102 O LEU A 984 13.858 -7.626 -2.805 1.00 0.00 O ATOM 1103 CB LEU A 984 16.965 -7.785 -3.252 1.00 0.00 C ATOM 1104 CG LEU A 984 17.796 -7.246 -4.424 1.00 0.00 C ATOM 1105 CD1 LEU A 984 16.890 -6.603 -5.464 1.00 0.00 C ATOM 1106 CD2 LEU A 984 18.846 -6.252 -3.949 1.00 0.00 C ATOM 0 H LEU A 984 17.709 -6.461 -1.267 1.00 0.00 H new ATOM 0 HA LEU A 984 15.799 -5.993 -3.286 1.00 0.00 H new ATOM 0 HB2 LEU A 984 17.643 -8.215 -2.515 1.00 0.00 H new ATOM 0 HB3 LEU A 984 16.335 -8.596 -3.617 1.00 0.00 H new ATOM 0 HG LEU A 984 18.316 -8.088 -4.880 1.00 0.00 H new ATOM 0 HD11 LEU A 984 17.494 -6.225 -6.289 1.00 0.00 H new ATOM 0 HD12 LEU A 984 16.185 -7.344 -5.840 1.00 0.00 H new ATOM 0 HD13 LEU A 984 16.342 -5.778 -5.009 1.00 0.00 H new ATOM 0 HD21 LEU A 984 19.417 -5.890 -4.804 1.00 0.00 H new ATOM 0 HD22 LEU A 984 18.356 -5.412 -3.458 1.00 0.00 H new ATOM 0 HD23 LEU A 984 19.519 -6.742 -3.245 1.00 0.00 H new ATOM 1118 N ALA A 985 14.760 -7.715 -0.752 1.00 0.00 N ATOM 1119 CA ALA A 985 13.545 -8.229 -0.135 1.00 0.00 C ATOM 1120 C ALA A 985 12.489 -7.132 -0.075 1.00 0.00 C ATOM 1121 O ALA A 985 11.332 -7.344 -0.436 1.00 0.00 O ATOM 1122 CB ALA A 985 13.837 -8.769 1.258 1.00 0.00 C ATOM 0 H ALA A 985 15.552 -7.618 -0.116 1.00 0.00 H new ATOM 0 HA ALA A 985 13.164 -9.050 -0.742 1.00 0.00 H new ATOM 0 HB1 ALA A 985 12.916 -9.148 1.702 1.00 0.00 H new ATOM 0 HB2 ALA A 985 14.566 -9.576 1.190 1.00 0.00 H new ATOM 0 HB3 ALA A 985 14.238 -7.970 1.881 1.00 0.00 H new ATOM 1128 N LEU A 986 12.915 -5.948 0.357 1.00 0.00 N ATOM 1129 CA LEU A 986 12.037 -4.787 0.440 1.00 0.00 C ATOM 1130 C LEU A 986 11.560 -4.398 -0.960 1.00 0.00 C ATOM 1131 O LEU A 986 10.361 -4.245 -1.200 1.00 0.00 O ATOM 1132 CB LEU A 986 12.792 -3.617 1.096 1.00 0.00 C ATOM 1133 CG LEU A 986 11.932 -2.524 1.753 1.00 0.00 C ATOM 1134 CD1 LEU A 986 12.815 -1.555 2.519 1.00 0.00 C ATOM 1135 CD2 LEU A 986 11.108 -1.762 0.728 1.00 0.00 C ATOM 0 H LEU A 986 13.873 -5.768 0.657 1.00 0.00 H new ATOM 0 HA LEU A 986 11.166 -5.030 1.049 1.00 0.00 H new ATOM 0 HB2 LEU A 986 13.461 -4.025 1.854 1.00 0.00 H new ATOM 0 HB3 LEU A 986 13.418 -3.148 0.337 1.00 0.00 H new ATOM 0 HG LEU A 986 11.244 -3.017 2.439 1.00 0.00 H new ATOM 0 HD11 LEU A 986 12.196 -0.785 2.980 1.00 0.00 H new ATOM 0 HD12 LEU A 986 13.361 -2.094 3.293 1.00 0.00 H new ATOM 0 HD13 LEU A 986 13.523 -1.089 1.834 1.00 0.00 H new ATOM 0 HD21 LEU A 986 10.515 -0.999 1.232 1.00 0.00 H new ATOM 0 HD22 LEU A 986 11.773 -1.287 0.007 1.00 0.00 H new ATOM 0 HD23 LEU A 986 10.444 -2.453 0.208 1.00 0.00 H new ATOM 1147 N ILE A 987 12.510 -4.264 -1.879 1.00 0.00 N ATOM 1148 CA ILE A 987 12.221 -3.849 -3.251 1.00 0.00 C ATOM 1149 C ILE A 987 11.228 -4.800 -3.920 1.00 0.00 C ATOM 1150 O ILE A 987 10.274 -4.363 -4.570 1.00 0.00 O ATOM 1151 CB ILE A 987 13.519 -3.776 -4.090 1.00 0.00 C ATOM 1152 CG1 ILE A 987 14.511 -2.818 -3.421 1.00 0.00 C ATOM 1153 CG2 ILE A 987 13.211 -3.324 -5.513 1.00 0.00 C ATOM 1154 CD1 ILE A 987 15.906 -2.851 -4.010 1.00 0.00 C ATOM 0 H ILE A 987 13.498 -4.439 -1.697 1.00 0.00 H new ATOM 0 HA ILE A 987 11.773 -2.856 -3.203 1.00 0.00 H new ATOM 0 HB ILE A 987 13.966 -4.769 -4.141 1.00 0.00 H new ATOM 0 HG12 ILE A 987 14.123 -1.802 -3.495 1.00 0.00 H new ATOM 0 HG13 ILE A 987 14.572 -3.060 -2.360 1.00 0.00 H new ATOM 0 HG21 ILE A 987 14.136 -3.278 -6.088 1.00 0.00 H new ATOM 0 HG22 ILE A 987 12.527 -4.033 -5.980 1.00 0.00 H new ATOM 0 HG23 ILE A 987 12.749 -2.337 -5.489 1.00 0.00 H new ATOM 0 HD11 ILE A 987 16.542 -2.144 -3.478 1.00 0.00 H new ATOM 0 HD12 ILE A 987 16.319 -3.855 -3.912 1.00 0.00 H new ATOM 0 HD13 ILE A 987 15.862 -2.578 -5.064 1.00 0.00 H new ATOM 1166 N ALA A 988 11.440 -6.100 -3.742 1.00 0.00 N ATOM 1167 CA ALA A 988 10.550 -7.102 -4.320 1.00 0.00 C ATOM 1168 C ALA A 988 9.166 -7.024 -3.688 1.00 0.00 C ATOM 1169 O ALA A 988 8.153 -7.073 -4.389 1.00 0.00 O ATOM 1170 CB ALA A 988 11.130 -8.496 -4.151 1.00 0.00 C ATOM 0 H ALA A 988 12.217 -6.484 -3.204 1.00 0.00 H new ATOM 0 HA ALA A 988 10.454 -6.894 -5.386 1.00 0.00 H new ATOM 0 HB1 ALA A 988 10.451 -9.228 -4.589 1.00 0.00 H new ATOM 0 HB2 ALA A 988 12.096 -8.551 -4.653 1.00 0.00 H new ATOM 0 HB3 ALA A 988 11.260 -8.710 -3.090 1.00 0.00 H new ATOM 1176 N ALA A 989 9.129 -6.892 -2.366 1.00 0.00 N ATOM 1177 CA ALA A 989 7.870 -6.802 -1.637 1.00 0.00 C ATOM 1178 C ALA A 989 7.093 -5.553 -2.037 1.00 0.00 C ATOM 1179 O ALA A 989 5.868 -5.574 -2.110 1.00 0.00 O ATOM 1180 CB ALA A 989 8.121 -6.810 -0.137 1.00 0.00 C ATOM 0 H ALA A 989 9.960 -6.845 -1.776 1.00 0.00 H new ATOM 0 HA ALA A 989 7.269 -7.673 -1.896 1.00 0.00 H new ATOM 0 HB1 ALA A 989 7.170 -6.742 0.391 1.00 0.00 H new ATOM 0 HB2 ALA A 989 8.626 -7.735 0.142 1.00 0.00 H new ATOM 0 HB3 ALA A 989 8.747 -5.959 0.132 1.00 0.00 H new ATOM 1186 N SER A 990 7.816 -4.471 -2.306 1.00 0.00 N ATOM 1187 CA SER A 990 7.200 -3.214 -2.715 1.00 0.00 C ATOM 1188 C SER A 990 6.381 -3.399 -3.990 1.00 0.00 C ATOM 1189 O SER A 990 5.203 -3.047 -4.038 1.00 0.00 O ATOM 1190 CB SER A 990 8.273 -2.145 -2.929 1.00 0.00 C ATOM 1191 OG SER A 990 9.033 -1.942 -1.750 1.00 0.00 O ATOM 0 H SER A 990 8.834 -4.440 -2.248 1.00 0.00 H new ATOM 0 HA SER A 990 6.528 -2.889 -1.921 1.00 0.00 H new ATOM 0 HB2 SER A 990 8.932 -2.445 -3.743 1.00 0.00 H new ATOM 0 HB3 SER A 990 7.803 -1.208 -3.228 1.00 0.00 H new ATOM 0 HG SER A 990 9.534 -2.758 -1.539 1.00 0.00 H new ATOM 1197 N GLN A 991 7.003 -3.976 -5.013 1.00 0.00 N ATOM 1198 CA GLN A 991 6.330 -4.200 -6.289 1.00 0.00 C ATOM 1199 C GLN A 991 5.206 -5.220 -6.122 1.00 0.00 C ATOM 1200 O GLN A 991 4.125 -5.089 -6.712 1.00 0.00 O ATOM 1201 CB GLN A 991 7.334 -4.682 -7.339 1.00 0.00 C ATOM 1202 CG GLN A 991 8.520 -3.744 -7.514 1.00 0.00 C ATOM 1203 CD GLN A 991 9.509 -4.232 -8.555 1.00 0.00 C ATOM 1204 OE1 GLN A 991 9.138 -4.892 -9.526 1.00 0.00 O ATOM 1205 NE2 GLN A 991 10.780 -3.914 -8.357 1.00 0.00 N ATOM 0 H GLN A 991 7.971 -4.297 -4.984 1.00 0.00 H new ATOM 0 HA GLN A 991 5.898 -3.258 -6.627 1.00 0.00 H new ATOM 0 HB2 GLN A 991 7.699 -5.669 -7.056 1.00 0.00 H new ATOM 0 HB3 GLN A 991 6.823 -4.793 -8.296 1.00 0.00 H new ATOM 0 HG2 GLN A 991 8.157 -2.757 -7.800 1.00 0.00 H new ATOM 0 HG3 GLN A 991 9.032 -3.631 -6.558 1.00 0.00 H new ATOM 0 HE21 GLN A 991 11.047 -3.365 -7.540 1.00 0.00 H new ATOM 0 HE22 GLN A 991 11.491 -4.218 -9.022 1.00 0.00 H new ATOM 1214 N SER A 992 5.464 -6.216 -5.284 1.00 0.00 N ATOM 1215 CA SER A 992 4.498 -7.266 -4.994 1.00 0.00 C ATOM 1216 C SER A 992 3.275 -6.696 -4.275 1.00 0.00 C ATOM 1217 O SER A 992 2.185 -7.260 -4.349 1.00 0.00 O ATOM 1218 CB SER A 992 5.161 -8.356 -4.143 1.00 0.00 C ATOM 1219 OG SER A 992 4.262 -9.414 -3.856 1.00 0.00 O ATOM 0 H SER A 992 6.349 -6.318 -4.787 1.00 0.00 H new ATOM 0 HA SER A 992 4.161 -7.702 -5.934 1.00 0.00 H new ATOM 0 HB2 SER A 992 6.031 -8.750 -4.669 1.00 0.00 H new ATOM 0 HB3 SER A 992 5.522 -7.921 -3.211 1.00 0.00 H new ATOM 0 HG SER A 992 3.892 -9.294 -2.957 1.00 0.00 H new ATOM 1225 N PHE A 993 3.468 -5.580 -3.582 1.00 0.00 N ATOM 1226 CA PHE A 993 2.384 -4.915 -2.871 1.00 0.00 C ATOM 1227 C PHE A 993 1.652 -3.937 -3.785 1.00 0.00 C ATOM 1228 O PHE A 993 0.453 -3.705 -3.624 1.00 0.00 O ATOM 1229 CB PHE A 993 2.942 -4.180 -1.648 1.00 0.00 C ATOM 1230 CG PHE A 993 1.925 -3.354 -0.912 1.00 0.00 C ATOM 1231 CD1 PHE A 993 1.018 -3.954 -0.055 1.00 0.00 C ATOM 1232 CD2 PHE A 993 1.875 -1.980 -1.079 1.00 0.00 C ATOM 1233 CE1 PHE A 993 0.083 -3.200 0.625 1.00 0.00 C ATOM 1234 CE2 PHE A 993 0.942 -1.222 -0.402 1.00 0.00 C ATOM 1235 CZ PHE A 993 0.046 -1.824 0.441 1.00 0.00 C ATOM 0 H PHE A 993 4.372 -5.114 -3.498 1.00 0.00 H new ATOM 0 HA PHE A 993 1.670 -5.670 -2.543 1.00 0.00 H new ATOM 0 HB2 PHE A 993 3.367 -4.911 -0.960 1.00 0.00 H new ATOM 0 HB3 PHE A 993 3.758 -3.532 -1.968 1.00 0.00 H new ATOM 0 HD1 PHE A 993 1.042 -5.025 0.083 1.00 0.00 H new ATOM 0 HD2 PHE A 993 2.574 -1.497 -1.746 1.00 0.00 H new ATOM 0 HE1 PHE A 993 -0.616 -3.677 1.296 1.00 0.00 H new ATOM 0 HE2 PHE A 993 0.918 -0.151 -0.537 1.00 0.00 H new ATOM 0 HZ PHE A 993 -0.689 -1.229 0.962 1.00 0.00 H new ATOM 1245 N LEU A 994 2.381 -3.378 -4.748 1.00 0.00 N ATOM 1246 CA LEU A 994 1.829 -2.387 -5.670 1.00 0.00 C ATOM 1247 C LEU A 994 0.560 -2.894 -6.346 1.00 0.00 C ATOM 1248 O LEU A 994 -0.452 -2.193 -6.378 1.00 0.00 O ATOM 1249 CB LEU A 994 2.856 -2.014 -6.740 1.00 0.00 C ATOM 1250 CG LEU A 994 4.080 -1.243 -6.245 1.00 0.00 C ATOM 1251 CD1 LEU A 994 5.093 -1.096 -7.366 1.00 0.00 C ATOM 1252 CD2 LEU A 994 3.674 0.120 -5.712 1.00 0.00 C ATOM 0 H LEU A 994 3.364 -3.597 -4.911 1.00 0.00 H new ATOM 0 HA LEU A 994 1.579 -1.505 -5.080 1.00 0.00 H new ATOM 0 HB2 LEU A 994 3.197 -2.929 -7.224 1.00 0.00 H new ATOM 0 HB3 LEU A 994 2.357 -1.416 -7.503 1.00 0.00 H new ATOM 0 HG LEU A 994 4.539 -1.804 -5.431 1.00 0.00 H new ATOM 0 HD11 LEU A 994 5.961 -0.545 -7.002 1.00 0.00 H new ATOM 0 HD12 LEU A 994 5.406 -2.083 -7.705 1.00 0.00 H new ATOM 0 HD13 LEU A 994 4.641 -0.553 -8.196 1.00 0.00 H new ATOM 0 HD21 LEU A 994 4.559 0.653 -5.365 1.00 0.00 H new ATOM 0 HD22 LEU A 994 3.194 0.693 -6.505 1.00 0.00 H new ATOM 0 HD23 LEU A 994 2.978 -0.006 -4.883 1.00 0.00 H new ATOM 1264 N GLN A 995 0.613 -4.112 -6.878 1.00 0.00 N ATOM 1265 CA GLN A 995 -0.532 -4.668 -7.600 1.00 0.00 C ATOM 1266 C GLN A 995 -1.770 -4.814 -6.696 1.00 0.00 C ATOM 1267 O GLN A 995 -2.819 -4.245 -7.009 1.00 0.00 O ATOM 1268 CB GLN A 995 -0.179 -6.004 -8.268 1.00 0.00 C ATOM 1269 CG GLN A 995 -1.342 -6.625 -9.032 1.00 0.00 C ATOM 1270 CD GLN A 995 -1.876 -5.719 -10.131 1.00 0.00 C ATOM 1271 OE1 GLN A 995 -2.820 -4.859 -9.786 1.00 0.00 O flip ATOM 1272 NE2 GLN A 995 -1.437 -5.788 -11.276 1.00 0.00 N flip ATOM 0 H GLN A 995 1.425 -4.728 -6.825 1.00 0.00 H new ATOM 0 HA GLN A 995 -0.786 -3.956 -8.385 1.00 0.00 H new ATOM 0 HB2 GLN A 995 0.655 -5.850 -8.953 1.00 0.00 H new ATOM 0 HB3 GLN A 995 0.160 -6.705 -7.505 1.00 0.00 H new ATOM 0 HG2 GLN A 995 -1.020 -7.569 -9.471 1.00 0.00 H new ATOM 0 HG3 GLN A 995 -2.147 -6.856 -8.334 1.00 0.00 H new ATOM 0 HE21 GLN A 995 -0.708 -6.465 -11.503 1.00 0.00 H new ATOM 0 HE22 GLN A 995 -1.801 -5.168 -12.000 1.00 0.00 H new ATOM 1281 N PRO A 996 -1.697 -5.579 -5.580 1.00 0.00 N ATOM 1282 CA PRO A 996 -2.829 -5.719 -4.653 1.00 0.00 C ATOM 1283 C PRO A 996 -3.303 -4.374 -4.117 1.00 0.00 C ATOM 1284 O PRO A 996 -4.506 -4.129 -4.006 1.00 0.00 O ATOM 1285 CB PRO A 996 -2.267 -6.576 -3.516 1.00 0.00 C ATOM 1286 CG PRO A 996 -1.135 -7.317 -4.130 1.00 0.00 C ATOM 1287 CD PRO A 996 -0.541 -6.377 -5.139 1.00 0.00 C ATOM 0 HA PRO A 996 -3.698 -6.159 -5.141 1.00 0.00 H new ATOM 0 HB2 PRO A 996 -1.931 -5.959 -2.683 1.00 0.00 H new ATOM 0 HB3 PRO A 996 -3.021 -7.258 -3.124 1.00 0.00 H new ATOM 0 HG2 PRO A 996 -0.399 -7.602 -3.378 1.00 0.00 H new ATOM 0 HG3 PRO A 996 -1.479 -8.236 -4.605 1.00 0.00 H new ATOM 0 HD2 PRO A 996 0.235 -5.751 -4.698 1.00 0.00 H new ATOM 0 HD3 PRO A 996 -0.083 -6.915 -5.969 1.00 0.00 H new ATOM 1295 N GLY A 997 -2.349 -3.504 -3.795 1.00 0.00 N ATOM 1296 CA GLY A 997 -2.681 -2.182 -3.309 1.00 0.00 C ATOM 1297 C GLY A 997 -3.504 -1.404 -4.311 1.00 0.00 C ATOM 1298 O GLY A 997 -4.562 -0.870 -3.974 1.00 0.00 O ATOM 0 H GLY A 997 -1.349 -3.695 -3.864 1.00 0.00 H new ATOM 0 HA2 GLY A 997 -3.233 -2.267 -2.373 1.00 0.00 H new ATOM 0 HA3 GLY A 997 -1.764 -1.635 -3.089 1.00 0.00 H new ATOM 1302 N GLY A 998 -3.028 -1.364 -5.551 1.00 0.00 N ATOM 1303 CA GLY A 998 -3.742 -0.672 -6.608 1.00 0.00 C ATOM 1304 C GLY A 998 -5.121 -1.251 -6.846 1.00 0.00 C ATOM 1305 O GLY A 998 -6.065 -0.522 -7.152 1.00 0.00 O ATOM 0 H GLY A 998 -2.155 -1.802 -5.844 1.00 0.00 H new ATOM 0 HA2 GLY A 998 -3.833 0.383 -6.351 1.00 0.00 H new ATOM 0 HA3 GLY A 998 -3.163 -0.727 -7.530 1.00 0.00 H new ATOM 1309 N LYS A 999 -5.240 -2.566 -6.700 1.00 0.00 N ATOM 1310 CA LYS A 999 -6.526 -3.236 -6.849 1.00 0.00 C ATOM 1311 C LYS A 999 -7.511 -2.763 -5.786 1.00 0.00 C ATOM 1312 O LYS A 999 -8.692 -2.564 -6.071 1.00 0.00 O ATOM 1313 CB LYS A 999 -6.374 -4.756 -6.765 1.00 0.00 C ATOM 1314 CG LYS A 999 -5.699 -5.377 -7.976 1.00 0.00 C ATOM 1315 CD LYS A 999 -5.713 -6.893 -7.892 1.00 0.00 C ATOM 1316 CE LYS A 999 -5.114 -7.533 -9.133 1.00 0.00 C ATOM 1317 NZ LYS A 999 -5.220 -9.015 -9.095 1.00 0.00 N ATOM 0 H LYS A 999 -4.463 -3.188 -6.479 1.00 0.00 H new ATOM 0 HA LYS A 999 -6.913 -2.978 -7.835 1.00 0.00 H new ATOM 0 HB2 LYS A 999 -5.798 -5.005 -5.874 1.00 0.00 H new ATOM 0 HB3 LYS A 999 -7.360 -5.203 -6.642 1.00 0.00 H new ATOM 0 HG2 LYS A 999 -6.208 -5.055 -8.885 1.00 0.00 H new ATOM 0 HG3 LYS A 999 -4.670 -5.023 -8.044 1.00 0.00 H new ATOM 0 HD2 LYS A 999 -5.155 -7.213 -7.012 1.00 0.00 H new ATOM 0 HD3 LYS A 999 -6.738 -7.240 -7.763 1.00 0.00 H new ATOM 0 HE2 LYS A 999 -5.624 -7.155 -10.019 1.00 0.00 H new ATOM 0 HE3 LYS A 999 -4.066 -7.246 -9.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 999 -4.801 -9.415 -9.958 1.00 0.00 H new ATOM 0 HZ2 LYS A 999 -4.712 -9.378 -8.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 999 -6.221 -9.290 -9.037 1.00 0.00 H new ATOM 1331 N MET A1000 -7.019 -2.563 -4.567 1.00 0.00 N ATOM 1332 CA MET A1000 -7.883 -2.145 -3.477 1.00 0.00 C ATOM 1333 C MET A1000 -8.217 -0.665 -3.611 1.00 0.00 C ATOM 1334 O MET A1000 -9.296 -0.232 -3.222 1.00 0.00 O ATOM 1335 CB MET A1000 -7.237 -2.434 -2.119 1.00 0.00 C ATOM 1336 CG MET A1000 -8.207 -2.296 -0.954 1.00 0.00 C ATOM 1337 SD MET A1000 -7.491 -2.798 0.625 1.00 0.00 S ATOM 1338 CE MET A1000 -6.236 -1.542 0.847 1.00 0.00 C ATOM 0 H MET A1000 -6.038 -2.683 -4.314 1.00 0.00 H new ATOM 0 HA MET A1000 -8.808 -2.719 -3.533 1.00 0.00 H new ATOM 0 HB2 MET A1000 -6.828 -3.444 -2.126 1.00 0.00 H new ATOM 0 HB3 MET A1000 -6.400 -1.752 -1.969 1.00 0.00 H new ATOM 0 HG2 MET A1000 -8.536 -1.259 -0.884 1.00 0.00 H new ATOM 0 HG3 MET A1000 -9.093 -2.899 -1.153 1.00 0.00 H new ATOM 0 HE1 MET A1000 -6.032 -1.416 1.910 1.00 0.00 H new ATOM 0 HE2 MET A1000 -5.323 -1.846 0.335 1.00 0.00 H new ATOM 0 HE3 MET A1000 -6.588 -0.598 0.431 1.00 0.00 H new ATOM 1348 N VAL A1001 -7.288 0.105 -4.175 1.00 0.00 N ATOM 1349 CA VAL A1001 -7.542 1.513 -4.470 1.00 0.00 C ATOM 1350 C VAL A1001 -8.711 1.640 -5.441 1.00 0.00 C ATOM 1351 O VAL A1001 -9.656 2.393 -5.199 1.00 0.00 O ATOM 1352 CB VAL A1001 -6.301 2.210 -5.078 1.00 0.00 C ATOM 1353 CG1 VAL A1001 -6.615 3.650 -5.455 1.00 0.00 C ATOM 1354 CG2 VAL A1001 -5.131 2.165 -4.111 1.00 0.00 C ATOM 0 H VAL A1001 -6.357 -0.221 -4.436 1.00 0.00 H new ATOM 0 HA VAL A1001 -7.780 2.004 -3.526 1.00 0.00 H new ATOM 0 HB VAL A1001 -6.026 1.670 -5.984 1.00 0.00 H new ATOM 0 HG11 VAL A1001 -5.726 4.117 -5.880 1.00 0.00 H new ATOM 0 HG12 VAL A1001 -7.420 3.666 -6.190 1.00 0.00 H new ATOM 0 HG13 VAL A1001 -6.924 4.200 -4.566 1.00 0.00 H new ATOM 0 HG21 VAL A1001 -4.270 2.661 -4.559 1.00 0.00 H new ATOM 0 HG22 VAL A1001 -5.403 2.675 -3.187 1.00 0.00 H new ATOM 0 HG23 VAL A1001 -4.879 1.127 -3.892 1.00 0.00 H new ATOM 1364 N ALA A1002 -8.645 0.880 -6.529 1.00 0.00 N ATOM 1365 CA ALA A1002 -9.701 0.883 -7.533 1.00 0.00 C ATOM 1366 C ALA A1002 -11.023 0.414 -6.936 1.00 0.00 C ATOM 1367 O ALA A1002 -12.066 1.036 -7.148 1.00 0.00 O ATOM 1368 CB ALA A1002 -9.311 0.004 -8.712 1.00 0.00 C ATOM 0 H ALA A1002 -7.868 0.252 -6.738 1.00 0.00 H new ATOM 0 HA ALA A1002 -9.832 1.906 -7.885 1.00 0.00 H new ATOM 0 HB1 ALA A1002 -10.109 0.016 -9.454 1.00 0.00 H new ATOM 0 HB2 ALA A1002 -8.393 0.383 -9.161 1.00 0.00 H new ATOM 0 HB3 ALA A1002 -9.151 -1.018 -8.367 1.00 0.00 H new ATOM 1374 N ALA A1003 -10.968 -0.673 -6.172 1.00 0.00 N ATOM 1375 CA ALA A1003 -12.158 -1.224 -5.533 1.00 0.00 C ATOM 1376 C ALA A1003 -12.746 -0.237 -4.526 1.00 0.00 C ATOM 1377 O ALA A1003 -13.962 -0.106 -4.412 1.00 0.00 O ATOM 1378 CB ALA A1003 -11.828 -2.548 -4.856 1.00 0.00 C ATOM 0 H ALA A1003 -10.110 -1.190 -5.980 1.00 0.00 H new ATOM 0 HA ALA A1003 -12.908 -1.403 -6.304 1.00 0.00 H new ATOM 0 HB1 ALA A1003 -12.725 -2.948 -4.383 1.00 0.00 H new ATOM 0 HB2 ALA A1003 -11.463 -3.256 -5.600 1.00 0.00 H new ATOM 0 HB3 ALA A1003 -11.059 -2.388 -4.100 1.00 0.00 H new ATOM 1384 N ALA A1004 -11.874 0.461 -3.807 1.00 0.00 N ATOM 1385 CA ALA A1004 -12.305 1.452 -2.829 1.00 0.00 C ATOM 1386 C ALA A1004 -13.039 2.597 -3.510 1.00 0.00 C ATOM 1387 O ALA A1004 -14.113 2.998 -3.070 1.00 0.00 O ATOM 1388 CB ALA A1004 -11.118 1.978 -2.039 1.00 0.00 C ATOM 0 H ALA A1004 -10.862 0.358 -3.884 1.00 0.00 H new ATOM 0 HA ALA A1004 -12.993 0.967 -2.136 1.00 0.00 H new ATOM 0 HB1 ALA A1004 -11.462 2.716 -1.315 1.00 0.00 H new ATOM 0 HB2 ALA A1004 -10.635 1.153 -1.515 1.00 0.00 H new ATOM 0 HB3 ALA A1004 -10.405 2.442 -2.720 1.00 0.00 H new ATOM 1394 N LYS A1005 -12.463 3.101 -4.597 1.00 0.00 N ATOM 1395 CA LYS A1005 -13.075 4.189 -5.356 1.00 0.00 C ATOM 1396 C LYS A1005 -14.437 3.777 -5.894 1.00 0.00 C ATOM 1397 O LYS A1005 -15.349 4.597 -5.993 1.00 0.00 O ATOM 1398 CB LYS A1005 -12.176 4.607 -6.515 1.00 0.00 C ATOM 1399 CG LYS A1005 -10.857 5.216 -6.075 1.00 0.00 C ATOM 1400 CD LYS A1005 -10.018 5.644 -7.267 1.00 0.00 C ATOM 1401 CE LYS A1005 -8.697 6.249 -6.825 1.00 0.00 C ATOM 1402 NZ LYS A1005 -7.859 6.660 -7.981 1.00 0.00 N ATOM 0 H LYS A1005 -11.573 2.774 -4.973 1.00 0.00 H new ATOM 0 HA LYS A1005 -13.204 5.034 -4.679 1.00 0.00 H new ATOM 0 HB2 LYS A1005 -11.974 3.736 -7.139 1.00 0.00 H new ATOM 0 HB3 LYS A1005 -12.709 5.327 -7.136 1.00 0.00 H new ATOM 0 HG2 LYS A1005 -11.048 6.077 -5.435 1.00 0.00 H new ATOM 0 HG3 LYS A1005 -10.302 4.492 -5.478 1.00 0.00 H new ATOM 0 HD2 LYS A1005 -9.829 4.784 -7.909 1.00 0.00 H new ATOM 0 HD3 LYS A1005 -10.572 6.370 -7.862 1.00 0.00 H new ATOM 0 HE2 LYS A1005 -8.889 7.114 -6.190 1.00 0.00 H new ATOM 0 HE3 LYS A1005 -8.151 5.525 -6.220 1.00 0.00 H new ATOM 0 HZ1 LYS A1005 -6.967 7.068 -7.635 1.00 0.00 H new ATOM 0 HZ2 LYS A1005 -7.654 5.830 -8.574 1.00 0.00 H new ATOM 0 HZ3 LYS A1005 -8.369 7.370 -8.544 1.00 0.00 H new ATOM 1416 N ALA A1006 -14.565 2.505 -6.229 1.00 0.00 N ATOM 1417 CA ALA A1006 -15.806 1.975 -6.765 1.00 0.00 C ATOM 1418 C ALA A1006 -16.831 1.752 -5.657 1.00 0.00 C ATOM 1419 O ALA A1006 -18.033 1.684 -5.914 1.00 0.00 O ATOM 1420 CB ALA A1006 -15.533 0.687 -7.520 1.00 0.00 C ATOM 0 H ALA A1006 -13.819 1.816 -6.138 1.00 0.00 H new ATOM 0 HA ALA A1006 -16.226 2.704 -7.457 1.00 0.00 H new ATOM 0 HB1 ALA A1006 -16.468 0.294 -7.920 1.00 0.00 H new ATOM 0 HB2 ALA A1006 -14.843 0.885 -8.340 1.00 0.00 H new ATOM 0 HB3 ALA A1006 -15.092 -0.045 -6.843 1.00 0.00 H new ATOM 1426 N SER A1007 -16.349 1.649 -4.423 1.00 0.00 N ATOM 1427 CA SER A1007 -17.219 1.450 -3.273 1.00 0.00 C ATOM 1428 C SER A1007 -17.608 2.785 -2.644 1.00 0.00 C ATOM 1429 O SER A1007 -18.524 2.850 -1.829 1.00 0.00 O ATOM 1430 CB SER A1007 -16.528 0.567 -2.234 1.00 0.00 C ATOM 1431 OG SER A1007 -17.376 0.313 -1.126 1.00 0.00 O ATOM 0 H SER A1007 -15.356 1.701 -4.195 1.00 0.00 H new ATOM 0 HA SER A1007 -18.127 0.955 -3.618 1.00 0.00 H new ATOM 0 HB2 SER A1007 -16.234 -0.377 -2.694 1.00 0.00 H new ATOM 0 HB3 SER A1007 -15.614 1.052 -1.891 1.00 0.00 H new ATOM 0 HG SER A1007 -17.993 1.065 -1.007 1.00 0.00 H new ATOM 1437 N VAL A1008 -16.903 3.844 -3.017 1.00 0.00 N ATOM 1438 CA VAL A1008 -17.209 5.180 -2.518 1.00 0.00 C ATOM 1439 C VAL A1008 -18.666 5.581 -2.809 1.00 0.00 C ATOM 1440 O VAL A1008 -19.386 5.974 -1.894 1.00 0.00 O ATOM 1441 CB VAL A1008 -16.238 6.240 -3.094 1.00 0.00 C ATOM 1442 CG1 VAL A1008 -16.668 7.648 -2.704 1.00 0.00 C ATOM 1443 CG2 VAL A1008 -14.818 5.970 -2.614 1.00 0.00 C ATOM 0 H VAL A1008 -16.115 3.805 -3.663 1.00 0.00 H new ATOM 0 HA VAL A1008 -17.077 5.145 -1.437 1.00 0.00 H new ATOM 0 HB VAL A1008 -16.264 6.168 -4.181 1.00 0.00 H new ATOM 0 HG11 VAL A1008 -15.968 8.371 -3.122 1.00 0.00 H new ATOM 0 HG12 VAL A1008 -17.667 7.844 -3.092 1.00 0.00 H new ATOM 0 HG13 VAL A1008 -16.677 7.738 -1.618 1.00 0.00 H new ATOM 0 HG21 VAL A1008 -14.145 6.722 -3.026 1.00 0.00 H new ATOM 0 HG22 VAL A1008 -14.788 6.013 -1.525 1.00 0.00 H new ATOM 0 HG23 VAL A1008 -14.503 4.981 -2.947 1.00 0.00 H new ATOM 1453 N PRO A1009 -19.139 5.480 -4.072 1.00 0.00 N ATOM 1454 CA PRO A1009 -20.507 5.875 -4.417 1.00 0.00 C ATOM 1455 C PRO A1009 -21.572 4.952 -3.827 1.00 0.00 C ATOM 1456 O PRO A1009 -22.740 5.326 -3.744 1.00 0.00 O ATOM 1457 CB PRO A1009 -20.530 5.800 -5.945 1.00 0.00 C ATOM 1458 CG PRO A1009 -19.462 4.825 -6.294 1.00 0.00 C ATOM 1459 CD PRO A1009 -18.395 4.999 -5.253 1.00 0.00 C ATOM 0 HA PRO A1009 -20.744 6.860 -4.015 1.00 0.00 H new ATOM 0 HB2 PRO A1009 -21.502 5.469 -6.310 1.00 0.00 H new ATOM 0 HB3 PRO A1009 -20.337 6.775 -6.392 1.00 0.00 H new ATOM 0 HG2 PRO A1009 -19.847 3.805 -6.293 1.00 0.00 H new ATOM 0 HG3 PRO A1009 -19.069 5.016 -7.293 1.00 0.00 H new ATOM 0 HD2 PRO A1009 -17.879 4.061 -5.047 1.00 0.00 H new ATOM 0 HD3 PRO A1009 -17.638 5.717 -5.570 1.00 0.00 H new ATOM 1467 N THR A1010 -21.181 3.751 -3.414 1.00 0.00 N ATOM 1468 CA THR A1010 -22.144 2.801 -2.875 1.00 0.00 C ATOM 1469 C THR A1010 -22.375 3.041 -1.384 1.00 0.00 C ATOM 1470 O THR A1010 -23.334 2.528 -0.804 1.00 0.00 O ATOM 1471 CB THR A1010 -21.703 1.342 -3.113 1.00 0.00 C ATOM 1472 OG1 THR A1010 -20.399 1.113 -2.574 1.00 0.00 O ATOM 1473 CG2 THR A1010 -21.701 1.012 -4.596 1.00 0.00 C ATOM 0 H THR A1010 -20.218 3.417 -3.442 1.00 0.00 H new ATOM 0 HA THR A1010 -23.082 2.962 -3.407 1.00 0.00 H new ATOM 0 HB THR A1010 -22.418 0.694 -2.606 1.00 0.00 H new ATOM 0 HG1 THR A1010 -20.041 1.952 -2.216 1.00 0.00 H new ATOM 0 HG21 THR A1010 -21.387 -0.022 -4.738 1.00 0.00 H new ATOM 0 HG22 THR A1010 -22.705 1.145 -5.000 1.00 0.00 H new ATOM 0 HG23 THR A1010 -21.010 1.676 -5.116 1.00 0.00 H new ATOM 1481 N ILE A1011 -21.495 3.826 -0.774 1.00 0.00 N ATOM 1482 CA ILE A1011 -21.639 4.193 0.626 1.00 0.00 C ATOM 1483 C ILE A1011 -22.702 5.276 0.773 1.00 0.00 C ATOM 1484 O ILE A1011 -22.627 6.320 0.123 1.00 0.00 O ATOM 1485 CB ILE A1011 -20.309 4.703 1.221 1.00 0.00 C ATOM 1486 CG1 ILE A1011 -19.205 3.666 1.020 1.00 0.00 C ATOM 1487 CG2 ILE A1011 -20.473 5.015 2.702 1.00 0.00 C ATOM 1488 CD1 ILE A1011 -17.840 4.141 1.466 1.00 0.00 C ATOM 0 H ILE A1011 -20.672 4.221 -1.230 1.00 0.00 H new ATOM 0 HA ILE A1011 -21.938 3.298 1.172 1.00 0.00 H new ATOM 0 HB ILE A1011 -20.028 5.619 0.702 1.00 0.00 H new ATOM 0 HG12 ILE A1011 -19.463 2.761 1.570 1.00 0.00 H new ATOM 0 HG13 ILE A1011 -19.160 3.396 -0.035 1.00 0.00 H new ATOM 0 HG21 ILE A1011 -19.526 5.373 3.105 1.00 0.00 H new ATOM 0 HG22 ILE A1011 -21.236 5.783 2.830 1.00 0.00 H new ATOM 0 HG23 ILE A1011 -20.775 4.112 3.233 1.00 0.00 H new ATOM 0 HD11 ILE A1011 -17.106 3.353 1.294 1.00 0.00 H new ATOM 0 HD12 ILE A1011 -17.560 5.028 0.898 1.00 0.00 H new ATOM 0 HD13 ILE A1011 -17.868 4.384 2.528 1.00 0.00 H new ATOM 1500 N GLN A1012 -23.694 5.021 1.612 1.00 0.00 N ATOM 1501 CA GLN A1012 -24.756 5.988 1.852 1.00 0.00 C ATOM 1502 C GLN A1012 -24.232 7.118 2.728 1.00 0.00 C ATOM 1503 O GLN A1012 -24.666 8.264 2.615 1.00 0.00 O ATOM 1504 CB GLN A1012 -25.951 5.304 2.517 1.00 0.00 C ATOM 1505 CG GLN A1012 -27.145 6.222 2.731 1.00 0.00 C ATOM 1506 CD GLN A1012 -28.310 5.521 3.398 1.00 0.00 C ATOM 1507 OE1 GLN A1012 -28.512 4.318 3.230 1.00 0.00 O ATOM 1508 NE2 GLN A1012 -29.083 6.270 4.164 1.00 0.00 N ATOM 0 H GLN A1012 -23.787 4.152 2.139 1.00 0.00 H new ATOM 0 HA GLN A1012 -25.085 6.404 0.900 1.00 0.00 H new ATOM 0 HB2 GLN A1012 -26.261 4.458 1.903 1.00 0.00 H new ATOM 0 HB3 GLN A1012 -25.637 4.901 3.480 1.00 0.00 H new ATOM 0 HG2 GLN A1012 -26.840 7.072 3.342 1.00 0.00 H new ATOM 0 HG3 GLN A1012 -27.468 6.620 1.769 1.00 0.00 H new ATOM 0 HE21 GLN A1012 -28.881 7.263 4.277 1.00 0.00 H new ATOM 0 HE22 GLN A1012 -29.882 5.855 4.643 1.00 0.00 H new ATOM 1517 N ASP A1013 -23.287 6.780 3.599 1.00 0.00 N ATOM 1518 CA ASP A1013 -22.638 7.765 4.453 1.00 0.00 C ATOM 1519 C ASP A1013 -21.648 8.575 3.629 1.00 0.00 C ATOM 1520 O ASP A1013 -20.520 8.142 3.398 1.00 0.00 O ATOM 1521 CB ASP A1013 -21.906 7.088 5.617 1.00 0.00 C ATOM 1522 CG ASP A1013 -22.800 6.184 6.434 1.00 0.00 C ATOM 1523 OD1 ASP A1013 -23.617 6.708 7.221 1.00 0.00 O ATOM 1524 OD2 ASP A1013 -22.689 4.946 6.306 1.00 0.00 O ATOM 0 H ASP A1013 -22.953 5.825 3.731 1.00 0.00 H new ATOM 0 HA ASP A1013 -23.403 8.422 4.866 1.00 0.00 H new ATOM 0 HB2 ASP A1013 -21.072 6.506 5.225 1.00 0.00 H new ATOM 0 HB3 ASP A1013 -21.483 7.854 6.267 1.00 0.00 H new ATOM 1529 N GLN A1014 -22.077 9.745 3.182 1.00 0.00 N ATOM 1530 CA GLN A1014 -21.291 10.551 2.255 1.00 0.00 C ATOM 1531 C GLN A1014 -19.937 10.946 2.846 1.00 0.00 C ATOM 1532 O GLN A1014 -18.925 10.933 2.143 1.00 0.00 O ATOM 1533 CB GLN A1014 -22.080 11.791 1.833 1.00 0.00 C ATOM 1534 CG GLN A1014 -23.376 11.449 1.110 1.00 0.00 C ATOM 1535 CD GLN A1014 -24.106 12.670 0.587 1.00 0.00 C ATOM 1536 OE1 GLN A1014 -23.492 13.683 0.250 1.00 0.00 O ATOM 1537 NE2 GLN A1014 -25.422 12.576 0.498 1.00 0.00 N ATOM 0 H GLN A1014 -22.970 10.161 3.447 1.00 0.00 H new ATOM 0 HA GLN A1014 -21.091 9.941 1.374 1.00 0.00 H new ATOM 0 HB2 GLN A1014 -22.309 12.388 2.716 1.00 0.00 H new ATOM 0 HB3 GLN A1014 -21.459 12.407 1.183 1.00 0.00 H new ATOM 0 HG2 GLN A1014 -23.155 10.781 0.277 1.00 0.00 H new ATOM 0 HG3 GLN A1014 -24.032 10.905 1.790 1.00 0.00 H new ATOM 0 HE21 GLN A1014 -25.893 11.719 0.788 1.00 0.00 H new ATOM 0 HE22 GLN A1014 -25.966 13.361 0.140 1.00 0.00 H new ATOM 1546 N ALA A1015 -19.911 11.280 4.130 1.00 0.00 N ATOM 1547 CA ALA A1015 -18.664 11.623 4.806 1.00 0.00 C ATOM 1548 C ALA A1015 -17.705 10.435 4.814 1.00 0.00 C ATOM 1549 O ALA A1015 -16.520 10.576 4.509 1.00 0.00 O ATOM 1550 CB ALA A1015 -18.935 12.095 6.227 1.00 0.00 C ATOM 0 H ALA A1015 -20.738 11.321 4.725 1.00 0.00 H new ATOM 0 HA ALA A1015 -18.195 12.438 4.254 1.00 0.00 H new ATOM 0 HB1 ALA A1015 -17.992 12.346 6.713 1.00 0.00 H new ATOM 0 HB2 ALA A1015 -19.576 12.976 6.202 1.00 0.00 H new ATOM 0 HB3 ALA A1015 -19.431 11.301 6.786 1.00 0.00 H new ATOM 1556 N SER A1016 -18.230 9.262 5.147 1.00 0.00 N ATOM 1557 CA SER A1016 -17.429 8.046 5.181 1.00 0.00 C ATOM 1558 C SER A1016 -16.994 7.640 3.773 1.00 0.00 C ATOM 1559 O SER A1016 -15.940 7.028 3.590 1.00 0.00 O ATOM 1560 CB SER A1016 -18.224 6.922 5.839 1.00 0.00 C ATOM 1561 OG SER A1016 -18.645 7.303 7.140 1.00 0.00 O ATOM 0 H SER A1016 -19.210 9.128 5.398 1.00 0.00 H new ATOM 0 HA SER A1016 -16.530 8.237 5.768 1.00 0.00 H new ATOM 0 HB2 SER A1016 -19.092 6.677 5.227 1.00 0.00 H new ATOM 0 HB3 SER A1016 -17.611 6.022 5.898 1.00 0.00 H new ATOM 0 HG SER A1016 -19.155 6.571 7.546 1.00 0.00 H new ATOM 1567 N ALA A1017 -17.808 7.989 2.783 1.00 0.00 N ATOM 1568 CA ALA A1017 -17.464 7.754 1.388 1.00 0.00 C ATOM 1569 C ALA A1017 -16.264 8.603 0.992 1.00 0.00 C ATOM 1570 O ALA A1017 -15.325 8.120 0.358 1.00 0.00 O ATOM 1571 CB ALA A1017 -18.653 8.056 0.489 1.00 0.00 C ATOM 0 H ALA A1017 -18.714 8.437 2.923 1.00 0.00 H new ATOM 0 HA ALA A1017 -17.201 6.703 1.266 1.00 0.00 H new ATOM 0 HB1 ALA A1017 -18.379 7.875 -0.550 1.00 0.00 H new ATOM 0 HB2 ALA A1017 -19.488 7.411 0.761 1.00 0.00 H new ATOM 0 HB3 ALA A1017 -18.946 9.099 0.611 1.00 0.00 H new ATOM 1577 N MET A1018 -16.299 9.870 1.390 1.00 0.00 N ATOM 1578 CA MET A1018 -15.192 10.784 1.141 1.00 0.00 C ATOM 1579 C MET A1018 -13.951 10.320 1.894 1.00 0.00 C ATOM 1580 O MET A1018 -12.826 10.475 1.419 1.00 0.00 O ATOM 1581 CB MET A1018 -15.576 12.202 1.567 1.00 0.00 C ATOM 1582 CG MET A1018 -16.768 12.755 0.805 1.00 0.00 C ATOM 1583 SD MET A1018 -17.326 14.348 1.434 1.00 0.00 S ATOM 1584 CE MET A1018 -18.748 14.635 0.381 1.00 0.00 C ATOM 0 H MET A1018 -17.085 10.288 1.888 1.00 0.00 H new ATOM 0 HA MET A1018 -14.970 10.789 0.074 1.00 0.00 H new ATOM 0 HB2 MET A1018 -15.802 12.205 2.633 1.00 0.00 H new ATOM 0 HB3 MET A1018 -14.721 12.862 1.420 1.00 0.00 H new ATOM 0 HG2 MET A1018 -16.504 12.858 -0.247 1.00 0.00 H new ATOM 0 HG3 MET A1018 -17.590 12.041 0.859 1.00 0.00 H new ATOM 0 HE1 MET A1018 -19.209 15.587 0.644 1.00 0.00 H new ATOM 0 HE2 MET A1018 -18.430 14.662 -0.661 1.00 0.00 H new ATOM 0 HE3 MET A1018 -19.471 13.831 0.519 1.00 0.00 H new ATOM 1594 N GLN A1019 -14.171 9.740 3.070 1.00 0.00 N ATOM 1595 CA GLN A1019 -13.093 9.153 3.858 1.00 0.00 C ATOM 1596 C GLN A1019 -12.423 8.021 3.085 1.00 0.00 C ATOM 1597 O GLN A1019 -11.209 8.027 2.892 1.00 0.00 O ATOM 1598 CB GLN A1019 -13.637 8.633 5.191 1.00 0.00 C ATOM 1599 CG GLN A1019 -12.600 7.938 6.060 1.00 0.00 C ATOM 1600 CD GLN A1019 -13.185 7.431 7.361 1.00 0.00 C ATOM 1601 OE1 GLN A1019 -13.213 8.142 8.362 1.00 0.00 O ATOM 1602 NE2 GLN A1019 -13.662 6.197 7.354 1.00 0.00 N ATOM 0 H GLN A1019 -15.093 9.664 3.500 1.00 0.00 H new ATOM 0 HA GLN A1019 -12.349 9.924 4.058 1.00 0.00 H new ATOM 0 HB2 GLN A1019 -14.060 9.469 5.748 1.00 0.00 H new ATOM 0 HB3 GLN A1019 -14.452 7.937 4.991 1.00 0.00 H new ATOM 0 HG2 GLN A1019 -12.169 7.103 5.509 1.00 0.00 H new ATOM 0 HG3 GLN A1019 -11.787 8.631 6.276 1.00 0.00 H new ATOM 0 HE21 GLN A1019 -13.620 5.639 6.501 1.00 0.00 H new ATOM 0 HE22 GLN A1019 -14.072 5.804 8.201 1.00 0.00 H new ATOM 1611 N LEU A1020 -13.228 7.065 2.627 1.00 0.00 N ATOM 1612 CA LEU A1020 -12.722 5.923 1.872 1.00 0.00 C ATOM 1613 C LEU A1020 -11.990 6.383 0.615 1.00 0.00 C ATOM 1614 O LEU A1020 -10.919 5.870 0.280 1.00 0.00 O ATOM 1615 CB LEU A1020 -13.872 4.980 1.495 1.00 0.00 C ATOM 1616 CG LEU A1020 -13.475 3.768 0.646 1.00 0.00 C ATOM 1617 CD1 LEU A1020 -12.449 2.915 1.372 1.00 0.00 C ATOM 1618 CD2 LEU A1020 -14.699 2.939 0.294 1.00 0.00 C ATOM 0 H LEU A1020 -14.238 7.060 2.767 1.00 0.00 H new ATOM 0 HA LEU A1020 -12.016 5.385 2.505 1.00 0.00 H new ATOM 0 HB2 LEU A1020 -14.342 4.622 2.411 1.00 0.00 H new ATOM 0 HB3 LEU A1020 -14.625 5.551 0.953 1.00 0.00 H new ATOM 0 HG LEU A1020 -13.026 4.133 -0.278 1.00 0.00 H new ATOM 0 HD11 LEU A1020 -12.182 2.060 0.751 1.00 0.00 H new ATOM 0 HD12 LEU A1020 -11.558 3.510 1.573 1.00 0.00 H new ATOM 0 HD13 LEU A1020 -12.870 2.562 2.313 1.00 0.00 H new ATOM 0 HD21 LEU A1020 -14.397 2.083 -0.309 1.00 0.00 H new ATOM 0 HD22 LEU A1020 -15.176 2.588 1.209 1.00 0.00 H new ATOM 0 HD23 LEU A1020 -15.403 3.551 -0.271 1.00 0.00 H new ATOM 1630 N SER A1021 -12.572 7.361 -0.068 1.00 0.00 N ATOM 1631 CA SER A1021 -11.963 7.930 -1.260 1.00 0.00 C ATOM 1632 C SER A1021 -10.597 8.524 -0.931 1.00 0.00 C ATOM 1633 O SER A1021 -9.632 8.341 -1.674 1.00 0.00 O ATOM 1634 CB SER A1021 -12.881 9.003 -1.854 1.00 0.00 C ATOM 1635 OG SER A1021 -12.336 9.555 -3.039 1.00 0.00 O ATOM 0 H SER A1021 -13.468 7.777 0.186 1.00 0.00 H new ATOM 0 HA SER A1021 -11.824 7.137 -1.995 1.00 0.00 H new ATOM 0 HB2 SER A1021 -13.858 8.569 -2.069 1.00 0.00 H new ATOM 0 HB3 SER A1021 -13.038 9.795 -1.122 1.00 0.00 H new ATOM 0 HG SER A1021 -12.946 10.235 -3.394 1.00 0.00 H new ATOM 1641 N GLN A1022 -10.520 9.216 0.199 1.00 0.00 N ATOM 1642 CA GLN A1022 -9.288 9.861 0.624 1.00 0.00 C ATOM 1643 C GLN A1022 -8.234 8.825 1.008 1.00 0.00 C ATOM 1644 O GLN A1022 -7.055 8.983 0.682 1.00 0.00 O ATOM 1645 CB GLN A1022 -9.575 10.807 1.791 1.00 0.00 C ATOM 1646 CG GLN A1022 -8.370 11.611 2.243 1.00 0.00 C ATOM 1647 CD GLN A1022 -8.747 12.696 3.228 1.00 0.00 C ATOM 1648 OE1 GLN A1022 -8.767 12.476 4.436 1.00 0.00 O ATOM 1649 NE2 GLN A1022 -9.049 13.877 2.717 1.00 0.00 N ATOM 0 H GLN A1022 -11.303 9.344 0.840 1.00 0.00 H new ATOM 0 HA GLN A1022 -8.891 10.441 -0.209 1.00 0.00 H new ATOM 0 HB2 GLN A1022 -10.370 11.494 1.501 1.00 0.00 H new ATOM 0 HB3 GLN A1022 -9.948 10.225 2.634 1.00 0.00 H new ATOM 0 HG2 GLN A1022 -7.640 10.943 2.701 1.00 0.00 H new ATOM 0 HG3 GLN A1022 -7.889 12.061 1.375 1.00 0.00 H new ATOM 0 HE21 GLN A1022 -9.020 14.018 1.707 1.00 0.00 H new ATOM 0 HE22 GLN A1022 -9.311 14.647 3.332 1.00 0.00 H new ATOM 1658 N CYS A1023 -8.664 7.761 1.684 1.00 0.00 N ATOM 1659 CA CYS A1023 -7.765 6.669 2.050 1.00 0.00 C ATOM 1660 C CYS A1023 -7.111 6.074 0.806 1.00 0.00 C ATOM 1661 O CYS A1023 -5.883 5.979 0.724 1.00 0.00 O ATOM 1662 CB CYS A1023 -8.525 5.574 2.803 1.00 0.00 C ATOM 1663 SG CYS A1023 -9.297 6.116 4.346 1.00 0.00 S ATOM 0 H CYS A1023 -9.629 7.632 1.989 1.00 0.00 H new ATOM 0 HA CYS A1023 -6.990 7.075 2.701 1.00 0.00 H new ATOM 0 HB2 CYS A1023 -9.297 5.170 2.148 1.00 0.00 H new ATOM 0 HB3 CYS A1023 -7.836 4.759 3.024 1.00 0.00 H new ATOM 0 HG CYS A1023 -10.220 6.994 4.085 1.00 0.00 H new ATOM 1669 N ALA A1024 -7.938 5.700 -0.166 1.00 0.00 N ATOM 1670 CA ALA A1024 -7.455 5.098 -1.403 1.00 0.00 C ATOM 1671 C ALA A1024 -6.613 6.085 -2.203 1.00 0.00 C ATOM 1672 O ALA A1024 -5.617 5.708 -2.819 1.00 0.00 O ATOM 1673 CB ALA A1024 -8.623 4.604 -2.241 1.00 0.00 C ATOM 0 H ALA A1024 -8.952 5.804 -0.119 1.00 0.00 H new ATOM 0 HA ALA A1024 -6.824 4.249 -1.140 1.00 0.00 H new ATOM 0 HB1 ALA A1024 -8.247 4.157 -3.161 1.00 0.00 H new ATOM 0 HB2 ALA A1024 -9.185 3.858 -1.678 1.00 0.00 H new ATOM 0 HB3 ALA A1024 -9.276 5.442 -2.485 1.00 0.00 H new ATOM 1679 N LYS A1025 -7.019 7.347 -2.184 1.00 0.00 N ATOM 1680 CA LYS A1025 -6.300 8.399 -2.892 1.00 0.00 C ATOM 1681 C LYS A1025 -4.877 8.528 -2.358 1.00 0.00 C ATOM 1682 O LYS A1025 -3.915 8.602 -3.127 1.00 0.00 O ATOM 1683 CB LYS A1025 -7.042 9.729 -2.745 1.00 0.00 C ATOM 1684 CG LYS A1025 -6.431 10.874 -3.538 1.00 0.00 C ATOM 1685 CD LYS A1025 -7.235 12.156 -3.376 1.00 0.00 C ATOM 1686 CE LYS A1025 -8.678 11.983 -3.835 1.00 0.00 C ATOM 1687 NZ LYS A1025 -8.780 11.677 -5.286 1.00 0.00 N ATOM 0 H LYS A1025 -7.847 7.669 -1.683 1.00 0.00 H new ATOM 0 HA LYS A1025 -6.249 8.136 -3.948 1.00 0.00 H new ATOM 0 HB2 LYS A1025 -8.076 9.593 -3.063 1.00 0.00 H new ATOM 0 HB3 LYS A1025 -7.066 10.004 -1.691 1.00 0.00 H new ATOM 0 HG2 LYS A1025 -5.406 11.042 -3.206 1.00 0.00 H new ATOM 0 HG3 LYS A1025 -6.384 10.603 -4.593 1.00 0.00 H new ATOM 0 HD2 LYS A1025 -7.221 12.464 -2.330 1.00 0.00 H new ATOM 0 HD3 LYS A1025 -6.765 12.955 -3.950 1.00 0.00 H new ATOM 0 HE2 LYS A1025 -9.144 11.180 -3.264 1.00 0.00 H new ATOM 0 HE3 LYS A1025 -9.237 12.894 -3.619 1.00 0.00 H new ATOM 0 HZ1 LYS A1025 -9.781 11.669 -5.570 1.00 0.00 H new ATOM 0 HZ2 LYS A1025 -8.272 12.403 -5.830 1.00 0.00 H new ATOM 0 HZ3 LYS A1025 -8.359 10.745 -5.475 1.00 0.00 H new ATOM 1701 N ASN A1026 -4.753 8.539 -1.037 1.00 0.00 N ATOM 1702 CA ASN A1026 -3.451 8.632 -0.392 1.00 0.00 C ATOM 1703 C ASN A1026 -2.657 7.350 -0.598 1.00 0.00 C ATOM 1704 O ASN A1026 -1.446 7.391 -0.813 1.00 0.00 O ATOM 1705 CB ASN A1026 -3.600 8.930 1.103 1.00 0.00 C ATOM 1706 CG ASN A1026 -4.068 10.351 1.369 1.00 0.00 C ATOM 1707 OD1 ASN A1026 -3.780 11.267 0.596 1.00 0.00 O ATOM 1708 ND2 ASN A1026 -4.789 10.546 2.464 1.00 0.00 N ATOM 0 H ASN A1026 -5.540 8.485 -0.391 1.00 0.00 H new ATOM 0 HA ASN A1026 -2.907 9.456 -0.853 1.00 0.00 H new ATOM 0 HB2 ASN A1026 -4.310 8.229 1.541 1.00 0.00 H new ATOM 0 HB3 ASN A1026 -2.644 8.767 1.600 1.00 0.00 H new ATOM 0 HD21 ASN A1026 -5.127 11.481 2.692 1.00 0.00 H new ATOM 0 HD22 ASN A1026 -5.006 9.761 3.078 1.00 0.00 H new ATOM 1715 N LEU A1027 -3.348 6.214 -0.547 1.00 0.00 N ATOM 1716 CA LEU A1027 -2.730 4.920 -0.817 1.00 0.00 C ATOM 1717 C LEU A1027 -2.133 4.906 -2.223 1.00 0.00 C ATOM 1718 O LEU A1027 -1.059 4.349 -2.445 1.00 0.00 O ATOM 1719 CB LEU A1027 -3.761 3.791 -0.658 1.00 0.00 C ATOM 1720 CG LEU A1027 -3.232 2.370 -0.887 1.00 0.00 C ATOM 1721 CD1 LEU A1027 -2.112 2.045 0.091 1.00 0.00 C ATOM 1722 CD2 LEU A1027 -4.362 1.354 -0.760 1.00 0.00 C ATOM 0 H LEU A1027 -4.341 6.164 -0.320 1.00 0.00 H new ATOM 0 HA LEU A1027 -1.928 4.757 -0.097 1.00 0.00 H new ATOM 0 HB2 LEU A1027 -4.180 3.845 0.347 1.00 0.00 H new ATOM 0 HB3 LEU A1027 -4.580 3.971 -1.355 1.00 0.00 H new ATOM 0 HG LEU A1027 -2.828 2.316 -1.898 1.00 0.00 H new ATOM 0 HD11 LEU A1027 -1.753 1.032 -0.091 1.00 0.00 H new ATOM 0 HD12 LEU A1027 -1.293 2.751 -0.047 1.00 0.00 H new ATOM 0 HD13 LEU A1027 -2.487 2.119 1.112 1.00 0.00 H new ATOM 0 HD21 LEU A1027 -3.969 0.351 -0.925 1.00 0.00 H new ATOM 0 HD22 LEU A1027 -4.795 1.414 0.239 1.00 0.00 H new ATOM 0 HD23 LEU A1027 -5.130 1.570 -1.502 1.00 0.00 H new ATOM 1734 N GLY A1028 -2.832 5.539 -3.162 1.00 0.00 N ATOM 1735 CA GLY A1028 -2.330 5.665 -4.518 1.00 0.00 C ATOM 1736 C GLY A1028 -1.001 6.395 -4.577 1.00 0.00 C ATOM 1737 O GLY A1028 -0.105 6.005 -5.325 1.00 0.00 O ATOM 0 H GLY A1028 -3.743 5.969 -3.005 1.00 0.00 H new ATOM 0 HA2 GLY A1028 -2.216 4.673 -4.954 1.00 0.00 H new ATOM 0 HA3 GLY A1028 -3.062 6.198 -5.125 1.00 0.00 H new ATOM 1741 N THR A1029 -0.868 7.451 -3.779 1.00 0.00 N ATOM 1742 CA THR A1029 0.379 8.202 -3.702 1.00 0.00 C ATOM 1743 C THR A1029 1.436 7.408 -2.938 1.00 0.00 C ATOM 1744 O THR A1029 2.622 7.448 -3.270 1.00 0.00 O ATOM 1745 CB THR A1029 0.163 9.567 -3.025 1.00 0.00 C ATOM 1746 OG1 THR A1029 -0.839 10.305 -3.737 1.00 0.00 O ATOM 1747 CG2 THR A1029 1.453 10.375 -2.981 1.00 0.00 C ATOM 0 H THR A1029 -1.610 7.805 -3.176 1.00 0.00 H new ATOM 0 HA THR A1029 0.727 8.372 -4.721 1.00 0.00 H new ATOM 0 HB THR A1029 -0.163 9.388 -2.000 1.00 0.00 H new ATOM 0 HG1 THR A1029 -0.976 11.173 -3.303 1.00 0.00 H new ATOM 0 HG21 THR A1029 1.266 11.333 -2.497 1.00 0.00 H new ATOM 0 HG22 THR A1029 2.208 9.825 -2.418 1.00 0.00 H new ATOM 0 HG23 THR A1029 1.810 10.545 -3.997 1.00 0.00 H new ATOM 1755 N ALA A1030 0.993 6.679 -1.920 1.00 0.00 N ATOM 1756 CA ALA A1030 1.872 5.797 -1.171 1.00 0.00 C ATOM 1757 C ALA A1030 2.501 4.771 -2.105 1.00 0.00 C ATOM 1758 O ALA A1030 3.701 4.514 -2.045 1.00 0.00 O ATOM 1759 CB ALA A1030 1.100 5.108 -0.056 1.00 0.00 C ATOM 0 H ALA A1030 0.026 6.684 -1.596 1.00 0.00 H new ATOM 0 HA ALA A1030 2.669 6.389 -0.720 1.00 0.00 H new ATOM 0 HB1 ALA A1030 1.770 4.450 0.498 1.00 0.00 H new ATOM 0 HB2 ALA A1030 0.689 5.858 0.619 1.00 0.00 H new ATOM 0 HB3 ALA A1030 0.288 4.521 -0.485 1.00 0.00 H new ATOM 1765 N LEU A1031 1.675 4.207 -2.981 1.00 0.00 N ATOM 1766 CA LEU A1031 2.145 3.279 -4.000 1.00 0.00 C ATOM 1767 C LEU A1031 3.008 4.003 -5.026 1.00 0.00 C ATOM 1768 O LEU A1031 3.988 3.456 -5.524 1.00 0.00 O ATOM 1769 CB LEU A1031 0.958 2.631 -4.715 1.00 0.00 C ATOM 1770 CG LEU A1031 0.031 1.802 -3.828 1.00 0.00 C ATOM 1771 CD1 LEU A1031 -1.196 1.365 -4.611 1.00 0.00 C ATOM 1772 CD2 LEU A1031 0.767 0.593 -3.278 1.00 0.00 C ATOM 0 H LEU A1031 0.670 4.379 -3.004 1.00 0.00 H new ATOM 0 HA LEU A1031 2.740 2.510 -3.507 1.00 0.00 H new ATOM 0 HB2 LEU A1031 0.371 3.416 -5.192 1.00 0.00 H new ATOM 0 HB3 LEU A1031 1.340 1.991 -5.510 1.00 0.00 H new ATOM 0 HG LEU A1031 -0.293 2.420 -2.990 1.00 0.00 H new ATOM 0 HD11 LEU A1031 -1.848 0.775 -3.967 1.00 0.00 H new ATOM 0 HD12 LEU A1031 -1.734 2.244 -4.964 1.00 0.00 H new ATOM 0 HD13 LEU A1031 -0.887 0.762 -5.465 1.00 0.00 H new ATOM 0 HD21 LEU A1031 0.093 0.012 -2.648 1.00 0.00 H new ATOM 0 HD22 LEU A1031 1.116 -0.027 -4.104 1.00 0.00 H new ATOM 0 HD23 LEU A1031 1.621 0.925 -2.687 1.00 0.00 H new ATOM 1784 N ALA A1032 2.627 5.238 -5.329 1.00 0.00 N ATOM 1785 CA ALA A1032 3.303 6.043 -6.339 1.00 0.00 C ATOM 1786 C ALA A1032 4.791 6.193 -6.043 1.00 0.00 C ATOM 1787 O ALA A1032 5.634 5.741 -6.823 1.00 0.00 O ATOM 1788 CB ALA A1032 2.644 7.411 -6.440 1.00 0.00 C ATOM 0 H ALA A1032 1.841 5.710 -4.882 1.00 0.00 H new ATOM 0 HA ALA A1032 3.211 5.525 -7.294 1.00 0.00 H new ATOM 0 HB1 ALA A1032 3.155 8.006 -7.197 1.00 0.00 H new ATOM 0 HB2 ALA A1032 1.597 7.291 -6.719 1.00 0.00 H new ATOM 0 HB3 ALA A1032 2.707 7.917 -5.477 1.00 0.00 H new ATOM 1794 N GLU A1033 5.113 6.804 -4.910 1.00 0.00 N ATOM 1795 CA GLU A1033 6.504 7.063 -4.562 1.00 0.00 C ATOM 1796 C GLU A1033 7.247 5.761 -4.270 1.00 0.00 C ATOM 1797 O GLU A1033 8.448 5.659 -4.515 1.00 0.00 O ATOM 1798 CB GLU A1033 6.606 8.023 -3.372 1.00 0.00 C ATOM 1799 CG GLU A1033 5.924 7.526 -2.112 1.00 0.00 C ATOM 1800 CD GLU A1033 6.170 8.439 -0.930 1.00 0.00 C ATOM 1801 OE1 GLU A1033 7.259 8.351 -0.328 1.00 0.00 O ATOM 1802 OE2 GLU A1033 5.277 9.245 -0.593 1.00 0.00 O ATOM 0 H GLU A1033 4.435 7.128 -4.220 1.00 0.00 H new ATOM 0 HA GLU A1033 6.977 7.539 -5.421 1.00 0.00 H new ATOM 0 HB2 GLU A1033 7.659 8.204 -3.155 1.00 0.00 H new ATOM 0 HB3 GLU A1033 6.170 8.981 -3.654 1.00 0.00 H new ATOM 0 HG2 GLU A1033 4.852 7.445 -2.289 1.00 0.00 H new ATOM 0 HG3 GLU A1033 6.285 6.525 -1.877 1.00 0.00 H new ATOM 1809 N LEU A1034 6.520 4.766 -3.768 1.00 0.00 N ATOM 1810 CA LEU A1034 7.090 3.450 -3.500 1.00 0.00 C ATOM 1811 C LEU A1034 7.521 2.787 -4.805 1.00 0.00 C ATOM 1812 O LEU A1034 8.633 2.273 -4.920 1.00 0.00 O ATOM 1813 CB LEU A1034 6.065 2.570 -2.777 1.00 0.00 C ATOM 1814 CG LEU A1034 6.557 1.180 -2.369 1.00 0.00 C ATOM 1815 CD1 LEU A1034 7.670 1.287 -1.340 1.00 0.00 C ATOM 1816 CD2 LEU A1034 5.407 0.347 -1.828 1.00 0.00 C ATOM 0 H LEU A1034 5.530 4.848 -3.538 1.00 0.00 H new ATOM 0 HA LEU A1034 7.965 3.570 -2.861 1.00 0.00 H new ATOM 0 HB2 LEU A1034 5.730 3.094 -1.882 1.00 0.00 H new ATOM 0 HB3 LEU A1034 5.194 2.453 -3.422 1.00 0.00 H new ATOM 0 HG LEU A1034 6.956 0.683 -3.253 1.00 0.00 H new ATOM 0 HD11 LEU A1034 8.006 0.288 -1.063 1.00 0.00 H new ATOM 0 HD12 LEU A1034 8.504 1.846 -1.763 1.00 0.00 H new ATOM 0 HD13 LEU A1034 7.299 1.804 -0.455 1.00 0.00 H new ATOM 0 HD21 LEU A1034 5.774 -0.639 -1.543 1.00 0.00 H new ATOM 0 HD22 LEU A1034 4.979 0.841 -0.956 1.00 0.00 H new ATOM 0 HD23 LEU A1034 4.642 0.240 -2.597 1.00 0.00 H new ATOM 1828 N ARG A1035 6.629 2.825 -5.788 1.00 0.00 N ATOM 1829 CA ARG A1035 6.891 2.261 -7.107 1.00 0.00 C ATOM 1830 C ARG A1035 8.119 2.912 -7.730 1.00 0.00 C ATOM 1831 O ARG A1035 9.015 2.230 -8.231 1.00 0.00 O ATOM 1832 CB ARG A1035 5.671 2.482 -8.006 1.00 0.00 C ATOM 1833 CG ARG A1035 5.763 1.810 -9.366 1.00 0.00 C ATOM 1834 CD ARG A1035 4.612 2.230 -10.271 1.00 0.00 C ATOM 1835 NE ARG A1035 3.325 2.231 -9.569 1.00 0.00 N ATOM 1836 CZ ARG A1035 2.366 1.324 -9.758 1.00 0.00 C ATOM 1837 NH1 ARG A1035 2.558 0.308 -10.590 1.00 0.00 N ATOM 1838 NH2 ARG A1035 1.211 1.439 -9.116 1.00 0.00 N ATOM 0 H ARG A1035 5.705 3.247 -5.694 1.00 0.00 H new ATOM 0 HA ARG A1035 7.081 1.192 -7.005 1.00 0.00 H new ATOM 0 HB2 ARG A1035 4.784 2.113 -7.491 1.00 0.00 H new ATOM 0 HB3 ARG A1035 5.532 3.553 -8.152 1.00 0.00 H new ATOM 0 HG2 ARG A1035 6.711 2.067 -9.838 1.00 0.00 H new ATOM 0 HG3 ARG A1035 5.753 0.727 -9.240 1.00 0.00 H new ATOM 0 HD2 ARG A1035 4.809 3.227 -10.666 1.00 0.00 H new ATOM 0 HD3 ARG A1035 4.558 1.554 -11.124 1.00 0.00 H new ATOM 0 HE ARG A1035 3.152 2.974 -8.892 1.00 0.00 H new ATOM 0 HH11 ARG A1035 3.443 0.218 -11.089 1.00 0.00 H new ATOM 0 HH12 ARG A1035 1.821 -0.383 -10.730 1.00 0.00 H new ATOM 0 HH21 ARG A1035 1.057 2.220 -8.479 1.00 0.00 H new ATOM 0 HH22 ARG A1035 0.476 0.746 -9.260 1.00 0.00 H new ATOM 1852 N THR A1036 8.153 4.238 -7.682 1.00 0.00 N ATOM 1853 CA THR A1036 9.251 5.007 -8.247 1.00 0.00 C ATOM 1854 C THR A1036 10.565 4.725 -7.517 1.00 0.00 C ATOM 1855 O THR A1036 11.607 4.537 -8.149 1.00 0.00 O ATOM 1856 CB THR A1036 8.938 6.511 -8.188 1.00 0.00 C ATOM 1857 OG1 THR A1036 7.670 6.763 -8.812 1.00 0.00 O ATOM 1858 CG2 THR A1036 10.021 7.325 -8.882 1.00 0.00 C ATOM 0 H THR A1036 7.423 4.807 -7.252 1.00 0.00 H new ATOM 0 HA THR A1036 9.365 4.702 -9.287 1.00 0.00 H new ATOM 0 HB THR A1036 8.902 6.813 -7.141 1.00 0.00 H new ATOM 0 HG1 THR A1036 6.948 6.484 -8.211 1.00 0.00 H new ATOM 0 HG21 THR A1036 9.773 8.385 -8.824 1.00 0.00 H new ATOM 0 HG22 THR A1036 10.979 7.149 -8.392 1.00 0.00 H new ATOM 0 HG23 THR A1036 10.088 7.024 -9.928 1.00 0.00 H new ATOM 1866 N ALA A1037 10.510 4.685 -6.189 1.00 0.00 N ATOM 1867 CA ALA A1037 11.700 4.437 -5.387 1.00 0.00 C ATOM 1868 C ALA A1037 12.253 3.043 -5.652 1.00 0.00 C ATOM 1869 O ALA A1037 13.463 2.864 -5.783 1.00 0.00 O ATOM 1870 CB ALA A1037 11.396 4.623 -3.907 1.00 0.00 C ATOM 0 H ALA A1037 9.656 4.821 -5.648 1.00 0.00 H new ATOM 0 HA ALA A1037 12.461 5.162 -5.675 1.00 0.00 H new ATOM 0 HB1 ALA A1037 12.297 4.433 -3.324 1.00 0.00 H new ATOM 0 HB2 ALA A1037 11.058 5.644 -3.731 1.00 0.00 H new ATOM 0 HB3 ALA A1037 10.615 3.925 -3.605 1.00 0.00 H new ATOM 1876 N ALA A1038 11.359 2.062 -5.750 1.00 0.00 N ATOM 1877 CA ALA A1038 11.756 0.685 -6.022 1.00 0.00 C ATOM 1878 C ALA A1038 12.419 0.573 -7.385 1.00 0.00 C ATOM 1879 O ALA A1038 13.403 -0.151 -7.552 1.00 0.00 O ATOM 1880 CB ALA A1038 10.553 -0.242 -5.939 1.00 0.00 C ATOM 0 H ALA A1038 10.353 2.197 -5.645 1.00 0.00 H new ATOM 0 HA ALA A1038 12.480 0.384 -5.265 1.00 0.00 H new ATOM 0 HB1 ALA A1038 10.867 -1.265 -6.145 1.00 0.00 H new ATOM 0 HB2 ALA A1038 10.121 -0.189 -4.940 1.00 0.00 H new ATOM 0 HB3 ALA A1038 9.807 0.063 -6.673 1.00 0.00 H new ATOM 1886 N GLN A1039 11.879 1.303 -8.352 1.00 0.00 N ATOM 1887 CA GLN A1039 12.416 1.315 -9.705 1.00 0.00 C ATOM 1888 C GLN A1039 13.853 1.828 -9.695 1.00 0.00 C ATOM 1889 O GLN A1039 14.750 1.212 -10.271 1.00 0.00 O ATOM 1890 CB GLN A1039 11.538 2.194 -10.602 1.00 0.00 C ATOM 1891 CG GLN A1039 11.895 2.136 -12.079 1.00 0.00 C ATOM 1892 CD GLN A1039 11.754 0.744 -12.664 1.00 0.00 C ATOM 1893 OE1 GLN A1039 12.711 -0.031 -12.695 1.00 0.00 O ATOM 1894 NE2 GLN A1039 10.554 0.411 -13.112 1.00 0.00 N ATOM 0 H GLN A1039 11.062 1.899 -8.222 1.00 0.00 H new ATOM 0 HA GLN A1039 12.416 0.299 -10.100 1.00 0.00 H new ATOM 0 HB2 GLN A1039 10.498 1.892 -10.480 1.00 0.00 H new ATOM 0 HB3 GLN A1039 11.612 3.227 -10.263 1.00 0.00 H new ATOM 0 HG2 GLN A1039 11.253 2.823 -12.630 1.00 0.00 H new ATOM 0 HG3 GLN A1039 12.921 2.480 -12.214 1.00 0.00 H new ATOM 0 HE21 GLN A1039 9.788 1.083 -13.068 1.00 0.00 H new ATOM 0 HE22 GLN A1039 10.395 -0.518 -13.502 1.00 0.00 H new ATOM 1903 N LYS A1040 14.062 2.944 -9.006 1.00 0.00 N ATOM 1904 CA LYS A1040 15.381 3.561 -8.918 1.00 0.00 C ATOM 1905 C LYS A1040 16.341 2.701 -8.096 1.00 0.00 C ATOM 1906 O LYS A1040 17.478 2.464 -8.504 1.00 0.00 O ATOM 1907 CB LYS A1040 15.278 4.955 -8.291 1.00 0.00 C ATOM 1908 CG LYS A1040 14.452 5.942 -9.101 1.00 0.00 C ATOM 1909 CD LYS A1040 14.382 7.298 -8.414 1.00 0.00 C ATOM 1910 CE LYS A1040 13.560 8.299 -9.214 1.00 0.00 C ATOM 1911 NZ LYS A1040 14.182 8.622 -10.525 1.00 0.00 N ATOM 0 H LYS A1040 13.331 3.442 -8.498 1.00 0.00 H new ATOM 0 HA LYS A1040 15.773 3.647 -9.931 1.00 0.00 H new ATOM 0 HB2 LYS A1040 14.841 4.863 -7.297 1.00 0.00 H new ATOM 0 HB3 LYS A1040 16.282 5.358 -8.162 1.00 0.00 H new ATOM 0 HG2 LYS A1040 14.888 6.057 -10.093 1.00 0.00 H new ATOM 0 HG3 LYS A1040 13.445 5.549 -9.239 1.00 0.00 H new ATOM 0 HD2 LYS A1040 13.945 7.180 -7.422 1.00 0.00 H new ATOM 0 HD3 LYS A1040 15.391 7.686 -8.274 1.00 0.00 H new ATOM 0 HE2 LYS A1040 12.561 7.896 -9.378 1.00 0.00 H new ATOM 0 HE3 LYS A1040 13.443 9.215 -8.635 1.00 0.00 H new ATOM 0 HZ1 LYS A1040 13.683 9.426 -10.957 1.00 0.00 H new ATOM 0 HZ2 LYS A1040 15.182 8.871 -10.383 1.00 0.00 H new ATOM 0 HZ3 LYS A1040 14.117 7.796 -11.153 1.00 0.00 H new ATOM 1925 N ALA A1041 15.873 2.231 -6.947 1.00 0.00 N ATOM 1926 CA ALA A1041 16.716 1.492 -6.013 1.00 0.00 C ATOM 1927 C ALA A1041 17.188 0.166 -6.591 1.00 0.00 C ATOM 1928 O ALA A1041 18.318 -0.256 -6.348 1.00 0.00 O ATOM 1929 CB ALA A1041 15.972 1.245 -4.714 1.00 0.00 C ATOM 0 H ALA A1041 14.908 2.349 -6.637 1.00 0.00 H new ATOM 0 HA ALA A1041 17.597 2.105 -5.823 1.00 0.00 H new ATOM 0 HB1 ALA A1041 16.613 0.693 -4.027 1.00 0.00 H new ATOM 0 HB2 ALA A1041 15.696 2.199 -4.265 1.00 0.00 H new ATOM 0 HB3 ALA A1041 15.071 0.665 -4.915 1.00 0.00 H new ATOM 1935 N GLN A1042 16.326 -0.487 -7.358 1.00 0.00 N ATOM 1936 CA GLN A1042 16.638 -1.801 -7.903 1.00 0.00 C ATOM 1937 C GLN A1042 17.745 -1.712 -8.957 1.00 0.00 C ATOM 1938 O GLN A1042 18.436 -2.696 -9.229 1.00 0.00 O ATOM 1939 CB GLN A1042 15.377 -2.443 -8.485 1.00 0.00 C ATOM 1940 CG GLN A1042 15.586 -3.863 -8.977 1.00 0.00 C ATOM 1941 CD GLN A1042 14.296 -4.532 -9.407 1.00 0.00 C ATOM 1942 OE1 GLN A1042 13.349 -3.872 -9.835 1.00 0.00 O ATOM 1943 NE2 GLN A1042 14.255 -5.849 -9.315 1.00 0.00 N ATOM 0 H GLN A1042 15.407 -0.129 -7.617 1.00 0.00 H new ATOM 0 HA GLN A1042 17.006 -2.431 -7.093 1.00 0.00 H new ATOM 0 HB2 GLN A1042 14.596 -2.443 -7.725 1.00 0.00 H new ATOM 0 HB3 GLN A1042 15.017 -1.831 -9.312 1.00 0.00 H new ATOM 0 HG2 GLN A1042 16.282 -3.853 -9.816 1.00 0.00 H new ATOM 0 HG3 GLN A1042 16.049 -4.452 -8.186 1.00 0.00 H new ATOM 0 HE21 GLN A1042 15.061 -6.360 -8.955 1.00 0.00 H new ATOM 0 HE22 GLN A1042 13.418 -6.355 -9.604 1.00 0.00 H new ATOM 1952 N GLU A1043 17.927 -0.531 -9.535 1.00 0.00 N ATOM 1953 CA GLU A1043 18.985 -0.323 -10.517 1.00 0.00 C ATOM 1954 C GLU A1043 20.118 0.514 -9.927 1.00 0.00 C ATOM 1955 O GLU A1043 20.999 0.989 -10.649 1.00 0.00 O ATOM 1956 CB GLU A1043 18.431 0.339 -11.785 1.00 0.00 C ATOM 1957 CG GLU A1043 17.688 1.640 -11.540 1.00 0.00 C ATOM 1958 CD GLU A1043 17.185 2.270 -12.823 1.00 0.00 C ATOM 1959 OE1 GLU A1043 16.364 1.637 -13.522 1.00 0.00 O ATOM 1960 OE2 GLU A1043 17.600 3.404 -13.139 1.00 0.00 O ATOM 0 H GLU A1043 17.359 0.294 -9.342 1.00 0.00 H new ATOM 0 HA GLU A1043 19.387 -1.299 -10.789 1.00 0.00 H new ATOM 0 HB2 GLU A1043 19.256 0.530 -12.471 1.00 0.00 H new ATOM 0 HB3 GLU A1043 17.759 -0.361 -12.282 1.00 0.00 H new ATOM 0 HG2 GLU A1043 16.845 1.454 -10.875 1.00 0.00 H new ATOM 0 HG3 GLU A1043 18.348 2.341 -11.029 1.00 0.00 H new ATOM 1967 N ALA A1044 20.102 0.678 -8.613 1.00 0.00 N ATOM 1968 CA ALA A1044 21.130 1.442 -7.925 1.00 0.00 C ATOM 1969 C ALA A1044 22.105 0.511 -7.217 1.00 0.00 C ATOM 1970 O ALA A1044 21.829 0.116 -6.067 1.00 0.00 O ATOM 1971 CB ALA A1044 20.503 2.412 -6.935 1.00 0.00 C ATOM 1972 OXT ALA A1044 23.144 0.167 -7.820 1.00 0.00 O ATOM 0 H ALA A1044 19.385 0.290 -8.000 1.00 0.00 H new ATOM 0 HA ALA A1044 21.683 2.018 -8.667 1.00 0.00 H new ATOM 0 HB1 ALA A1044 21.288 2.975 -6.430 1.00 0.00 H new ATOM 0 HB2 ALA A1044 19.847 3.101 -7.467 1.00 0.00 H new ATOM 0 HB3 ALA A1044 19.924 1.856 -6.198 1.00 0.00 H new TER 1978 ALA A1044