USER MOD reduce.3.24.130724 H: found=0, std=0, add=1002, rem=0, adj=31 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 937 HIS : no HD1:sc= 0 X(o=1.2,f=1.2) USER MOD Set 1.2: A1016 SER OG : rot 58:sc= 1.24 USER MOD Set 2.1: A 976 GLN : amide:sc= 0 X(o=-0.9,f=-0.58) USER MOD Set 2.2: A 979 SER OG : rot -120:sc= -0.902 USER MOD Set 3.1: A 930 GLN : amide:sc= -0.652 K(o=-0.66,f=-2.6!) USER MOD Set 3.2: A1026 ASN : amide:sc=-0.00372 K(o=-0.66,f=-1.7) USER MOD Single : A 912 THR OG1 : rot 180:sc= -0.615 USER MOD Single : A 915 GLN : amide:sc= -0.167 K(o=-0.17,f=-0.79) USER MOD Single : A 919 HIS :FLIP no HE2:sc= 0.00915 F(o=-0.78,f=0.0091) USER MOD Single : A 922 LYS NZ :NH3+ 154:sc= -0.0376 (180deg=-0.41) USER MOD Single : A 923 GLN : amide:sc= -1.56! X(o=-1.6!,f=-1.7) USER MOD Single : A 927 SER OG : rot 78:sc= 1.27 USER MOD Single : A 929 THR OG1 : rot 68:sc= 1.18 USER MOD Single : A 931 THR OG1 : rot 72:sc= 0.285 USER MOD Single : A 936 GLN :FLIP amide:sc= -0.574 F(o=-1.4!,f=-0.57) USER MOD Single : A 940 SER OG : rot 180:sc= 0 USER MOD Single : A 943 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 945 SER OG : rot 180:sc= 0 USER MOD Single : A 949 GLN : amide:sc= 0.123 X(o=0.12,f=-0.27) USER MOD Single : A 954 GLN : amide:sc= -1.5 X(o=-1.5,f=-1.4) USER MOD Single : A 955 SER OG : rot -2:sc= 0.819 USER MOD Single : A 956 CYS SG : rot -15:sc= -0.938 USER MOD Single : A 957 LYS NZ :NH3+ 169:sc= -0.0043 (180deg=-0.161) USER MOD Single : A 962 GLN : amide:sc= -2.28 K(o=-2.3,f=-8.2!) USER MOD Single : A 968 GLN : amide:sc= 0 K(o=0,f=-0.8) USER MOD Single : A 973 SER OG : rot -88:sc= -0.442! USER MOD Single : A 974 GLN :FLIP amide:sc= -0.013 F(o=-1.4!,f=-0.013) USER MOD Single : A 981 SER OG : rot 180:sc= 0 USER MOD Single : A 983 GLN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 990 SER OG : rot 86:sc= 1.27 USER MOD Single : A 991 GLN : amide:sc= 0 K(o=0,f=-0.73) USER MOD Single : A 992 SER OG : rot 109:sc= 1.24 USER MOD Single : A 995 GLN : amide:sc= -0.571 X(o=-0.57,f=-0.22) USER MOD Single : A 999 LYS NZ :NH3+ 131:sc= -1.04 (180deg=-1.33) USER MOD Single : A1000 MET CE :methyl 149:sc= -1.19 (180deg=-3.31!) USER MOD Single : A1005 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A1007 SER OG : rot 85:sc= 1.3 USER MOD Single : A1010 THR OG1 : rot 4:sc= 0.609 USER MOD Single : A1012 GLN : amide:sc= 0.557 K(o=0.56,f=-7.1!) USER MOD Single : A1014 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A1018 MET CE :methyl 142:sc= -0.192 (180deg=-0.942) USER MOD Single : A1019 GLN : amide:sc= -0.14 K(o=-0.14,f=-0.85) USER MOD Single : A1021 SER OG : rot 180:sc= 0 USER MOD Single : A1022 GLN : amide:sc= -0.523 K(o=-0.52,f=-5.1!) USER MOD Single : A1023 CYS SG : rot 1:sc= -6.38! USER MOD Single : A1025 LYS NZ :NH3+ -169:sc= -0.0138 (180deg=-0.182) USER MOD Single : A1029 THR OG1 : rot 74:sc= 1.21 USER MOD Single : A1036 THR OG1 : rot 69:sc= 1.26 USER MOD Single : A1039 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A1040 LYS NZ :NH3+ 164:sc= 0 (180deg=-0.189) USER MOD Single : A1042 GLN :FLIP amide:sc= -0.6 F(o=-2.3!,f=-0.6) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 907 18.133 20.175 -5.253 1.00 0.00 N ATOM 2 CA GLY A 907 17.337 18.932 -5.407 1.00 0.00 C ATOM 3 C GLY A 907 18.001 17.746 -4.742 1.00 0.00 C ATOM 4 O GLY A 907 18.030 16.648 -5.298 1.00 0.00 O ATOM 0 HA2 GLY A 907 16.346 19.081 -4.977 1.00 0.00 H new ATOM 0 HA3 GLY A 907 17.196 18.721 -6.467 1.00 0.00 H new ATOM 10 N ILE A 908 18.541 17.962 -3.550 1.00 0.00 N ATOM 11 CA ILE A 908 19.208 16.901 -2.814 1.00 0.00 C ATOM 12 C ILE A 908 18.243 16.256 -1.826 1.00 0.00 C ATOM 13 O ILE A 908 17.818 16.887 -0.858 1.00 0.00 O ATOM 14 CB ILE A 908 20.443 17.429 -2.049 1.00 0.00 C ATOM 15 CG1 ILE A 908 21.419 18.103 -3.019 1.00 0.00 C ATOM 16 CG2 ILE A 908 21.130 16.294 -1.302 1.00 0.00 C ATOM 17 CD1 ILE A 908 22.614 18.735 -2.338 1.00 0.00 C ATOM 0 H ILE A 908 18.529 18.864 -3.073 1.00 0.00 H new ATOM 0 HA ILE A 908 19.543 16.161 -3.541 1.00 0.00 H new ATOM 0 HB ILE A 908 20.112 18.169 -1.320 1.00 0.00 H new ATOM 0 HG12 ILE A 908 21.771 17.364 -3.739 1.00 0.00 H new ATOM 0 HG13 ILE A 908 20.886 18.869 -3.583 1.00 0.00 H new ATOM 0 HG21 ILE A 908 21.998 16.682 -0.768 1.00 0.00 H new ATOM 0 HG22 ILE A 908 20.433 15.853 -0.589 1.00 0.00 H new ATOM 0 HG23 ILE A 908 21.452 15.533 -2.013 1.00 0.00 H new ATOM 0 HD11 ILE A 908 23.260 19.192 -3.087 1.00 0.00 H new ATOM 0 HD12 ILE A 908 22.273 19.498 -1.639 1.00 0.00 H new ATOM 0 HD13 ILE A 908 23.171 17.970 -1.797 1.00 0.00 H new ATOM 29 N ASP A 909 17.873 15.014 -2.092 1.00 0.00 N ATOM 30 CA ASP A 909 16.991 14.277 -1.196 1.00 0.00 C ATOM 31 C ASP A 909 17.789 13.698 -0.038 1.00 0.00 C ATOM 32 O ASP A 909 18.874 13.154 -0.237 1.00 0.00 O ATOM 33 CB ASP A 909 16.265 13.147 -1.937 1.00 0.00 C ATOM 34 CG ASP A 909 15.198 13.653 -2.888 1.00 0.00 C ATOM 35 OD1 ASP A 909 15.531 13.977 -4.046 1.00 0.00 O ATOM 36 OD2 ASP A 909 14.022 13.740 -2.478 1.00 0.00 O ATOM 0 H ASP A 909 18.168 14.494 -2.919 1.00 0.00 H new ATOM 0 HA ASP A 909 16.244 14.973 -0.813 1.00 0.00 H new ATOM 0 HB2 ASP A 909 16.993 12.560 -2.496 1.00 0.00 H new ATOM 0 HB3 ASP A 909 15.807 12.478 -1.209 1.00 0.00 H new ATOM 41 N PRO A 910 17.267 13.814 1.191 1.00 0.00 N ATOM 42 CA PRO A 910 17.914 13.257 2.380 1.00 0.00 C ATOM 43 C PRO A 910 17.684 11.756 2.513 1.00 0.00 C ATOM 44 O PRO A 910 17.979 11.153 3.546 1.00 0.00 O ATOM 45 CB PRO A 910 17.241 14.012 3.525 1.00 0.00 C ATOM 46 CG PRO A 910 15.877 14.331 3.014 1.00 0.00 C ATOM 47 CD PRO A 910 16.014 14.520 1.524 1.00 0.00 C ATOM 0 HA PRO A 910 18.998 13.372 2.354 1.00 0.00 H new ATOM 0 HB2 PRO A 910 17.194 13.403 4.428 1.00 0.00 H new ATOM 0 HB3 PRO A 910 17.791 14.918 3.780 1.00 0.00 H new ATOM 0 HG2 PRO A 910 15.179 13.525 3.241 1.00 0.00 H new ATOM 0 HG3 PRO A 910 15.487 15.233 3.486 1.00 0.00 H new ATOM 0 HD2 PRO A 910 15.163 14.099 0.988 1.00 0.00 H new ATOM 0 HD3 PRO A 910 16.067 15.576 1.258 1.00 0.00 H new ATOM 55 N PHE A 911 17.160 11.160 1.458 1.00 0.00 N ATOM 56 CA PHE A 911 16.889 9.741 1.425 1.00 0.00 C ATOM 57 C PHE A 911 17.579 9.101 0.231 1.00 0.00 C ATOM 58 O PHE A 911 17.438 9.574 -0.895 1.00 0.00 O ATOM 59 CB PHE A 911 15.385 9.494 1.328 1.00 0.00 C ATOM 60 CG PHE A 911 14.604 9.989 2.512 1.00 0.00 C ATOM 61 CD1 PHE A 911 14.621 9.292 3.708 1.00 0.00 C ATOM 62 CD2 PHE A 911 13.853 11.149 2.424 1.00 0.00 C ATOM 63 CE1 PHE A 911 13.905 9.746 4.797 1.00 0.00 C ATOM 64 CE2 PHE A 911 13.135 11.606 3.511 1.00 0.00 C ATOM 65 CZ PHE A 911 13.160 10.904 4.700 1.00 0.00 C ATOM 0 H PHE A 911 16.911 11.651 0.599 1.00 0.00 H new ATOM 0 HA PHE A 911 17.271 9.297 2.344 1.00 0.00 H new ATOM 0 HB2 PHE A 911 15.006 9.978 0.428 1.00 0.00 H new ATOM 0 HB3 PHE A 911 15.210 8.424 1.213 1.00 0.00 H new ATOM 0 HD1 PHE A 911 15.200 8.384 3.790 1.00 0.00 H new ATOM 0 HD2 PHE A 911 13.829 11.701 1.496 1.00 0.00 H new ATOM 0 HE1 PHE A 911 13.928 9.195 5.726 1.00 0.00 H new ATOM 0 HE2 PHE A 911 12.554 12.513 3.431 1.00 0.00 H new ATOM 0 HZ PHE A 911 12.599 11.260 5.551 1.00 0.00 H new ATOM 75 N THR A 912 18.333 8.042 0.479 1.00 0.00 N ATOM 76 CA THR A 912 18.918 7.259 -0.594 1.00 0.00 C ATOM 77 C THR A 912 17.867 6.327 -1.198 1.00 0.00 C ATOM 78 O THR A 912 16.690 6.384 -0.821 1.00 0.00 O ATOM 79 CB THR A 912 20.120 6.434 -0.092 1.00 0.00 C ATOM 80 OG1 THR A 912 19.739 5.653 1.047 1.00 0.00 O ATOM 81 CG2 THR A 912 21.284 7.341 0.275 1.00 0.00 C ATOM 0 H THR A 912 18.554 7.706 1.416 1.00 0.00 H new ATOM 0 HA THR A 912 19.273 7.950 -1.359 1.00 0.00 H new ATOM 0 HB THR A 912 20.437 5.770 -0.896 1.00 0.00 H new ATOM 0 HG1 THR A 912 20.508 5.131 1.358 1.00 0.00 H new ATOM 0 HG21 THR A 912 22.120 6.736 0.626 1.00 0.00 H new ATOM 0 HG22 THR A 912 21.592 7.911 -0.602 1.00 0.00 H new ATOM 0 HG23 THR A 912 20.976 8.027 1.064 1.00 0.00 H new ATOM 89 N LEU A 913 18.285 5.477 -2.129 1.00 0.00 N ATOM 90 CA LEU A 913 17.374 4.548 -2.786 1.00 0.00 C ATOM 91 C LEU A 913 16.686 3.640 -1.770 1.00 0.00 C ATOM 92 O LEU A 913 15.479 3.411 -1.850 1.00 0.00 O ATOM 93 CB LEU A 913 18.124 3.702 -3.821 1.00 0.00 C ATOM 94 CG LEU A 913 18.748 4.487 -4.978 1.00 0.00 C ATOM 95 CD1 LEU A 913 19.500 3.552 -5.914 1.00 0.00 C ATOM 96 CD2 LEU A 913 17.680 5.258 -5.739 1.00 0.00 C ATOM 0 H LEU A 913 19.252 5.412 -2.446 1.00 0.00 H new ATOM 0 HA LEU A 913 16.609 5.135 -3.294 1.00 0.00 H new ATOM 0 HB2 LEU A 913 18.913 3.149 -3.311 1.00 0.00 H new ATOM 0 HB3 LEU A 913 17.434 2.966 -4.233 1.00 0.00 H new ATOM 0 HG LEU A 913 19.458 5.203 -4.563 1.00 0.00 H new ATOM 0 HD11 LEU A 913 19.937 4.128 -6.730 1.00 0.00 H new ATOM 0 HD12 LEU A 913 20.292 3.045 -5.363 1.00 0.00 H new ATOM 0 HD13 LEU A 913 18.810 2.812 -6.320 1.00 0.00 H new ATOM 0 HD21 LEU A 913 18.143 5.810 -6.557 1.00 0.00 H new ATOM 0 HD22 LEU A 913 16.945 4.561 -6.141 1.00 0.00 H new ATOM 0 HD23 LEU A 913 17.186 5.957 -5.064 1.00 0.00 H new ATOM 108 N VAL A 914 17.447 3.139 -0.807 1.00 0.00 N ATOM 109 CA VAL A 914 16.882 2.255 0.205 1.00 0.00 C ATOM 110 C VAL A 914 16.142 3.046 1.284 1.00 0.00 C ATOM 111 O VAL A 914 15.116 2.597 1.791 1.00 0.00 O ATOM 112 CB VAL A 914 17.951 1.348 0.856 1.00 0.00 C ATOM 113 CG1 VAL A 914 18.662 0.521 -0.200 1.00 0.00 C ATOM 114 CG2 VAL A 914 18.954 2.158 1.661 1.00 0.00 C ATOM 0 H VAL A 914 18.445 3.326 -0.704 1.00 0.00 H new ATOM 0 HA VAL A 914 16.170 1.612 -0.313 1.00 0.00 H new ATOM 0 HB VAL A 914 17.440 0.675 1.544 1.00 0.00 H new ATOM 0 HG11 VAL A 914 19.411 -0.111 0.277 1.00 0.00 H new ATOM 0 HG12 VAL A 914 17.937 -0.105 -0.721 1.00 0.00 H new ATOM 0 HG13 VAL A 914 19.149 1.184 -0.915 1.00 0.00 H new ATOM 0 HG21 VAL A 914 19.691 1.488 2.104 1.00 0.00 H new ATOM 0 HG22 VAL A 914 19.458 2.868 1.006 1.00 0.00 H new ATOM 0 HG23 VAL A 914 18.434 2.699 2.451 1.00 0.00 H new ATOM 124 N GLN A 915 16.640 4.240 1.606 1.00 0.00 N ATOM 125 CA GLN A 915 16.017 5.073 2.633 1.00 0.00 C ATOM 126 C GLN A 915 14.602 5.466 2.234 1.00 0.00 C ATOM 127 O GLN A 915 13.683 5.426 3.051 1.00 0.00 O ATOM 128 CB GLN A 915 16.845 6.329 2.903 1.00 0.00 C ATOM 129 CG GLN A 915 18.127 6.063 3.673 1.00 0.00 C ATOM 130 CD GLN A 915 17.871 5.497 5.055 1.00 0.00 C ATOM 131 OE1 GLN A 915 16.852 5.785 5.683 1.00 0.00 O ATOM 132 NE2 GLN A 915 18.798 4.690 5.538 1.00 0.00 N ATOM 0 H GLN A 915 17.468 4.650 1.173 1.00 0.00 H new ATOM 0 HA GLN A 915 15.973 4.481 3.547 1.00 0.00 H new ATOM 0 HB2 GLN A 915 17.094 6.800 1.952 1.00 0.00 H new ATOM 0 HB3 GLN A 915 16.237 7.041 3.462 1.00 0.00 H new ATOM 0 HG2 GLN A 915 18.747 5.367 3.109 1.00 0.00 H new ATOM 0 HG3 GLN A 915 18.691 6.991 3.764 1.00 0.00 H new ATOM 0 HE21 GLN A 915 19.628 4.477 4.984 1.00 0.00 H new ATOM 0 HE22 GLN A 915 18.684 4.279 6.465 1.00 0.00 H new ATOM 141 N ARG A 916 14.420 5.842 0.973 1.00 0.00 N ATOM 142 CA ARG A 916 13.096 6.205 0.497 1.00 0.00 C ATOM 143 C ARG A 916 12.187 4.982 0.489 1.00 0.00 C ATOM 144 O ARG A 916 10.999 5.089 0.774 1.00 0.00 O ATOM 145 CB ARG A 916 13.150 6.850 -0.891 1.00 0.00 C ATOM 146 CG ARG A 916 13.699 5.947 -1.983 1.00 0.00 C ATOM 147 CD ARG A 916 13.585 6.603 -3.347 1.00 0.00 C ATOM 148 NE ARG A 916 14.339 7.852 -3.426 1.00 0.00 N ATOM 149 CZ ARG A 916 13.785 9.056 -3.560 1.00 0.00 C ATOM 150 NH1 ARG A 916 12.463 9.197 -3.576 1.00 0.00 N ATOM 151 NH2 ARG A 916 14.558 10.123 -3.674 1.00 0.00 N ATOM 0 H ARG A 916 15.161 5.902 0.274 1.00 0.00 H new ATOM 0 HA ARG A 916 12.685 6.946 1.183 1.00 0.00 H new ATOM 0 HB2 ARG A 916 12.145 7.167 -1.170 1.00 0.00 H new ATOM 0 HB3 ARG A 916 13.764 7.749 -0.837 1.00 0.00 H new ATOM 0 HG2 ARG A 916 14.743 5.714 -1.775 1.00 0.00 H new ATOM 0 HG3 ARG A 916 13.156 5.002 -1.984 1.00 0.00 H new ATOM 0 HD2 ARG A 916 13.946 5.914 -4.110 1.00 0.00 H new ATOM 0 HD3 ARG A 916 12.536 6.800 -3.566 1.00 0.00 H new ATOM 0 HE ARG A 916 15.356 7.799 -3.375 1.00 0.00 H new ATOM 0 HH11 ARG A 916 11.862 8.378 -3.485 1.00 0.00 H new ATOM 0 HH12 ARG A 916 12.050 10.124 -3.679 1.00 0.00 H new ATOM 0 HH21 ARG A 916 15.573 10.022 -3.659 1.00 0.00 H new ATOM 0 HH22 ARG A 916 14.139 11.047 -3.777 1.00 0.00 H new ATOM 165 N LEU A 917 12.762 3.818 0.195 1.00 0.00 N ATOM 166 CA LEU A 917 12.017 2.563 0.216 1.00 0.00 C ATOM 167 C LEU A 917 11.494 2.268 1.615 1.00 0.00 C ATOM 168 O LEU A 917 10.316 1.965 1.789 1.00 0.00 O ATOM 169 CB LEU A 917 12.894 1.406 -0.262 1.00 0.00 C ATOM 170 CG LEU A 917 12.784 1.067 -1.747 1.00 0.00 C ATOM 171 CD1 LEU A 917 13.818 0.024 -2.133 1.00 0.00 C ATOM 172 CD2 LEU A 917 11.383 0.565 -2.066 1.00 0.00 C ATOM 0 H LEU A 917 13.744 3.719 -0.061 1.00 0.00 H new ATOM 0 HA LEU A 917 11.169 2.667 -0.461 1.00 0.00 H new ATOM 0 HB2 LEU A 917 13.934 1.645 -0.038 1.00 0.00 H new ATOM 0 HB3 LEU A 917 12.639 0.517 0.315 1.00 0.00 H new ATOM 0 HG LEU A 917 12.975 1.971 -2.326 1.00 0.00 H new ATOM 0 HD11 LEU A 917 13.725 -0.205 -3.195 1.00 0.00 H new ATOM 0 HD12 LEU A 917 14.817 0.410 -1.932 1.00 0.00 H new ATOM 0 HD13 LEU A 917 13.655 -0.883 -1.550 1.00 0.00 H new ATOM 0 HD21 LEU A 917 11.315 0.326 -3.127 1.00 0.00 H new ATOM 0 HD22 LEU A 917 11.174 -0.329 -1.479 1.00 0.00 H new ATOM 0 HD23 LEU A 917 10.655 1.338 -1.821 1.00 0.00 H new ATOM 184 N GLU A 918 12.376 2.375 2.604 1.00 0.00 N ATOM 185 CA GLU A 918 12.013 2.147 4.001 1.00 0.00 C ATOM 186 C GLU A 918 10.797 2.979 4.398 1.00 0.00 C ATOM 187 O GLU A 918 9.853 2.479 5.011 1.00 0.00 O ATOM 188 CB GLU A 918 13.183 2.511 4.916 1.00 0.00 C ATOM 189 CG GLU A 918 14.421 1.662 4.705 1.00 0.00 C ATOM 190 CD GLU A 918 15.598 2.142 5.527 1.00 0.00 C ATOM 191 OE1 GLU A 918 15.376 2.785 6.577 1.00 0.00 O ATOM 192 OE2 GLU A 918 16.748 1.883 5.124 1.00 0.00 O ATOM 0 H GLU A 918 13.356 2.620 2.463 1.00 0.00 H new ATOM 0 HA GLU A 918 11.769 1.090 4.111 1.00 0.00 H new ATOM 0 HB2 GLU A 918 13.442 3.558 4.758 1.00 0.00 H new ATOM 0 HB3 GLU A 918 12.862 2.415 5.953 1.00 0.00 H new ATOM 0 HG2 GLU A 918 14.197 0.628 4.966 1.00 0.00 H new ATOM 0 HG3 GLU A 918 14.690 1.674 3.649 1.00 0.00 H new ATOM 199 N HIS A 919 10.819 4.246 4.025 1.00 0.00 N ATOM 200 CA HIS A 919 9.775 5.175 4.432 1.00 0.00 C ATOM 201 C HIS A 919 8.526 5.025 3.566 1.00 0.00 C ATOM 202 O HIS A 919 7.404 5.131 4.062 1.00 0.00 O ATOM 203 CB HIS A 919 10.294 6.613 4.386 1.00 0.00 C ATOM 204 CG HIS A 919 11.321 6.911 5.437 1.00 0.00 C ATOM 205 ND1 HIS A 919 12.549 6.380 5.655 1.00 0.00 N flip ATOM 206 CD2 HIS A 919 11.139 7.855 6.421 1.00 0.00 C flip ATOM 207 CE1 HIS A 919 13.076 7.007 6.752 1.00 0.00 C flip ATOM 208 NE2 HIS A 919 12.208 7.893 7.196 1.00 0.00 N flip ATOM 0 H HIS A 919 11.547 4.657 3.441 1.00 0.00 H new ATOM 0 HA HIS A 919 9.496 4.937 5.458 1.00 0.00 H new ATOM 0 HB2 HIS A 919 10.725 6.804 3.403 1.00 0.00 H new ATOM 0 HB3 HIS A 919 9.455 7.298 4.505 1.00 0.00 H new ATOM 0 HD1 HIS A 919 12.998 5.648 5.104 1.00 0.00 H new ATOM 0 HD2 HIS A 919 10.259 8.469 6.541 1.00 0.00 H new ATOM 0 HE1 HIS A 919 14.046 6.808 7.183 1.00 0.00 H new ATOM 216 N ALA A 920 8.721 4.763 2.280 1.00 0.00 N ATOM 217 CA ALA A 920 7.601 4.579 1.367 1.00 0.00 C ATOM 218 C ALA A 920 6.859 3.281 1.670 1.00 0.00 C ATOM 219 O ALA A 920 5.635 3.221 1.589 1.00 0.00 O ATOM 220 CB ALA A 920 8.077 4.601 -0.076 1.00 0.00 C ATOM 0 H ALA A 920 9.640 4.673 1.847 1.00 0.00 H new ATOM 0 HA ALA A 920 6.907 5.407 1.512 1.00 0.00 H new ATOM 0 HB1 ALA A 920 7.226 4.462 -0.742 1.00 0.00 H new ATOM 0 HB2 ALA A 920 8.551 5.559 -0.288 1.00 0.00 H new ATOM 0 HB3 ALA A 920 8.796 3.797 -0.234 1.00 0.00 H new ATOM 226 N ALA A 921 7.605 2.248 2.037 1.00 0.00 N ATOM 227 CA ALA A 921 7.008 0.961 2.363 1.00 0.00 C ATOM 228 C ALA A 921 6.165 1.057 3.629 1.00 0.00 C ATOM 229 O ALA A 921 5.074 0.491 3.700 1.00 0.00 O ATOM 230 CB ALA A 921 8.079 -0.105 2.510 1.00 0.00 C ATOM 0 H ALA A 921 8.622 2.276 2.116 1.00 0.00 H new ATOM 0 HA ALA A 921 6.351 0.675 1.541 1.00 0.00 H new ATOM 0 HB1 ALA A 921 7.612 -1.059 2.754 1.00 0.00 H new ATOM 0 HB2 ALA A 921 8.630 -0.199 1.574 1.00 0.00 H new ATOM 0 HB3 ALA A 921 8.766 0.177 3.308 1.00 0.00 H new ATOM 236 N LYS A 922 6.660 1.788 4.624 1.00 0.00 N ATOM 237 CA LYS A 922 5.925 1.945 5.873 1.00 0.00 C ATOM 238 C LYS A 922 4.665 2.778 5.672 1.00 0.00 C ATOM 239 O LYS A 922 3.630 2.485 6.267 1.00 0.00 O ATOM 240 CB LYS A 922 6.792 2.578 6.967 1.00 0.00 C ATOM 241 CG LYS A 922 7.953 1.705 7.404 1.00 0.00 C ATOM 242 CD LYS A 922 8.566 2.161 8.724 1.00 0.00 C ATOM 243 CE LYS A 922 9.076 3.597 8.676 1.00 0.00 C ATOM 244 NZ LYS A 922 8.042 4.579 9.110 1.00 0.00 N ATOM 0 H LYS A 922 7.556 2.275 4.591 1.00 0.00 H new ATOM 0 HA LYS A 922 5.639 0.944 6.196 1.00 0.00 H new ATOM 0 HB2 LYS A 922 7.180 3.530 6.605 1.00 0.00 H new ATOM 0 HB3 LYS A 922 6.167 2.797 7.833 1.00 0.00 H new ATOM 0 HG2 LYS A 922 7.611 0.675 7.503 1.00 0.00 H new ATOM 0 HG3 LYS A 922 8.720 1.713 6.630 1.00 0.00 H new ATOM 0 HD2 LYS A 922 7.821 2.071 9.515 1.00 0.00 H new ATOM 0 HD3 LYS A 922 9.390 1.497 8.985 1.00 0.00 H new ATOM 0 HE2 LYS A 922 9.954 3.690 9.316 1.00 0.00 H new ATOM 0 HE3 LYS A 922 9.395 3.833 7.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 922 8.507 5.432 9.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 922 7.445 4.836 8.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 922 7.451 4.155 9.853 1.00 0.00 H new ATOM 258 N GLN A 923 4.740 3.804 4.827 1.00 0.00 N ATOM 259 CA GLN A 923 3.577 4.653 4.580 1.00 0.00 C ATOM 260 C GLN A 923 2.552 3.903 3.736 1.00 0.00 C ATOM 261 O GLN A 923 1.347 4.090 3.903 1.00 0.00 O ATOM 262 CB GLN A 923 3.975 5.969 3.898 1.00 0.00 C ATOM 263 CG GLN A 923 4.411 5.809 2.454 1.00 0.00 C ATOM 264 CD GLN A 923 4.743 7.121 1.780 1.00 0.00 C ATOM 265 OE1 GLN A 923 3.873 7.771 1.201 1.00 0.00 O ATOM 266 NE2 GLN A 923 6.003 7.517 1.842 1.00 0.00 N ATOM 0 H GLN A 923 5.579 4.065 4.309 1.00 0.00 H new ATOM 0 HA GLN A 923 3.132 4.903 5.543 1.00 0.00 H new ATOM 0 HB2 GLN A 923 3.130 6.657 3.938 1.00 0.00 H new ATOM 0 HB3 GLN A 923 4.786 6.428 4.463 1.00 0.00 H new ATOM 0 HG2 GLN A 923 5.284 5.158 2.416 1.00 0.00 H new ATOM 0 HG3 GLN A 923 3.618 5.312 1.895 1.00 0.00 H new ATOM 0 HE21 GLN A 923 6.693 6.948 2.332 1.00 0.00 H new ATOM 0 HE22 GLN A 923 6.285 8.392 1.400 1.00 0.00 H new ATOM 275 N ALA A 924 3.037 3.049 2.835 1.00 0.00 N ATOM 276 CA ALA A 924 2.162 2.202 2.038 1.00 0.00 C ATOM 277 C ALA A 924 1.453 1.201 2.940 1.00 0.00 C ATOM 278 O ALA A 924 0.232 1.052 2.881 1.00 0.00 O ATOM 279 CB ALA A 924 2.951 1.480 0.951 1.00 0.00 C ATOM 0 H ALA A 924 4.031 2.928 2.642 1.00 0.00 H new ATOM 0 HA ALA A 924 1.416 2.829 1.550 1.00 0.00 H new ATOM 0 HB1 ALA A 924 2.277 0.853 0.368 1.00 0.00 H new ATOM 0 HB2 ALA A 924 3.422 2.213 0.296 1.00 0.00 H new ATOM 0 HB3 ALA A 924 3.719 0.858 1.411 1.00 0.00 H new ATOM 285 N ALA A 925 2.232 0.542 3.795 1.00 0.00 N ATOM 286 CA ALA A 925 1.696 -0.402 4.768 1.00 0.00 C ATOM 287 C ALA A 925 0.684 0.281 5.690 1.00 0.00 C ATOM 288 O ALA A 925 -0.388 -0.262 5.973 1.00 0.00 O ATOM 289 CB ALA A 925 2.835 -1.015 5.578 1.00 0.00 C ATOM 0 H ALA A 925 3.246 0.647 3.832 1.00 0.00 H new ATOM 0 HA ALA A 925 1.176 -1.197 4.233 1.00 0.00 H new ATOM 0 HB1 ALA A 925 2.428 -1.719 6.303 1.00 0.00 H new ATOM 0 HB2 ALA A 925 3.518 -1.538 4.908 1.00 0.00 H new ATOM 0 HB3 ALA A 925 3.374 -0.226 6.102 1.00 0.00 H new ATOM 295 N ALA A 926 1.029 1.485 6.139 1.00 0.00 N ATOM 296 CA ALA A 926 0.160 2.270 7.011 1.00 0.00 C ATOM 297 C ALA A 926 -1.146 2.630 6.313 1.00 0.00 C ATOM 298 O ALA A 926 -2.235 2.377 6.835 1.00 0.00 O ATOM 299 CB ALA A 926 0.873 3.541 7.451 1.00 0.00 C ATOM 0 H ALA A 926 1.912 1.941 5.911 1.00 0.00 H new ATOM 0 HA ALA A 926 -0.075 1.662 7.884 1.00 0.00 H new ATOM 0 HB1 ALA A 926 0.217 4.120 8.101 1.00 0.00 H new ATOM 0 HB2 ALA A 926 1.782 3.279 7.993 1.00 0.00 H new ATOM 0 HB3 ALA A 926 1.132 4.135 6.575 1.00 0.00 H new ATOM 305 N SER A 927 -1.024 3.214 5.129 1.00 0.00 N ATOM 306 CA SER A 927 -2.177 3.652 4.361 1.00 0.00 C ATOM 307 C SER A 927 -3.065 2.468 3.987 1.00 0.00 C ATOM 308 O SER A 927 -4.291 2.571 4.002 1.00 0.00 O ATOM 309 CB SER A 927 -1.715 4.393 3.108 1.00 0.00 C ATOM 310 OG SER A 927 -0.915 5.514 3.449 1.00 0.00 O ATOM 0 H SER A 927 -0.128 3.396 4.677 1.00 0.00 H new ATOM 0 HA SER A 927 -2.767 4.331 4.977 1.00 0.00 H new ATOM 0 HB2 SER A 927 -1.147 3.717 2.469 1.00 0.00 H new ATOM 0 HB3 SER A 927 -2.582 4.721 2.534 1.00 0.00 H new ATOM 0 HG SER A 927 -0.011 5.213 3.679 1.00 0.00 H new ATOM 316 N ALA A 928 -2.446 1.339 3.668 1.00 0.00 N ATOM 317 CA ALA A 928 -3.188 0.128 3.350 1.00 0.00 C ATOM 318 C ALA A 928 -4.025 -0.311 4.542 1.00 0.00 C ATOM 319 O ALA A 928 -5.200 -0.638 4.400 1.00 0.00 O ATOM 320 CB ALA A 928 -2.242 -0.986 2.936 1.00 0.00 C ATOM 0 H ALA A 928 -1.432 1.237 3.623 1.00 0.00 H new ATOM 0 HA ALA A 928 -3.854 0.345 2.515 1.00 0.00 H new ATOM 0 HB1 ALA A 928 -2.816 -1.883 2.702 1.00 0.00 H new ATOM 0 HB2 ALA A 928 -1.678 -0.676 2.056 1.00 0.00 H new ATOM 0 HB3 ALA A 928 -1.552 -1.199 3.752 1.00 0.00 H new ATOM 326 N THR A 929 -3.412 -0.283 5.717 1.00 0.00 N ATOM 327 CA THR A 929 -4.074 -0.678 6.953 1.00 0.00 C ATOM 328 C THR A 929 -5.360 0.122 7.182 1.00 0.00 C ATOM 329 O THR A 929 -6.422 -0.451 7.450 1.00 0.00 O ATOM 330 CB THR A 929 -3.127 -0.490 8.156 1.00 0.00 C ATOM 331 OG1 THR A 929 -1.941 -1.273 7.967 1.00 0.00 O ATOM 332 CG2 THR A 929 -3.799 -0.894 9.459 1.00 0.00 C ATOM 0 H THR A 929 -2.444 0.013 5.841 1.00 0.00 H new ATOM 0 HA THR A 929 -4.337 -1.732 6.860 1.00 0.00 H new ATOM 0 HB THR A 929 -2.868 0.567 8.218 1.00 0.00 H new ATOM 0 HG1 THR A 929 -1.421 -0.905 7.223 1.00 0.00 H new ATOM 0 HG21 THR A 929 -3.105 -0.749 10.287 1.00 0.00 H new ATOM 0 HG22 THR A 929 -4.685 -0.279 9.617 1.00 0.00 H new ATOM 0 HG23 THR A 929 -4.090 -1.943 9.408 1.00 0.00 H new ATOM 340 N GLN A 930 -5.267 1.441 7.049 1.00 0.00 N ATOM 341 CA GLN A 930 -6.408 2.310 7.306 1.00 0.00 C ATOM 342 C GLN A 930 -7.472 2.131 6.232 1.00 0.00 C ATOM 343 O GLN A 930 -8.670 2.154 6.518 1.00 0.00 O ATOM 344 CB GLN A 930 -5.959 3.769 7.396 1.00 0.00 C ATOM 345 CG GLN A 930 -5.554 4.382 6.073 1.00 0.00 C ATOM 346 CD GLN A 930 -4.935 5.755 6.237 1.00 0.00 C ATOM 347 OE1 GLN A 930 -3.719 5.890 6.371 1.00 0.00 O ATOM 348 NE2 GLN A 930 -5.764 6.782 6.247 1.00 0.00 N ATOM 0 H GLN A 930 -4.417 1.929 6.766 1.00 0.00 H new ATOM 0 HA GLN A 930 -6.848 2.031 8.264 1.00 0.00 H new ATOM 0 HB2 GLN A 930 -6.769 4.360 7.823 1.00 0.00 H new ATOM 0 HB3 GLN A 930 -5.118 3.836 8.086 1.00 0.00 H new ATOM 0 HG2 GLN A 930 -4.843 3.724 5.573 1.00 0.00 H new ATOM 0 HG3 GLN A 930 -6.429 4.456 5.427 1.00 0.00 H new ATOM 0 HE21 GLN A 930 -6.766 6.630 6.133 1.00 0.00 H new ATOM 0 HE22 GLN A 930 -5.403 7.728 6.369 1.00 0.00 H new ATOM 357 N THR A 931 -7.021 1.930 5.003 1.00 0.00 N ATOM 358 CA THR A 931 -7.925 1.689 3.887 1.00 0.00 C ATOM 359 C THR A 931 -8.704 0.389 4.092 1.00 0.00 C ATOM 360 O THR A 931 -9.902 0.330 3.828 1.00 0.00 O ATOM 361 CB THR A 931 -7.163 1.633 2.547 1.00 0.00 C ATOM 362 OG1 THR A 931 -6.358 2.807 2.401 1.00 0.00 O ATOM 363 CG2 THR A 931 -8.125 1.534 1.370 1.00 0.00 C ATOM 0 H THR A 931 -6.032 1.929 4.752 1.00 0.00 H new ATOM 0 HA THR A 931 -8.626 2.523 3.850 1.00 0.00 H new ATOM 0 HB THR A 931 -6.531 0.745 2.554 1.00 0.00 H new ATOM 0 HG1 THR A 931 -5.595 2.759 3.014 1.00 0.00 H new ATOM 0 HG21 THR A 931 -7.559 1.496 0.439 1.00 0.00 H new ATOM 0 HG22 THR A 931 -8.726 0.630 1.466 1.00 0.00 H new ATOM 0 HG23 THR A 931 -8.780 2.405 1.361 1.00 0.00 H new ATOM 371 N ILE A 932 -8.022 -0.643 4.585 1.00 0.00 N ATOM 372 CA ILE A 932 -8.661 -1.927 4.858 1.00 0.00 C ATOM 373 C ILE A 932 -9.802 -1.762 5.865 1.00 0.00 C ATOM 374 O ILE A 932 -10.902 -2.279 5.659 1.00 0.00 O ATOM 375 CB ILE A 932 -7.644 -2.967 5.387 1.00 0.00 C ATOM 376 CG1 ILE A 932 -6.643 -3.340 4.289 1.00 0.00 C ATOM 377 CG2 ILE A 932 -8.354 -4.213 5.904 1.00 0.00 C ATOM 378 CD1 ILE A 932 -5.587 -4.329 4.735 1.00 0.00 C ATOM 0 H ILE A 932 -7.026 -0.614 4.803 1.00 0.00 H new ATOM 0 HA ILE A 932 -9.066 -2.293 3.915 1.00 0.00 H new ATOM 0 HB ILE A 932 -7.101 -2.517 6.219 1.00 0.00 H new ATOM 0 HG12 ILE A 932 -7.186 -3.760 3.442 1.00 0.00 H new ATOM 0 HG13 ILE A 932 -6.152 -2.434 3.935 1.00 0.00 H new ATOM 0 HG21 ILE A 932 -7.616 -4.927 6.270 1.00 0.00 H new ATOM 0 HG22 ILE A 932 -9.026 -3.938 6.717 1.00 0.00 H new ATOM 0 HG23 ILE A 932 -8.928 -4.666 5.096 1.00 0.00 H new ATOM 0 HD11 ILE A 932 -4.916 -4.544 3.904 1.00 0.00 H new ATOM 0 HD12 ILE A 932 -5.017 -3.905 5.561 1.00 0.00 H new ATOM 0 HD13 ILE A 932 -6.067 -5.251 5.061 1.00 0.00 H new ATOM 390 N ALA A 933 -9.541 -1.022 6.936 1.00 0.00 N ATOM 391 CA ALA A 933 -10.549 -0.778 7.961 1.00 0.00 C ATOM 392 C ALA A 933 -11.713 0.035 7.397 1.00 0.00 C ATOM 393 O ALA A 933 -12.882 -0.253 7.673 1.00 0.00 O ATOM 394 CB ALA A 933 -9.928 -0.063 9.152 1.00 0.00 C ATOM 0 H ALA A 933 -8.640 -0.580 7.117 1.00 0.00 H new ATOM 0 HA ALA A 933 -10.938 -1.740 8.295 1.00 0.00 H new ATOM 0 HB1 ALA A 933 -10.692 0.113 9.910 1.00 0.00 H new ATOM 0 HB2 ALA A 933 -9.134 -0.680 9.573 1.00 0.00 H new ATOM 0 HB3 ALA A 933 -9.512 0.891 8.827 1.00 0.00 H new ATOM 400 N ALA A 934 -11.381 1.039 6.597 1.00 0.00 N ATOM 401 CA ALA A 934 -12.380 1.900 5.984 1.00 0.00 C ATOM 402 C ALA A 934 -13.235 1.129 4.986 1.00 0.00 C ATOM 403 O ALA A 934 -14.450 1.314 4.918 1.00 0.00 O ATOM 404 CB ALA A 934 -11.702 3.075 5.299 1.00 0.00 C ATOM 0 H ALA A 934 -10.419 1.278 6.357 1.00 0.00 H new ATOM 0 HA ALA A 934 -13.037 2.273 6.770 1.00 0.00 H new ATOM 0 HB1 ALA A 934 -12.457 3.715 4.842 1.00 0.00 H new ATOM 0 HB2 ALA A 934 -11.137 3.648 6.034 1.00 0.00 H new ATOM 0 HB3 ALA A 934 -11.025 2.706 4.528 1.00 0.00 H new ATOM 410 N ALA A 935 -12.587 0.257 4.223 1.00 0.00 N ATOM 411 CA ALA A 935 -13.263 -0.540 3.208 1.00 0.00 C ATOM 412 C ALA A 935 -14.330 -1.435 3.825 1.00 0.00 C ATOM 413 O ALA A 935 -15.418 -1.582 3.275 1.00 0.00 O ATOM 414 CB ALA A 935 -12.250 -1.372 2.435 1.00 0.00 C ATOM 0 H ALA A 935 -11.584 0.083 4.290 1.00 0.00 H new ATOM 0 HA ALA A 935 -13.761 0.142 2.519 1.00 0.00 H new ATOM 0 HB1 ALA A 935 -12.766 -1.964 1.679 1.00 0.00 H new ATOM 0 HB2 ALA A 935 -11.531 -0.712 1.950 1.00 0.00 H new ATOM 0 HB3 ALA A 935 -11.726 -2.037 3.121 1.00 0.00 H new ATOM 420 N GLN A 936 -14.018 -2.023 4.975 1.00 0.00 N ATOM 421 CA GLN A 936 -14.967 -2.887 5.670 1.00 0.00 C ATOM 422 C GLN A 936 -16.188 -2.089 6.117 1.00 0.00 C ATOM 423 O GLN A 936 -17.327 -2.531 5.956 1.00 0.00 O ATOM 424 CB GLN A 936 -14.311 -3.543 6.886 1.00 0.00 C ATOM 425 CG GLN A 936 -13.044 -4.312 6.562 1.00 0.00 C ATOM 426 CD GLN A 936 -12.441 -4.971 7.785 1.00 0.00 C ATOM 427 OE1 GLN A 936 -11.122 -5.033 7.830 1.00 0.00 O flip ATOM 428 NE2 GLN A 936 -13.156 -5.399 8.692 1.00 0.00 N flip ATOM 0 H GLN A 936 -13.119 -1.918 5.445 1.00 0.00 H new ATOM 0 HA GLN A 936 -15.283 -3.666 4.976 1.00 0.00 H new ATOM 0 HB2 GLN A 936 -14.078 -2.772 7.621 1.00 0.00 H new ATOM 0 HB3 GLN A 936 -15.027 -4.221 7.351 1.00 0.00 H new ATOM 0 HG2 GLN A 936 -13.265 -5.073 5.814 1.00 0.00 H new ATOM 0 HG3 GLN A 936 -12.314 -3.634 6.120 1.00 0.00 H new ATOM 0 HE21 GLN A 936 -14.171 -5.331 8.617 1.00 0.00 H new ATOM 0 HE22 GLN A 936 -12.733 -5.821 9.519 1.00 0.00 H new ATOM 437 N HIS A 937 -15.941 -0.902 6.659 1.00 0.00 N ATOM 438 CA HIS A 937 -17.012 -0.029 7.127 1.00 0.00 C ATOM 439 C HIS A 937 -17.885 0.422 5.960 1.00 0.00 C ATOM 440 O HIS A 937 -19.106 0.512 6.080 1.00 0.00 O ATOM 441 CB HIS A 937 -16.426 1.184 7.862 1.00 0.00 C ATOM 442 CG HIS A 937 -17.451 2.167 8.346 1.00 0.00 C ATOM 443 ND1 HIS A 937 -18.267 1.935 9.429 1.00 0.00 N ATOM 444 CD2 HIS A 937 -17.788 3.394 7.882 1.00 0.00 C ATOM 445 CE1 HIS A 937 -19.060 2.973 9.612 1.00 0.00 C ATOM 446 NE2 HIS A 937 -18.790 3.872 8.686 1.00 0.00 N ATOM 0 H HIS A 937 -15.004 -0.520 6.786 1.00 0.00 H new ATOM 0 HA HIS A 937 -17.636 -0.589 7.824 1.00 0.00 H new ATOM 0 HB2 HIS A 937 -15.846 0.832 8.715 1.00 0.00 H new ATOM 0 HB3 HIS A 937 -15.733 1.698 7.196 1.00 0.00 H new ATOM 0 HD2 HIS A 937 -17.349 3.901 7.036 1.00 0.00 H new ATOM 0 HE1 HIS A 937 -19.804 3.070 10.389 1.00 0.00 H new ATOM 0 HE2 HIS A 937 -19.252 4.776 8.584 1.00 0.00 H new ATOM 454 N ALA A 938 -17.253 0.694 4.830 1.00 0.00 N ATOM 455 CA ALA A 938 -17.971 1.133 3.643 1.00 0.00 C ATOM 456 C ALA A 938 -18.742 -0.018 3.006 1.00 0.00 C ATOM 457 O ALA A 938 -19.797 0.185 2.406 1.00 0.00 O ATOM 458 CB ALA A 938 -17.003 1.743 2.648 1.00 0.00 C ATOM 0 H ALA A 938 -16.243 0.619 4.709 1.00 0.00 H new ATOM 0 HA ALA A 938 -18.696 1.890 3.942 1.00 0.00 H new ATOM 0 HB1 ALA A 938 -17.549 2.069 1.762 1.00 0.00 H new ATOM 0 HB2 ALA A 938 -16.505 2.599 3.103 1.00 0.00 H new ATOM 0 HB3 ALA A 938 -16.258 1.000 2.362 1.00 0.00 H new ATOM 464 N ALA A 939 -18.230 -1.232 3.169 1.00 0.00 N ATOM 465 CA ALA A 939 -18.848 -2.419 2.585 1.00 0.00 C ATOM 466 C ALA A 939 -20.055 -2.886 3.399 1.00 0.00 C ATOM 467 O ALA A 939 -20.526 -4.014 3.236 1.00 0.00 O ATOM 468 CB ALA A 939 -17.823 -3.537 2.469 1.00 0.00 C ATOM 0 H ALA A 939 -17.383 -1.422 3.704 1.00 0.00 H new ATOM 0 HA ALA A 939 -19.206 -2.155 1.590 1.00 0.00 H new ATOM 0 HB1 ALA A 939 -18.293 -4.418 2.032 1.00 0.00 H new ATOM 0 HB2 ALA A 939 -17.000 -3.212 1.832 1.00 0.00 H new ATOM 0 HB3 ALA A 939 -17.440 -3.783 3.459 1.00 0.00 H new ATOM 474 N SER A 940 -20.552 -2.017 4.269 1.00 0.00 N ATOM 475 CA SER A 940 -21.727 -2.319 5.071 1.00 0.00 C ATOM 476 C SER A 940 -22.958 -2.477 4.179 1.00 0.00 C ATOM 477 O SER A 940 -23.752 -3.401 4.358 1.00 0.00 O ATOM 478 CB SER A 940 -21.958 -1.213 6.106 1.00 0.00 C ATOM 479 OG SER A 940 -23.086 -1.485 6.920 1.00 0.00 O ATOM 0 H SER A 940 -20.156 -1.092 4.437 1.00 0.00 H new ATOM 0 HA SER A 940 -21.558 -3.260 5.595 1.00 0.00 H new ATOM 0 HB2 SER A 940 -21.073 -1.111 6.733 1.00 0.00 H new ATOM 0 HB3 SER A 940 -22.099 -0.260 5.595 1.00 0.00 H new ATOM 0 HG SER A 940 -23.203 -0.761 7.569 1.00 0.00 H new ATOM 485 N ALA A 941 -23.103 -1.584 3.208 1.00 0.00 N ATOM 486 CA ALA A 941 -24.243 -1.623 2.306 1.00 0.00 C ATOM 487 C ALA A 941 -23.847 -1.184 0.902 1.00 0.00 C ATOM 488 O ALA A 941 -23.800 0.009 0.602 1.00 0.00 O ATOM 489 CB ALA A 941 -25.375 -0.758 2.836 1.00 0.00 C ATOM 0 H ALA A 941 -22.446 -0.826 3.027 1.00 0.00 H new ATOM 0 HA ALA A 941 -24.592 -2.654 2.251 1.00 0.00 H new ATOM 0 HB1 ALA A 941 -26.219 -0.800 2.147 1.00 0.00 H new ATOM 0 HB2 ALA A 941 -25.686 -1.125 3.814 1.00 0.00 H new ATOM 0 HB3 ALA A 941 -25.033 0.273 2.928 1.00 0.00 H new ATOM 495 N PRO A 942 -23.518 -2.150 0.040 1.00 0.00 N ATOM 496 CA PRO A 942 -23.182 -1.905 -1.349 1.00 0.00 C ATOM 497 C PRO A 942 -24.395 -2.072 -2.261 1.00 0.00 C ATOM 498 O PRO A 942 -25.505 -2.326 -1.789 1.00 0.00 O ATOM 499 CB PRO A 942 -22.137 -2.994 -1.634 1.00 0.00 C ATOM 500 CG PRO A 942 -22.316 -4.040 -0.566 1.00 0.00 C ATOM 501 CD PRO A 942 -23.425 -3.574 0.349 1.00 0.00 C ATOM 0 HA PRO A 942 -22.827 -0.890 -1.529 1.00 0.00 H new ATOM 0 HB2 PRO A 942 -22.282 -3.422 -2.626 1.00 0.00 H new ATOM 0 HB3 PRO A 942 -21.128 -2.581 -1.609 1.00 0.00 H new ATOM 0 HG2 PRO A 942 -22.566 -5.003 -1.011 1.00 0.00 H new ATOM 0 HG3 PRO A 942 -21.391 -4.178 -0.007 1.00 0.00 H new ATOM 0 HD2 PRO A 942 -24.362 -4.094 0.148 1.00 0.00 H new ATOM 0 HD3 PRO A 942 -23.184 -3.746 1.398 1.00 0.00 H new ATOM 509 N LYS A 943 -24.184 -1.938 -3.564 1.00 0.00 N ATOM 510 CA LYS A 943 -25.262 -2.126 -4.526 1.00 0.00 C ATOM 511 C LYS A 943 -24.863 -3.170 -5.562 1.00 0.00 C ATOM 512 O LYS A 943 -25.434 -3.235 -6.650 1.00 0.00 O ATOM 513 CB LYS A 943 -25.613 -0.799 -5.209 1.00 0.00 C ATOM 514 CG LYS A 943 -24.546 -0.284 -6.165 1.00 0.00 C ATOM 515 CD LYS A 943 -24.902 1.089 -6.718 1.00 0.00 C ATOM 516 CE LYS A 943 -26.276 1.108 -7.380 1.00 0.00 C ATOM 517 NZ LYS A 943 -26.355 0.205 -8.559 1.00 0.00 N ATOM 0 H LYS A 943 -23.282 -1.701 -3.977 1.00 0.00 H new ATOM 0 HA LYS A 943 -26.145 -2.480 -3.994 1.00 0.00 H new ATOM 0 HB2 LYS A 943 -26.547 -0.922 -5.758 1.00 0.00 H new ATOM 0 HB3 LYS A 943 -25.791 -0.045 -4.442 1.00 0.00 H new ATOM 0 HG2 LYS A 943 -23.588 -0.231 -5.647 1.00 0.00 H new ATOM 0 HG3 LYS A 943 -24.425 -0.988 -6.988 1.00 0.00 H new ATOM 0 HD2 LYS A 943 -24.880 1.820 -5.910 1.00 0.00 H new ATOM 0 HD3 LYS A 943 -24.147 1.393 -7.443 1.00 0.00 H new ATOM 0 HE2 LYS A 943 -27.031 0.814 -6.651 1.00 0.00 H new ATOM 0 HE3 LYS A 943 -26.512 2.126 -7.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 943 -27.308 0.255 -8.972 1.00 0.00 H new ATOM 0 HZ2 LYS A 943 -25.654 0.499 -9.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 943 -26.157 -0.772 -8.262 1.00 0.00 H new ATOM 531 N ALA A 944 -23.891 -4.000 -5.202 1.00 0.00 N ATOM 532 CA ALA A 944 -23.386 -5.025 -6.103 1.00 0.00 C ATOM 533 C ALA A 944 -24.467 -6.048 -6.419 1.00 0.00 C ATOM 534 O ALA A 944 -25.240 -6.445 -5.542 1.00 0.00 O ATOM 535 CB ALA A 944 -22.171 -5.712 -5.502 1.00 0.00 C ATOM 0 H ALA A 944 -23.437 -3.982 -4.289 1.00 0.00 H new ATOM 0 HA ALA A 944 -23.089 -4.541 -7.033 1.00 0.00 H new ATOM 0 HB1 ALA A 944 -21.807 -6.475 -6.190 1.00 0.00 H new ATOM 0 HB2 ALA A 944 -21.386 -4.976 -5.328 1.00 0.00 H new ATOM 0 HB3 ALA A 944 -22.447 -6.178 -4.556 1.00 0.00 H new ATOM 541 N SER A 945 -24.517 -6.468 -7.670 1.00 0.00 N ATOM 542 CA SER A 945 -25.538 -7.394 -8.128 1.00 0.00 C ATOM 543 C SER A 945 -24.911 -8.631 -8.760 1.00 0.00 C ATOM 544 O SER A 945 -25.455 -9.734 -8.675 1.00 0.00 O ATOM 545 CB SER A 945 -26.448 -6.684 -9.127 1.00 0.00 C ATOM 546 OG SER A 945 -25.689 -6.061 -10.152 1.00 0.00 O ATOM 0 H SER A 945 -23.857 -6.180 -8.392 1.00 0.00 H new ATOM 0 HA SER A 945 -26.126 -7.724 -7.272 1.00 0.00 H new ATOM 0 HB2 SER A 945 -27.141 -7.401 -9.567 1.00 0.00 H new ATOM 0 HB3 SER A 945 -27.049 -5.937 -8.609 1.00 0.00 H new ATOM 0 HG SER A 945 -26.293 -5.614 -10.781 1.00 0.00 H new ATOM 552 N ALA A 946 -23.756 -8.446 -9.386 1.00 0.00 N ATOM 553 CA ALA A 946 -23.059 -9.539 -10.042 1.00 0.00 C ATOM 554 C ALA A 946 -22.074 -10.196 -9.086 1.00 0.00 C ATOM 555 O ALA A 946 -21.492 -11.238 -9.390 1.00 0.00 O ATOM 556 CB ALA A 946 -22.342 -9.036 -11.285 1.00 0.00 C ATOM 0 H ALA A 946 -23.283 -7.545 -9.452 1.00 0.00 H new ATOM 0 HA ALA A 946 -23.793 -10.287 -10.343 1.00 0.00 H new ATOM 0 HB1 ALA A 946 -21.824 -9.865 -11.767 1.00 0.00 H new ATOM 0 HB2 ALA A 946 -23.069 -8.611 -11.977 1.00 0.00 H new ATOM 0 HB3 ALA A 946 -21.619 -8.271 -11.003 1.00 0.00 H new ATOM 562 N GLY A 947 -21.893 -9.577 -7.931 1.00 0.00 N ATOM 563 CA GLY A 947 -20.996 -10.113 -6.934 1.00 0.00 C ATOM 564 C GLY A 947 -21.638 -10.161 -5.564 1.00 0.00 C ATOM 565 O GLY A 947 -22.096 -9.133 -5.061 1.00 0.00 O ATOM 0 H GLY A 947 -22.355 -8.707 -7.666 1.00 0.00 H new ATOM 0 HA2 GLY A 947 -20.687 -11.117 -7.226 1.00 0.00 H new ATOM 0 HA3 GLY A 947 -20.094 -9.502 -6.891 1.00 0.00 H new ATOM 569 N PRO A 948 -21.701 -11.344 -4.935 1.00 0.00 N ATOM 570 CA PRO A 948 -22.287 -11.511 -3.605 1.00 0.00 C ATOM 571 C PRO A 948 -21.347 -11.040 -2.508 1.00 0.00 C ATOM 572 O PRO A 948 -21.712 -10.961 -1.334 1.00 0.00 O ATOM 573 CB PRO A 948 -22.534 -13.025 -3.492 1.00 0.00 C ATOM 574 CG PRO A 948 -22.139 -13.612 -4.813 1.00 0.00 C ATOM 575 CD PRO A 948 -21.224 -12.622 -5.470 1.00 0.00 C ATOM 0 HA PRO A 948 -23.194 -10.919 -3.485 1.00 0.00 H new ATOM 0 HB2 PRO A 948 -21.945 -13.456 -2.683 1.00 0.00 H new ATOM 0 HB3 PRO A 948 -23.581 -13.233 -3.271 1.00 0.00 H new ATOM 0 HG2 PRO A 948 -21.638 -14.570 -4.676 1.00 0.00 H new ATOM 0 HG3 PRO A 948 -23.017 -13.797 -5.432 1.00 0.00 H new ATOM 0 HD2 PRO A 948 -20.180 -12.804 -5.216 1.00 0.00 H new ATOM 0 HD3 PRO A 948 -21.299 -12.660 -6.557 1.00 0.00 H new ATOM 583 N GLN A 949 -20.139 -10.721 -2.913 1.00 0.00 N ATOM 584 CA GLN A 949 -19.111 -10.252 -2.000 1.00 0.00 C ATOM 585 C GLN A 949 -18.512 -8.951 -2.508 1.00 0.00 C ATOM 586 O GLN A 949 -18.098 -8.866 -3.666 1.00 0.00 O ATOM 587 CB GLN A 949 -18.010 -11.304 -1.835 1.00 0.00 C ATOM 588 CG GLN A 949 -18.402 -12.472 -0.943 1.00 0.00 C ATOM 589 CD GLN A 949 -18.678 -12.044 0.488 1.00 0.00 C ATOM 590 OE1 GLN A 949 -17.769 -11.990 1.317 1.00 0.00 O ATOM 591 NE2 GLN A 949 -19.931 -11.743 0.788 1.00 0.00 N ATOM 0 H GLN A 949 -19.837 -10.778 -3.886 1.00 0.00 H new ATOM 0 HA GLN A 949 -19.572 -10.077 -1.028 1.00 0.00 H new ATOM 0 HB2 GLN A 949 -17.736 -11.686 -2.818 1.00 0.00 H new ATOM 0 HB3 GLN A 949 -17.123 -10.825 -1.421 1.00 0.00 H new ATOM 0 HG2 GLN A 949 -19.289 -12.955 -1.352 1.00 0.00 H new ATOM 0 HG3 GLN A 949 -17.603 -13.214 -0.949 1.00 0.00 H new ATOM 0 HE21 GLN A 949 -20.655 -11.801 0.072 1.00 0.00 H new ATOM 0 HE22 GLN A 949 -20.173 -11.453 1.736 1.00 0.00 H new ATOM 600 N PRO A 950 -18.475 -7.919 -1.651 1.00 0.00 N ATOM 601 CA PRO A 950 -17.890 -6.622 -1.998 1.00 0.00 C ATOM 602 C PRO A 950 -16.416 -6.745 -2.381 1.00 0.00 C ATOM 603 O PRO A 950 -15.650 -7.460 -1.728 1.00 0.00 O ATOM 604 CB PRO A 950 -18.039 -5.799 -0.713 1.00 0.00 C ATOM 605 CG PRO A 950 -19.123 -6.472 0.054 1.00 0.00 C ATOM 606 CD PRO A 950 -19.015 -7.931 -0.280 1.00 0.00 C ATOM 0 HA PRO A 950 -18.380 -6.172 -2.861 1.00 0.00 H new ATOM 0 HB2 PRO A 950 -17.108 -5.780 -0.146 1.00 0.00 H new ATOM 0 HB3 PRO A 950 -18.297 -4.764 -0.935 1.00 0.00 H new ATOM 0 HG2 PRO A 950 -19.005 -6.306 1.125 1.00 0.00 H new ATOM 0 HG3 PRO A 950 -20.101 -6.079 -0.224 1.00 0.00 H new ATOM 0 HD2 PRO A 950 -18.353 -8.455 0.410 1.00 0.00 H new ATOM 0 HD3 PRO A 950 -19.984 -8.429 -0.232 1.00 0.00 H new ATOM 614 N LEU A 951 -16.027 -6.037 -3.432 1.00 0.00 N ATOM 615 CA LEU A 951 -14.652 -6.072 -3.921 1.00 0.00 C ATOM 616 C LEU A 951 -13.696 -5.533 -2.867 1.00 0.00 C ATOM 617 O LEU A 951 -12.548 -5.970 -2.777 1.00 0.00 O ATOM 618 CB LEU A 951 -14.506 -5.261 -5.219 1.00 0.00 C ATOM 619 CG LEU A 951 -15.123 -5.885 -6.482 1.00 0.00 C ATOM 620 CD1 LEU A 951 -14.625 -7.310 -6.677 1.00 0.00 C ATOM 621 CD2 LEU A 951 -16.646 -5.849 -6.430 1.00 0.00 C ATOM 0 H LEU A 951 -16.646 -5.428 -3.966 1.00 0.00 H new ATOM 0 HA LEU A 951 -14.401 -7.112 -4.132 1.00 0.00 H new ATOM 0 HB2 LEU A 951 -14.959 -4.282 -5.064 1.00 0.00 H new ATOM 0 HB3 LEU A 951 -13.444 -5.096 -5.402 1.00 0.00 H new ATOM 0 HG LEU A 951 -14.805 -5.289 -7.337 1.00 0.00 H new ATOM 0 HD11 LEU A 951 -15.074 -7.732 -7.576 1.00 0.00 H new ATOM 0 HD12 LEU A 951 -13.540 -7.305 -6.781 1.00 0.00 H new ATOM 0 HD13 LEU A 951 -14.904 -7.914 -5.814 1.00 0.00 H new ATOM 0 HD21 LEU A 951 -17.052 -6.297 -7.337 1.00 0.00 H new ATOM 0 HD22 LEU A 951 -16.994 -6.409 -5.562 1.00 0.00 H new ATOM 0 HD23 LEU A 951 -16.983 -4.815 -6.354 1.00 0.00 H new ATOM 633 N LEU A 952 -14.190 -4.595 -2.060 1.00 0.00 N ATOM 634 CA LEU A 952 -13.403 -3.985 -0.993 1.00 0.00 C ATOM 635 C LEU A 952 -12.769 -5.042 -0.092 1.00 0.00 C ATOM 636 O LEU A 952 -11.547 -5.178 -0.051 1.00 0.00 O ATOM 637 CB LEU A 952 -14.277 -3.048 -0.155 1.00 0.00 C ATOM 638 CG LEU A 952 -14.755 -1.786 -0.873 1.00 0.00 C ATOM 639 CD1 LEU A 952 -15.702 -0.994 0.012 1.00 0.00 C ATOM 640 CD2 LEU A 952 -13.570 -0.928 -1.283 1.00 0.00 C ATOM 0 H LEU A 952 -15.143 -4.239 -2.128 1.00 0.00 H new ATOM 0 HA LEU A 952 -12.603 -3.411 -1.461 1.00 0.00 H new ATOM 0 HB2 LEU A 952 -15.150 -3.603 0.190 1.00 0.00 H new ATOM 0 HB3 LEU A 952 -13.717 -2.752 0.732 1.00 0.00 H new ATOM 0 HG LEU A 952 -15.294 -2.085 -1.772 1.00 0.00 H new ATOM 0 HD11 LEU A 952 -16.031 -0.099 -0.517 1.00 0.00 H new ATOM 0 HD12 LEU A 952 -16.568 -1.608 0.260 1.00 0.00 H new ATOM 0 HD13 LEU A 952 -15.188 -0.705 0.929 1.00 0.00 H new ATOM 0 HD21 LEU A 952 -13.928 -0.033 -1.793 1.00 0.00 H new ATOM 0 HD22 LEU A 952 -13.006 -0.639 -0.396 1.00 0.00 H new ATOM 0 HD23 LEU A 952 -12.925 -1.495 -1.954 1.00 0.00 H new ATOM 652 N VAL A 953 -13.603 -5.812 0.602 1.00 0.00 N ATOM 653 CA VAL A 953 -13.124 -6.792 1.550 1.00 0.00 C ATOM 654 C VAL A 953 -12.228 -7.831 0.884 1.00 0.00 C ATOM 655 O VAL A 953 -11.283 -8.329 1.487 1.00 0.00 O ATOM 656 CB VAL A 953 -14.290 -7.496 2.254 1.00 0.00 C ATOM 657 CG1 VAL A 953 -15.115 -6.506 3.063 1.00 0.00 C ATOM 658 CG2 VAL A 953 -15.160 -8.243 1.264 1.00 0.00 C ATOM 0 H VAL A 953 -14.619 -5.769 0.519 1.00 0.00 H new ATOM 0 HA VAL A 953 -12.534 -6.252 2.291 1.00 0.00 H new ATOM 0 HB VAL A 953 -13.868 -8.227 2.943 1.00 0.00 H new ATOM 0 HG11 VAL A 953 -15.936 -7.031 3.552 1.00 0.00 H new ATOM 0 HG12 VAL A 953 -14.483 -6.037 3.817 1.00 0.00 H new ATOM 0 HG13 VAL A 953 -15.518 -5.741 2.400 1.00 0.00 H new ATOM 0 HG21 VAL A 953 -15.978 -8.731 1.794 1.00 0.00 H new ATOM 0 HG22 VAL A 953 -15.567 -7.542 0.536 1.00 0.00 H new ATOM 0 HG23 VAL A 953 -14.562 -8.994 0.749 1.00 0.00 H new ATOM 668 N GLN A 954 -12.538 -8.155 -0.361 1.00 0.00 N ATOM 669 CA GLN A 954 -11.748 -9.112 -1.124 1.00 0.00 C ATOM 670 C GLN A 954 -10.341 -8.584 -1.389 1.00 0.00 C ATOM 671 O GLN A 954 -9.357 -9.297 -1.185 1.00 0.00 O ATOM 672 CB GLN A 954 -12.445 -9.460 -2.439 1.00 0.00 C ATOM 673 CG GLN A 954 -13.768 -10.181 -2.245 1.00 0.00 C ATOM 674 CD GLN A 954 -13.627 -11.423 -1.386 1.00 0.00 C ATOM 675 OE1 GLN A 954 -12.579 -12.069 -1.367 1.00 0.00 O ATOM 676 NE2 GLN A 954 -14.677 -11.763 -0.658 1.00 0.00 N ATOM 0 H GLN A 954 -13.334 -7.768 -0.868 1.00 0.00 H new ATOM 0 HA GLN A 954 -11.659 -10.019 -0.527 1.00 0.00 H new ATOM 0 HB2 GLN A 954 -12.618 -8.544 -3.004 1.00 0.00 H new ATOM 0 HB3 GLN A 954 -11.783 -10.085 -3.039 1.00 0.00 H new ATOM 0 HG2 GLN A 954 -14.485 -9.502 -1.783 1.00 0.00 H new ATOM 0 HG3 GLN A 954 -14.174 -10.459 -3.218 1.00 0.00 H new ATOM 0 HE21 GLN A 954 -15.529 -11.204 -0.699 1.00 0.00 H new ATOM 0 HE22 GLN A 954 -14.635 -12.585 -0.055 1.00 0.00 H new ATOM 685 N SER A 955 -10.242 -7.336 -1.829 1.00 0.00 N ATOM 686 CA SER A 955 -8.942 -6.734 -2.077 1.00 0.00 C ATOM 687 C SER A 955 -8.162 -6.572 -0.772 1.00 0.00 C ATOM 688 O SER A 955 -6.945 -6.764 -0.744 1.00 0.00 O ATOM 689 CB SER A 955 -9.097 -5.393 -2.805 1.00 0.00 C ATOM 690 OG SER A 955 -10.003 -4.530 -2.136 1.00 0.00 O ATOM 0 H SER A 955 -11.038 -6.728 -2.019 1.00 0.00 H new ATOM 0 HA SER A 955 -8.371 -7.400 -2.724 1.00 0.00 H new ATOM 0 HB2 SER A 955 -8.124 -4.908 -2.883 1.00 0.00 H new ATOM 0 HB3 SER A 955 -9.448 -5.570 -3.822 1.00 0.00 H new ATOM 0 HG SER A 955 -10.371 -4.987 -1.351 1.00 0.00 H new ATOM 696 N CYS A 956 -8.872 -6.258 0.312 1.00 0.00 N ATOM 697 CA CYS A 956 -8.250 -6.115 1.627 1.00 0.00 C ATOM 698 C CYS A 956 -7.566 -7.409 2.062 1.00 0.00 C ATOM 699 O CYS A 956 -6.519 -7.381 2.711 1.00 0.00 O ATOM 700 CB CYS A 956 -9.296 -5.709 2.668 1.00 0.00 C ATOM 701 SG CYS A 956 -10.063 -4.101 2.362 1.00 0.00 S ATOM 0 H CYS A 956 -9.879 -6.098 0.304 1.00 0.00 H new ATOM 0 HA CYS A 956 -7.492 -5.335 1.552 1.00 0.00 H new ATOM 0 HB2 CYS A 956 -10.075 -6.470 2.699 1.00 0.00 H new ATOM 0 HB3 CYS A 956 -8.826 -5.693 3.651 1.00 0.00 H new ATOM 0 HG CYS A 956 -9.360 -3.444 1.487 1.00 0.00 H new ATOM 707 N LYS A 957 -8.164 -8.541 1.697 1.00 0.00 N ATOM 708 CA LYS A 957 -7.614 -9.848 2.042 1.00 0.00 C ATOM 709 C LYS A 957 -6.234 -10.035 1.423 1.00 0.00 C ATOM 710 O LYS A 957 -5.293 -10.461 2.095 1.00 0.00 O ATOM 711 CB LYS A 957 -8.549 -10.968 1.574 1.00 0.00 C ATOM 712 CG LYS A 957 -9.898 -10.985 2.276 1.00 0.00 C ATOM 713 CD LYS A 957 -10.815 -12.041 1.682 1.00 0.00 C ATOM 714 CE LYS A 957 -12.163 -12.092 2.387 1.00 0.00 C ATOM 715 NZ LYS A 957 -12.882 -10.797 2.326 1.00 0.00 N ATOM 0 H LYS A 957 -9.031 -8.578 1.161 1.00 0.00 H new ATOM 0 HA LYS A 957 -7.521 -9.896 3.127 1.00 0.00 H new ATOM 0 HB2 LYS A 957 -8.711 -10.867 0.501 1.00 0.00 H new ATOM 0 HB3 LYS A 957 -8.057 -11.928 1.733 1.00 0.00 H new ATOM 0 HG2 LYS A 957 -9.755 -11.180 3.339 1.00 0.00 H new ATOM 0 HG3 LYS A 957 -10.367 -10.004 2.192 1.00 0.00 H new ATOM 0 HD2 LYS A 957 -10.968 -11.833 0.623 1.00 0.00 H new ATOM 0 HD3 LYS A 957 -10.334 -13.017 1.749 1.00 0.00 H new ATOM 0 HE2 LYS A 957 -12.779 -12.868 1.932 1.00 0.00 H new ATOM 0 HE3 LYS A 957 -12.014 -12.373 3.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 957 -13.861 -10.928 2.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 957 -12.404 -10.105 2.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 957 -12.886 -10.448 1.346 1.00 0.00 H new ATOM 729 N ALA A 958 -6.121 -9.696 0.143 1.00 0.00 N ATOM 730 CA ALA A 958 -4.869 -9.850 -0.585 1.00 0.00 C ATOM 731 C ALA A 958 -3.823 -8.862 -0.082 1.00 0.00 C ATOM 732 O ALA A 958 -2.658 -9.217 0.104 1.00 0.00 O ATOM 733 CB ALA A 958 -5.100 -9.667 -2.077 1.00 0.00 C ATOM 0 H ALA A 958 -6.885 -9.311 -0.412 1.00 0.00 H new ATOM 0 HA ALA A 958 -4.494 -10.858 -0.411 1.00 0.00 H new ATOM 0 HB1 ALA A 958 -4.156 -9.785 -2.609 1.00 0.00 H new ATOM 0 HB2 ALA A 958 -5.811 -10.415 -2.430 1.00 0.00 H new ATOM 0 HB3 ALA A 958 -5.500 -8.670 -2.264 1.00 0.00 H new ATOM 739 N VAL A 959 -4.250 -7.626 0.150 1.00 0.00 N ATOM 740 CA VAL A 959 -3.358 -6.586 0.649 1.00 0.00 C ATOM 741 C VAL A 959 -2.755 -6.987 1.994 1.00 0.00 C ATOM 742 O VAL A 959 -1.553 -6.834 2.216 1.00 0.00 O ATOM 743 CB VAL A 959 -4.095 -5.234 0.792 1.00 0.00 C ATOM 744 CG1 VAL A 959 -3.198 -4.184 1.427 1.00 0.00 C ATOM 745 CG2 VAL A 959 -4.593 -4.752 -0.560 1.00 0.00 C ATOM 0 H VAL A 959 -5.211 -7.319 0.000 1.00 0.00 H new ATOM 0 HA VAL A 959 -2.556 -6.469 -0.080 1.00 0.00 H new ATOM 0 HB VAL A 959 -4.952 -5.389 1.447 1.00 0.00 H new ATOM 0 HG11 VAL A 959 -3.743 -3.244 1.515 1.00 0.00 H new ATOM 0 HG12 VAL A 959 -2.891 -4.519 2.418 1.00 0.00 H new ATOM 0 HG13 VAL A 959 -2.316 -4.035 0.805 1.00 0.00 H new ATOM 0 HG21 VAL A 959 -5.109 -3.799 -0.439 1.00 0.00 H new ATOM 0 HG22 VAL A 959 -3.747 -4.623 -1.235 1.00 0.00 H new ATOM 0 HG23 VAL A 959 -5.281 -5.487 -0.977 1.00 0.00 H new ATOM 755 N ALA A 960 -3.592 -7.536 2.870 1.00 0.00 N ATOM 756 CA ALA A 960 -3.165 -7.928 4.212 1.00 0.00 C ATOM 757 C ALA A 960 -2.057 -8.981 4.173 1.00 0.00 C ATOM 758 O ALA A 960 -1.276 -9.105 5.120 1.00 0.00 O ATOM 759 CB ALA A 960 -4.352 -8.442 5.012 1.00 0.00 C ATOM 0 H ALA A 960 -4.576 -7.721 2.674 1.00 0.00 H new ATOM 0 HA ALA A 960 -2.759 -7.042 4.700 1.00 0.00 H new ATOM 0 HB1 ALA A 960 -4.021 -8.731 6.010 1.00 0.00 H new ATOM 0 HB2 ALA A 960 -5.104 -7.657 5.092 1.00 0.00 H new ATOM 0 HB3 ALA A 960 -4.783 -9.307 4.508 1.00 0.00 H new ATOM 765 N GLU A 961 -1.991 -9.734 3.083 1.00 0.00 N ATOM 766 CA GLU A 961 -0.964 -10.757 2.922 1.00 0.00 C ATOM 767 C GLU A 961 0.382 -10.129 2.569 1.00 0.00 C ATOM 768 O GLU A 961 1.436 -10.656 2.925 1.00 0.00 O ATOM 769 CB GLU A 961 -1.364 -11.752 1.828 1.00 0.00 C ATOM 770 CG GLU A 961 -2.641 -12.520 2.126 1.00 0.00 C ATOM 771 CD GLU A 961 -2.523 -13.397 3.354 1.00 0.00 C ATOM 772 OE1 GLU A 961 -2.070 -14.552 3.227 1.00 0.00 O ATOM 773 OE2 GLU A 961 -2.891 -12.939 4.454 1.00 0.00 O ATOM 0 H GLU A 961 -2.636 -9.656 2.297 1.00 0.00 H new ATOM 0 HA GLU A 961 -0.869 -11.284 3.871 1.00 0.00 H new ATOM 0 HB2 GLU A 961 -1.488 -11.213 0.889 1.00 0.00 H new ATOM 0 HB3 GLU A 961 -0.550 -12.463 1.683 1.00 0.00 H new ATOM 0 HG2 GLU A 961 -3.460 -11.814 2.266 1.00 0.00 H new ATOM 0 HG3 GLU A 961 -2.897 -13.139 1.266 1.00 0.00 H new ATOM 780 N GLN A 962 0.340 -8.997 1.881 1.00 0.00 N ATOM 781 CA GLN A 962 1.552 -8.375 1.356 1.00 0.00 C ATOM 782 C GLN A 962 2.115 -7.321 2.313 1.00 0.00 C ATOM 783 O GLN A 962 3.300 -6.995 2.253 1.00 0.00 O ATOM 784 CB GLN A 962 1.267 -7.742 -0.007 1.00 0.00 C ATOM 785 CG GLN A 962 0.749 -8.713 -1.061 1.00 0.00 C ATOM 786 CD GLN A 962 1.770 -9.758 -1.484 1.00 0.00 C ATOM 787 OE1 GLN A 962 2.610 -10.189 -0.696 1.00 0.00 O ATOM 788 NE2 GLN A 962 1.709 -10.163 -2.743 1.00 0.00 N ATOM 0 H GLN A 962 -0.519 -8.489 1.672 1.00 0.00 H new ATOM 0 HA GLN A 962 2.303 -9.158 1.248 1.00 0.00 H new ATOM 0 HB2 GLN A 962 0.536 -6.944 0.123 1.00 0.00 H new ATOM 0 HB3 GLN A 962 2.182 -7.279 -0.377 1.00 0.00 H new ATOM 0 HG2 GLN A 962 -0.136 -9.218 -0.673 1.00 0.00 H new ATOM 0 HG3 GLN A 962 0.435 -8.149 -1.939 1.00 0.00 H new ATOM 0 HE21 GLN A 962 0.998 -9.782 -3.367 1.00 0.00 H new ATOM 0 HE22 GLN A 962 2.373 -10.856 -3.089 1.00 0.00 H new ATOM 797 N ILE A 963 1.262 -6.797 3.196 1.00 0.00 N ATOM 798 CA ILE A 963 1.665 -5.754 4.153 1.00 0.00 C ATOM 799 C ILE A 963 2.924 -6.139 4.951 1.00 0.00 C ATOM 800 O ILE A 963 3.897 -5.380 4.962 1.00 0.00 O ATOM 801 CB ILE A 963 0.520 -5.401 5.137 1.00 0.00 C ATOM 802 CG1 ILE A 963 -0.672 -4.815 4.378 1.00 0.00 C ATOM 803 CG2 ILE A 963 1.008 -4.419 6.198 1.00 0.00 C ATOM 804 CD1 ILE A 963 -1.857 -4.483 5.261 1.00 0.00 C ATOM 0 H ILE A 963 0.284 -7.076 3.271 1.00 0.00 H new ATOM 0 HA ILE A 963 1.898 -4.877 3.550 1.00 0.00 H new ATOM 0 HB ILE A 963 0.200 -6.316 5.636 1.00 0.00 H new ATOM 0 HG12 ILE A 963 -0.352 -3.911 3.861 1.00 0.00 H new ATOM 0 HG13 ILE A 963 -0.988 -5.525 3.614 1.00 0.00 H new ATOM 0 HG21 ILE A 963 0.190 -4.183 6.879 1.00 0.00 H new ATOM 0 HG22 ILE A 963 1.829 -4.867 6.758 1.00 0.00 H new ATOM 0 HG23 ILE A 963 1.354 -3.505 5.716 1.00 0.00 H new ATOM 0 HD11 ILE A 963 -2.662 -4.072 4.651 1.00 0.00 H new ATOM 0 HD12 ILE A 963 -2.205 -5.388 5.759 1.00 0.00 H new ATOM 0 HD13 ILE A 963 -1.559 -3.749 6.010 1.00 0.00 H new ATOM 816 N PRO A 964 2.941 -7.312 5.628 1.00 0.00 N ATOM 817 CA PRO A 964 4.093 -7.732 6.442 1.00 0.00 C ATOM 818 C PRO A 964 5.385 -7.849 5.634 1.00 0.00 C ATOM 819 O PRO A 964 6.479 -7.723 6.183 1.00 0.00 O ATOM 820 CB PRO A 964 3.679 -9.104 6.991 1.00 0.00 C ATOM 821 CG PRO A 964 2.564 -9.555 6.113 1.00 0.00 C ATOM 822 CD PRO A 964 1.858 -8.308 5.679 1.00 0.00 C ATOM 0 HA PRO A 964 4.315 -6.998 7.217 1.00 0.00 H new ATOM 0 HB2 PRO A 964 4.512 -9.807 6.963 1.00 0.00 H new ATOM 0 HB3 PRO A 964 3.358 -9.032 8.030 1.00 0.00 H new ATOM 0 HG2 PRO A 964 2.942 -10.110 5.254 1.00 0.00 H new ATOM 0 HG3 PRO A 964 1.888 -10.221 6.650 1.00 0.00 H new ATOM 0 HD2 PRO A 964 1.379 -8.433 4.708 1.00 0.00 H new ATOM 0 HD3 PRO A 964 1.078 -8.020 6.384 1.00 0.00 H new ATOM 830 N LEU A 965 5.258 -8.074 4.329 1.00 0.00 N ATOM 831 CA LEU A 965 6.427 -8.205 3.467 1.00 0.00 C ATOM 832 C LEU A 965 7.115 -6.861 3.286 1.00 0.00 C ATOM 833 O LEU A 965 8.346 -6.786 3.249 1.00 0.00 O ATOM 834 CB LEU A 965 6.045 -8.789 2.107 1.00 0.00 C ATOM 835 CG LEU A 965 5.652 -10.266 2.120 1.00 0.00 C ATOM 836 CD1 LEU A 965 5.408 -10.762 0.706 1.00 0.00 C ATOM 837 CD2 LEU A 965 6.731 -11.095 2.797 1.00 0.00 C ATOM 0 H LEU A 965 4.363 -8.169 3.849 1.00 0.00 H new ATOM 0 HA LEU A 965 7.122 -8.891 3.951 1.00 0.00 H new ATOM 0 HB2 LEU A 965 5.214 -8.212 1.702 1.00 0.00 H new ATOM 0 HB3 LEU A 965 6.885 -8.659 1.425 1.00 0.00 H new ATOM 0 HG LEU A 965 4.727 -10.374 2.687 1.00 0.00 H new ATOM 0 HD11 LEU A 965 5.129 -11.815 0.733 1.00 0.00 H new ATOM 0 HD12 LEU A 965 4.602 -10.185 0.252 1.00 0.00 H new ATOM 0 HD13 LEU A 965 6.317 -10.642 0.117 1.00 0.00 H new ATOM 0 HD21 LEU A 965 6.436 -12.144 2.798 1.00 0.00 H new ATOM 0 HD22 LEU A 965 7.670 -10.982 2.255 1.00 0.00 H new ATOM 0 HD23 LEU A 965 6.862 -10.754 3.824 1.00 0.00 H new ATOM 849 N LEU A 966 6.320 -5.802 3.177 1.00 0.00 N ATOM 850 CA LEU A 966 6.862 -4.453 3.102 1.00 0.00 C ATOM 851 C LEU A 966 7.695 -4.169 4.333 1.00 0.00 C ATOM 852 O LEU A 966 8.876 -3.839 4.242 1.00 0.00 O ATOM 853 CB LEU A 966 5.746 -3.412 3.021 1.00 0.00 C ATOM 854 CG LEU A 966 4.902 -3.427 1.754 1.00 0.00 C ATOM 855 CD1 LEU A 966 3.833 -2.353 1.841 1.00 0.00 C ATOM 856 CD2 LEU A 966 5.775 -3.213 0.527 1.00 0.00 C ATOM 0 H LEU A 966 5.302 -5.853 3.139 1.00 0.00 H new ATOM 0 HA LEU A 966 7.474 -4.389 2.202 1.00 0.00 H new ATOM 0 HB2 LEU A 966 5.084 -3.553 3.875 1.00 0.00 H new ATOM 0 HB3 LEU A 966 6.192 -2.423 3.123 1.00 0.00 H new ATOM 0 HG LEU A 966 4.421 -4.401 1.660 1.00 0.00 H new ATOM 0 HD11 LEU A 966 3.230 -2.365 0.933 1.00 0.00 H new ATOM 0 HD12 LEU A 966 3.194 -2.544 2.703 1.00 0.00 H new ATOM 0 HD13 LEU A 966 4.306 -1.377 1.949 1.00 0.00 H new ATOM 0 HD21 LEU A 966 5.154 -3.227 -0.368 1.00 0.00 H new ATOM 0 HD22 LEU A 966 6.280 -2.250 0.603 1.00 0.00 H new ATOM 0 HD23 LEU A 966 6.518 -4.008 0.466 1.00 0.00 H new ATOM 868 N VAL A 967 7.063 -4.332 5.486 1.00 0.00 N ATOM 869 CA VAL A 967 7.686 -4.031 6.765 1.00 0.00 C ATOM 870 C VAL A 967 8.915 -4.910 6.992 1.00 0.00 C ATOM 871 O VAL A 967 9.913 -4.458 7.559 1.00 0.00 O ATOM 872 CB VAL A 967 6.678 -4.207 7.915 1.00 0.00 C ATOM 873 CG1 VAL A 967 7.273 -3.743 9.235 1.00 0.00 C ATOM 874 CG2 VAL A 967 5.393 -3.449 7.604 1.00 0.00 C ATOM 0 H VAL A 967 6.106 -4.676 5.561 1.00 0.00 H new ATOM 0 HA VAL A 967 8.010 -2.990 6.746 1.00 0.00 H new ATOM 0 HB VAL A 967 6.443 -5.267 8.011 1.00 0.00 H new ATOM 0 HG11 VAL A 967 6.541 -3.878 10.031 1.00 0.00 H new ATOM 0 HG12 VAL A 967 8.164 -4.329 9.458 1.00 0.00 H new ATOM 0 HG13 VAL A 967 7.541 -2.689 9.163 1.00 0.00 H new ATOM 0 HG21 VAL A 967 4.686 -3.580 8.423 1.00 0.00 H new ATOM 0 HG22 VAL A 967 5.616 -2.389 7.483 1.00 0.00 H new ATOM 0 HG23 VAL A 967 4.956 -3.836 6.683 1.00 0.00 H new ATOM 884 N GLN A 968 8.847 -6.156 6.530 1.00 0.00 N ATOM 885 CA GLN A 968 9.998 -7.048 6.570 1.00 0.00 C ATOM 886 C GLN A 968 11.170 -6.426 5.822 1.00 0.00 C ATOM 887 O GLN A 968 12.290 -6.363 6.337 1.00 0.00 O ATOM 888 CB GLN A 968 9.654 -8.404 5.952 1.00 0.00 C ATOM 889 CG GLN A 968 10.848 -9.339 5.852 1.00 0.00 C ATOM 890 CD GLN A 968 10.528 -10.628 5.127 1.00 0.00 C ATOM 891 OE1 GLN A 968 9.661 -10.668 4.253 1.00 0.00 O ATOM 892 NE2 GLN A 968 11.235 -11.689 5.477 1.00 0.00 N ATOM 0 H GLN A 968 8.007 -6.569 6.124 1.00 0.00 H new ATOM 0 HA GLN A 968 10.276 -7.200 7.613 1.00 0.00 H new ATOM 0 HB2 GLN A 968 8.877 -8.881 6.549 1.00 0.00 H new ATOM 0 HB3 GLN A 968 9.240 -8.247 4.956 1.00 0.00 H new ATOM 0 HG2 GLN A 968 11.660 -8.829 5.334 1.00 0.00 H new ATOM 0 HG3 GLN A 968 11.206 -9.571 6.855 1.00 0.00 H new ATOM 0 HE21 GLN A 968 11.944 -11.612 6.206 1.00 0.00 H new ATOM 0 HE22 GLN A 968 11.072 -12.585 5.018 1.00 0.00 H new ATOM 901 N GLY A 969 10.900 -5.960 4.609 1.00 0.00 N ATOM 902 CA GLY A 969 11.923 -5.308 3.818 1.00 0.00 C ATOM 903 C GLY A 969 12.443 -4.052 4.486 1.00 0.00 C ATOM 904 O GLY A 969 13.648 -3.799 4.490 1.00 0.00 O ATOM 0 H GLY A 969 9.987 -6.023 4.159 1.00 0.00 H new ATOM 0 HA2 GLY A 969 12.749 -5.999 3.653 1.00 0.00 H new ATOM 0 HA3 GLY A 969 11.518 -5.056 2.838 1.00 0.00 H new ATOM 908 N VAL A 970 11.526 -3.269 5.056 1.00 0.00 N ATOM 909 CA VAL A 970 11.888 -2.040 5.758 1.00 0.00 C ATOM 910 C VAL A 970 12.923 -2.323 6.840 1.00 0.00 C ATOM 911 O VAL A 970 14.006 -1.737 6.847 1.00 0.00 O ATOM 912 CB VAL A 970 10.661 -1.363 6.418 1.00 0.00 C ATOM 913 CG1 VAL A 970 11.055 -0.036 7.046 1.00 0.00 C ATOM 914 CG2 VAL A 970 9.534 -1.153 5.417 1.00 0.00 C ATOM 0 H VAL A 970 10.525 -3.466 5.044 1.00 0.00 H new ATOM 0 HA VAL A 970 12.301 -1.365 5.008 1.00 0.00 H new ATOM 0 HB VAL A 970 10.299 -2.031 7.199 1.00 0.00 H new ATOM 0 HG11 VAL A 970 10.179 0.424 7.504 1.00 0.00 H new ATOM 0 HG12 VAL A 970 11.816 -0.206 7.807 1.00 0.00 H new ATOM 0 HG13 VAL A 970 11.452 0.627 6.277 1.00 0.00 H new ATOM 0 HG21 VAL A 970 8.690 -0.676 5.915 1.00 0.00 H new ATOM 0 HG22 VAL A 970 9.883 -0.516 4.604 1.00 0.00 H new ATOM 0 HG23 VAL A 970 9.221 -2.116 5.014 1.00 0.00 H new ATOM 924 N ARG A 971 12.593 -3.249 7.735 1.00 0.00 N ATOM 925 CA ARG A 971 13.459 -3.578 8.863 1.00 0.00 C ATOM 926 C ARG A 971 14.805 -4.111 8.384 1.00 0.00 C ATOM 927 O ARG A 971 15.835 -3.882 9.023 1.00 0.00 O ATOM 928 CB ARG A 971 12.786 -4.608 9.769 1.00 0.00 C ATOM 929 CG ARG A 971 11.424 -4.173 10.282 1.00 0.00 C ATOM 930 CD ARG A 971 10.759 -5.265 11.105 1.00 0.00 C ATOM 931 NE ARG A 971 10.674 -6.531 10.376 1.00 0.00 N ATOM 932 CZ ARG A 971 9.547 -7.219 10.195 1.00 0.00 C ATOM 933 NH1 ARG A 971 8.390 -6.738 10.639 1.00 0.00 N ATOM 934 NH2 ARG A 971 9.582 -8.388 9.567 1.00 0.00 N ATOM 0 H ARG A 971 11.727 -3.788 7.701 1.00 0.00 H new ATOM 0 HA ARG A 971 13.632 -2.663 9.429 1.00 0.00 H new ATOM 0 HB2 ARG A 971 12.676 -5.544 9.221 1.00 0.00 H new ATOM 0 HB3 ARG A 971 13.437 -4.811 10.619 1.00 0.00 H new ATOM 0 HG2 ARG A 971 11.534 -3.275 10.890 1.00 0.00 H new ATOM 0 HG3 ARG A 971 10.784 -3.911 9.439 1.00 0.00 H new ATOM 0 HD2 ARG A 971 11.320 -5.416 12.027 1.00 0.00 H new ATOM 0 HD3 ARG A 971 9.757 -4.944 11.390 1.00 0.00 H new ATOM 0 HE ARG A 971 11.534 -6.912 9.980 1.00 0.00 H new ATOM 0 HH11 ARG A 971 8.362 -5.839 11.120 1.00 0.00 H new ATOM 0 HH12 ARG A 971 7.530 -7.268 10.498 1.00 0.00 H new ATOM 0 HH21 ARG A 971 10.469 -8.757 9.225 1.00 0.00 H new ATOM 0 HH22 ARG A 971 8.722 -8.917 9.427 1.00 0.00 H new ATOM 948 N GLY A 972 14.792 -4.813 7.259 1.00 0.00 N ATOM 949 CA GLY A 972 16.020 -5.344 6.700 1.00 0.00 C ATOM 950 C GLY A 972 16.929 -4.249 6.185 1.00 0.00 C ATOM 951 O GLY A 972 18.136 -4.269 6.428 1.00 0.00 O ATOM 0 H GLY A 972 13.951 -5.025 6.722 1.00 0.00 H new ATOM 0 HA2 GLY A 972 16.544 -5.922 7.461 1.00 0.00 H new ATOM 0 HA3 GLY A 972 15.781 -6.029 5.887 1.00 0.00 H new ATOM 955 N SER A 973 16.344 -3.283 5.489 1.00 0.00 N ATOM 956 CA SER A 973 17.101 -2.175 4.921 1.00 0.00 C ATOM 957 C SER A 973 17.684 -1.292 6.018 1.00 0.00 C ATOM 958 O SER A 973 18.814 -0.825 5.909 1.00 0.00 O ATOM 959 CB SER A 973 16.208 -1.349 3.997 1.00 0.00 C ATOM 960 OG SER A 973 16.929 -0.292 3.387 1.00 0.00 O ATOM 0 H SER A 973 15.342 -3.245 5.303 1.00 0.00 H new ATOM 0 HA SER A 973 17.928 -2.587 4.343 1.00 0.00 H new ATOM 0 HB2 SER A 973 15.784 -1.994 3.227 1.00 0.00 H new ATOM 0 HB3 SER A 973 15.373 -0.940 4.566 1.00 0.00 H new ATOM 0 HG SER A 973 16.908 0.497 3.968 1.00 0.00 H new ATOM 966 N GLN A 974 16.915 -1.072 7.078 1.00 0.00 N ATOM 967 CA GLN A 974 17.373 -0.243 8.190 1.00 0.00 C ATOM 968 C GLN A 974 18.639 -0.825 8.806 1.00 0.00 C ATOM 969 O GLN A 974 19.555 -0.092 9.183 1.00 0.00 O ATOM 970 CB GLN A 974 16.296 -0.132 9.265 1.00 0.00 C ATOM 971 CG GLN A 974 14.964 0.378 8.753 1.00 0.00 C ATOM 972 CD GLN A 974 13.908 0.429 9.838 1.00 0.00 C ATOM 973 OE1 GLN A 974 14.048 -0.423 10.840 1.00 0.00 O flip ATOM 974 NE2 GLN A 974 12.981 1.238 9.782 1.00 0.00 N flip ATOM 0 H GLN A 974 15.976 -1.453 7.192 1.00 0.00 H new ATOM 0 HA GLN A 974 17.587 0.751 7.796 1.00 0.00 H new ATOM 0 HB2 GLN A 974 16.148 -1.112 9.719 1.00 0.00 H new ATOM 0 HB3 GLN A 974 16.650 0.534 10.052 1.00 0.00 H new ATOM 0 HG2 GLN A 974 15.097 1.375 8.333 1.00 0.00 H new ATOM 0 HG3 GLN A 974 14.619 -0.266 7.944 1.00 0.00 H new ATOM 0 HE21 GLN A 974 12.910 1.878 8.991 1.00 0.00 H new ATOM 0 HE22 GLN A 974 12.285 1.268 10.527 1.00 0.00 H new ATOM 983 N ALA A 975 18.681 -2.148 8.894 1.00 0.00 N ATOM 984 CA ALA A 975 19.819 -2.839 9.476 1.00 0.00 C ATOM 985 C ALA A 975 20.995 -2.865 8.508 1.00 0.00 C ATOM 986 O ALA A 975 22.151 -2.799 8.921 1.00 0.00 O ATOM 987 CB ALA A 975 19.428 -4.254 9.874 1.00 0.00 C ATOM 0 H ALA A 975 17.936 -2.764 8.568 1.00 0.00 H new ATOM 0 HA ALA A 975 20.128 -2.295 10.369 1.00 0.00 H new ATOM 0 HB1 ALA A 975 20.290 -4.761 10.309 1.00 0.00 H new ATOM 0 HB2 ALA A 975 18.622 -4.216 10.606 1.00 0.00 H new ATOM 0 HB3 ALA A 975 19.092 -4.800 8.993 1.00 0.00 H new ATOM 993 N GLN A 976 20.693 -2.954 7.220 1.00 0.00 N ATOM 994 CA GLN A 976 21.726 -3.028 6.197 1.00 0.00 C ATOM 995 C GLN A 976 21.518 -1.948 5.135 1.00 0.00 C ATOM 996 O GLN A 976 20.753 -2.136 4.191 1.00 0.00 O ATOM 997 CB GLN A 976 21.722 -4.412 5.549 1.00 0.00 C ATOM 998 CG GLN A 976 21.960 -5.547 6.532 1.00 0.00 C ATOM 999 CD GLN A 976 21.933 -6.908 5.871 1.00 0.00 C ATOM 1000 OE1 GLN A 976 20.882 -7.541 5.766 1.00 0.00 O ATOM 1001 NE2 GLN A 976 23.089 -7.370 5.427 1.00 0.00 N ATOM 0 H GLN A 976 19.739 -2.977 6.859 1.00 0.00 H new ATOM 0 HA GLN A 976 22.693 -2.859 6.671 1.00 0.00 H new ATOM 0 HB2 GLN A 976 20.765 -4.568 5.052 1.00 0.00 H new ATOM 0 HB3 GLN A 976 22.491 -4.444 4.777 1.00 0.00 H new ATOM 0 HG2 GLN A 976 22.924 -5.404 7.020 1.00 0.00 H new ATOM 0 HG3 GLN A 976 21.200 -5.512 7.312 1.00 0.00 H new ATOM 0 HE21 GLN A 976 23.936 -6.812 5.535 1.00 0.00 H new ATOM 0 HE22 GLN A 976 23.134 -8.284 4.977 1.00 0.00 H new ATOM 1010 N PRO A 977 22.207 -0.802 5.283 1.00 0.00 N ATOM 1011 CA PRO A 977 22.038 0.365 4.396 1.00 0.00 C ATOM 1012 C PRO A 977 22.443 0.092 2.946 1.00 0.00 C ATOM 1013 O PRO A 977 22.016 0.800 2.028 1.00 0.00 O ATOM 1014 CB PRO A 977 22.957 1.424 5.014 1.00 0.00 C ATOM 1015 CG PRO A 977 23.940 0.657 5.828 1.00 0.00 C ATOM 1016 CD PRO A 977 23.203 -0.547 6.337 1.00 0.00 C ATOM 0 HA PRO A 977 20.991 0.662 4.335 1.00 0.00 H new ATOM 0 HB2 PRO A 977 23.456 2.011 4.243 1.00 0.00 H new ATOM 0 HB3 PRO A 977 22.393 2.123 5.632 1.00 0.00 H new ATOM 0 HG2 PRO A 977 24.800 0.363 5.226 1.00 0.00 H new ATOM 0 HG3 PRO A 977 24.319 1.260 6.653 1.00 0.00 H new ATOM 0 HD2 PRO A 977 23.870 -1.398 6.476 1.00 0.00 H new ATOM 0 HD3 PRO A 977 22.730 -0.352 7.300 1.00 0.00 H new ATOM 1024 N ASP A 978 23.274 -0.919 2.738 1.00 0.00 N ATOM 1025 CA ASP A 978 23.695 -1.292 1.396 1.00 0.00 C ATOM 1026 C ASP A 978 23.968 -2.784 1.328 1.00 0.00 C ATOM 1027 O ASP A 978 25.101 -3.231 1.500 1.00 0.00 O ATOM 1028 CB ASP A 978 24.939 -0.510 0.970 1.00 0.00 C ATOM 1029 CG ASP A 978 25.284 -0.722 -0.491 1.00 0.00 C ATOM 1030 OD1 ASP A 978 24.748 0.005 -1.353 1.00 0.00 O ATOM 1031 OD2 ASP A 978 26.093 -1.628 -0.783 1.00 0.00 O ATOM 0 H ASP A 978 23.670 -1.495 3.481 1.00 0.00 H new ATOM 0 HA ASP A 978 22.887 -1.045 0.708 1.00 0.00 H new ATOM 0 HB2 ASP A 978 24.777 0.552 1.151 1.00 0.00 H new ATOM 0 HB3 ASP A 978 25.784 -0.813 1.588 1.00 0.00 H new ATOM 1036 N SER A 979 22.912 -3.554 1.132 1.00 0.00 N ATOM 1037 CA SER A 979 23.017 -4.992 1.057 1.00 0.00 C ATOM 1038 C SER A 979 21.978 -5.564 0.099 1.00 0.00 C ATOM 1039 O SER A 979 20.820 -5.135 0.104 1.00 0.00 O ATOM 1040 CB SER A 979 22.821 -5.582 2.445 1.00 0.00 C ATOM 1041 OG SER A 979 23.925 -5.289 3.285 1.00 0.00 O ATOM 0 H SER A 979 21.963 -3.197 1.021 1.00 0.00 H new ATOM 0 HA SER A 979 24.006 -5.253 0.680 1.00 0.00 H new ATOM 0 HB2 SER A 979 21.908 -5.184 2.887 1.00 0.00 H new ATOM 0 HB3 SER A 979 22.694 -6.662 2.370 1.00 0.00 H new ATOM 0 HG SER A 979 24.335 -6.125 3.590 1.00 0.00 H new ATOM 1047 N PRO A 980 22.387 -6.531 -0.741 1.00 0.00 N ATOM 1048 CA PRO A 980 21.485 -7.219 -1.670 1.00 0.00 C ATOM 1049 C PRO A 980 20.250 -7.782 -0.975 1.00 0.00 C ATOM 1050 O PRO A 980 19.129 -7.575 -1.434 1.00 0.00 O ATOM 1051 CB PRO A 980 22.346 -8.352 -2.230 1.00 0.00 C ATOM 1052 CG PRO A 980 23.741 -7.854 -2.114 1.00 0.00 C ATOM 1053 CD PRO A 980 23.775 -7.013 -0.868 1.00 0.00 C ATOM 0 HA PRO A 980 21.097 -6.543 -2.432 1.00 0.00 H new ATOM 0 HB2 PRO A 980 22.206 -9.273 -1.665 1.00 0.00 H new ATOM 0 HB3 PRO A 980 22.088 -8.571 -3.266 1.00 0.00 H new ATOM 0 HG2 PRO A 980 24.447 -8.682 -2.046 1.00 0.00 H new ATOM 0 HG3 PRO A 980 24.021 -7.267 -2.989 1.00 0.00 H new ATOM 0 HD2 PRO A 980 24.079 -7.596 0.002 1.00 0.00 H new ATOM 0 HD3 PRO A 980 24.480 -6.187 -0.960 1.00 0.00 H new ATOM 1061 N SER A 981 20.455 -8.468 0.145 1.00 0.00 N ATOM 1062 CA SER A 981 19.355 -9.090 0.878 1.00 0.00 C ATOM 1063 C SER A 981 18.361 -8.048 1.393 1.00 0.00 C ATOM 1064 O SER A 981 17.155 -8.292 1.426 1.00 0.00 O ATOM 1065 CB SER A 981 19.905 -9.921 2.038 1.00 0.00 C ATOM 1066 OG SER A 981 20.722 -10.976 1.557 1.00 0.00 O ATOM 0 H SER A 981 21.373 -8.608 0.566 1.00 0.00 H new ATOM 0 HA SER A 981 18.819 -9.743 0.190 1.00 0.00 H new ATOM 0 HB2 SER A 981 20.483 -9.283 2.707 1.00 0.00 H new ATOM 0 HB3 SER A 981 19.080 -10.330 2.622 1.00 0.00 H new ATOM 0 HG SER A 981 21.066 -11.495 2.314 1.00 0.00 H new ATOM 1072 N ALA A 982 18.867 -6.884 1.778 1.00 0.00 N ATOM 1073 CA ALA A 982 18.017 -5.814 2.281 1.00 0.00 C ATOM 1074 C ALA A 982 17.205 -5.198 1.149 1.00 0.00 C ATOM 1075 O ALA A 982 15.987 -5.039 1.252 1.00 0.00 O ATOM 1076 CB ALA A 982 18.861 -4.754 2.970 1.00 0.00 C ATOM 0 H ALA A 982 19.861 -6.657 1.752 1.00 0.00 H new ATOM 0 HA ALA A 982 17.323 -6.234 3.009 1.00 0.00 H new ATOM 0 HB1 ALA A 982 18.214 -3.959 3.342 1.00 0.00 H new ATOM 0 HB2 ALA A 982 19.400 -5.203 3.804 1.00 0.00 H new ATOM 0 HB3 ALA A 982 19.575 -4.338 2.259 1.00 0.00 H new ATOM 1082 N GLN A 983 17.889 -4.869 0.060 1.00 0.00 N ATOM 1083 CA GLN A 983 17.250 -4.249 -1.094 1.00 0.00 C ATOM 1084 C GLN A 983 16.267 -5.203 -1.765 1.00 0.00 C ATOM 1085 O GLN A 983 15.143 -4.819 -2.083 1.00 0.00 O ATOM 1086 CB GLN A 983 18.305 -3.785 -2.096 1.00 0.00 C ATOM 1087 CG GLN A 983 19.099 -2.582 -1.617 1.00 0.00 C ATOM 1088 CD GLN A 983 20.222 -2.201 -2.559 1.00 0.00 C ATOM 1089 OE1 GLN A 983 20.152 -2.449 -3.763 1.00 0.00 O ATOM 1090 NE2 GLN A 983 21.257 -1.576 -2.021 1.00 0.00 N ATOM 0 H GLN A 983 18.892 -5.022 -0.048 1.00 0.00 H new ATOM 0 HA GLN A 983 16.688 -3.384 -0.742 1.00 0.00 H new ATOM 0 HB2 GLN A 983 18.991 -4.608 -2.298 1.00 0.00 H new ATOM 0 HB3 GLN A 983 17.817 -3.538 -3.039 1.00 0.00 H new ATOM 0 HG2 GLN A 983 18.426 -1.732 -1.500 1.00 0.00 H new ATOM 0 HG3 GLN A 983 19.515 -2.797 -0.633 1.00 0.00 H new ATOM 0 HE21 GLN A 983 21.275 -1.390 -1.018 1.00 0.00 H new ATOM 0 HE22 GLN A 983 22.036 -1.280 -2.609 1.00 0.00 H new ATOM 1099 N LEU A 984 16.687 -6.449 -1.959 1.00 0.00 N ATOM 1100 CA LEU A 984 15.866 -7.450 -2.608 1.00 0.00 C ATOM 1101 C LEU A 984 14.577 -7.694 -1.828 1.00 0.00 C ATOM 1102 O LEU A 984 13.508 -7.857 -2.417 1.00 0.00 O ATOM 1103 CB LEU A 984 16.671 -8.736 -2.731 1.00 0.00 C ATOM 1104 CG LEU A 984 15.936 -9.930 -3.316 1.00 0.00 C ATOM 1105 CD1 LEU A 984 15.555 -9.679 -4.769 1.00 0.00 C ATOM 1106 CD2 LEU A 984 16.809 -11.162 -3.188 1.00 0.00 C ATOM 0 H LEU A 984 17.605 -6.787 -1.669 1.00 0.00 H new ATOM 0 HA LEU A 984 15.583 -7.096 -3.599 1.00 0.00 H new ATOM 0 HB2 LEU A 984 17.546 -8.535 -3.349 1.00 0.00 H new ATOM 0 HB3 LEU A 984 17.036 -9.009 -1.741 1.00 0.00 H new ATOM 0 HG LEU A 984 15.010 -10.087 -2.762 1.00 0.00 H new ATOM 0 HD11 LEU A 984 15.030 -10.549 -5.163 1.00 0.00 H new ATOM 0 HD12 LEU A 984 14.906 -8.806 -4.829 1.00 0.00 H new ATOM 0 HD13 LEU A 984 16.456 -9.502 -5.356 1.00 0.00 H new ATOM 0 HD21 LEU A 984 16.287 -12.023 -3.606 1.00 0.00 H new ATOM 0 HD22 LEU A 984 17.742 -11.005 -3.730 1.00 0.00 H new ATOM 0 HD23 LEU A 984 17.027 -11.346 -2.136 1.00 0.00 H new ATOM 1118 N ALA A 985 14.686 -7.707 -0.502 1.00 0.00 N ATOM 1119 CA ALA A 985 13.525 -7.897 0.358 1.00 0.00 C ATOM 1120 C ALA A 985 12.514 -6.774 0.158 1.00 0.00 C ATOM 1121 O ALA A 985 11.309 -7.013 0.118 1.00 0.00 O ATOM 1122 CB ALA A 985 13.947 -7.977 1.817 1.00 0.00 C ATOM 0 H ALA A 985 15.567 -7.588 -0.001 1.00 0.00 H new ATOM 0 HA ALA A 985 13.050 -8.839 0.083 1.00 0.00 H new ATOM 0 HB1 ALA A 985 13.066 -8.119 2.443 1.00 0.00 H new ATOM 0 HB2 ALA A 985 14.628 -8.817 1.953 1.00 0.00 H new ATOM 0 HB3 ALA A 985 14.449 -7.053 2.102 1.00 0.00 H new ATOM 1128 N LEU A 986 13.014 -5.552 0.021 1.00 0.00 N ATOM 1129 CA LEU A 986 12.157 -4.396 -0.203 1.00 0.00 C ATOM 1130 C LEU A 986 11.570 -4.398 -1.608 1.00 0.00 C ATOM 1131 O LEU A 986 10.354 -4.357 -1.774 1.00 0.00 O ATOM 1132 CB LEU A 986 12.929 -3.099 0.033 1.00 0.00 C ATOM 1133 CG LEU A 986 12.817 -2.528 1.444 1.00 0.00 C ATOM 1134 CD1 LEU A 986 13.764 -1.356 1.619 1.00 0.00 C ATOM 1135 CD2 LEU A 986 11.384 -2.098 1.726 1.00 0.00 C ATOM 0 H LEU A 986 14.010 -5.337 0.061 1.00 0.00 H new ATOM 0 HA LEU A 986 11.335 -4.459 0.510 1.00 0.00 H new ATOM 0 HB2 LEU A 986 13.982 -3.275 -0.189 1.00 0.00 H new ATOM 0 HB3 LEU A 986 12.575 -2.350 -0.675 1.00 0.00 H new ATOM 0 HG LEU A 986 13.095 -3.305 2.156 1.00 0.00 H new ATOM 0 HD11 LEU A 986 13.671 -0.961 2.631 1.00 0.00 H new ATOM 0 HD12 LEU A 986 14.789 -1.688 1.452 1.00 0.00 H new ATOM 0 HD13 LEU A 986 13.514 -0.576 0.900 1.00 0.00 H new ATOM 0 HD21 LEU A 986 11.318 -1.693 2.736 1.00 0.00 H new ATOM 0 HD22 LEU A 986 11.085 -1.334 1.008 1.00 0.00 H new ATOM 0 HD23 LEU A 986 10.722 -2.959 1.637 1.00 0.00 H new ATOM 1147 N ILE A 987 12.439 -4.460 -2.612 1.00 0.00 N ATOM 1148 CA ILE A 987 12.018 -4.357 -4.009 1.00 0.00 C ATOM 1149 C ILE A 987 10.983 -5.422 -4.361 1.00 0.00 C ATOM 1150 O ILE A 987 9.916 -5.107 -4.892 1.00 0.00 O ATOM 1151 CB ILE A 987 13.223 -4.472 -4.969 1.00 0.00 C ATOM 1152 CG1 ILE A 987 14.241 -3.364 -4.677 1.00 0.00 C ATOM 1153 CG2 ILE A 987 12.761 -4.400 -6.419 1.00 0.00 C ATOM 1154 CD1 ILE A 987 15.528 -3.494 -5.461 1.00 0.00 C ATOM 0 H ILE A 987 13.444 -4.582 -2.485 1.00 0.00 H new ATOM 0 HA ILE A 987 11.563 -3.374 -4.129 1.00 0.00 H new ATOM 0 HB ILE A 987 13.702 -5.438 -4.809 1.00 0.00 H new ATOM 0 HG12 ILE A 987 13.787 -2.399 -4.900 1.00 0.00 H new ATOM 0 HG13 ILE A 987 14.473 -3.369 -3.612 1.00 0.00 H new ATOM 0 HG21 ILE A 987 13.624 -4.483 -7.080 1.00 0.00 H new ATOM 0 HG22 ILE A 987 12.069 -5.217 -6.621 1.00 0.00 H new ATOM 0 HG23 ILE A 987 12.259 -3.448 -6.594 1.00 0.00 H new ATOM 0 HD11 ILE A 987 16.197 -2.674 -5.200 1.00 0.00 H new ATOM 0 HD12 ILE A 987 16.006 -4.443 -5.220 1.00 0.00 H new ATOM 0 HD13 ILE A 987 15.309 -3.458 -6.528 1.00 0.00 H new ATOM 1166 N ALA A 988 11.287 -6.676 -4.040 1.00 0.00 N ATOM 1167 CA ALA A 988 10.392 -7.780 -4.359 1.00 0.00 C ATOM 1168 C ALA A 988 9.048 -7.618 -3.657 1.00 0.00 C ATOM 1169 O ALA A 988 7.995 -7.773 -4.274 1.00 0.00 O ATOM 1170 CB ALA A 988 11.030 -9.108 -3.978 1.00 0.00 C ATOM 0 H ALA A 988 12.144 -6.951 -3.561 1.00 0.00 H new ATOM 0 HA ALA A 988 10.216 -7.770 -5.435 1.00 0.00 H new ATOM 0 HB1 ALA A 988 10.348 -9.923 -4.223 1.00 0.00 H new ATOM 0 HB2 ALA A 988 11.961 -9.236 -4.530 1.00 0.00 H new ATOM 0 HB3 ALA A 988 11.238 -9.118 -2.908 1.00 0.00 H new ATOM 1176 N ALA A 989 9.094 -7.287 -2.372 1.00 0.00 N ATOM 1177 CA ALA A 989 7.883 -7.143 -1.573 1.00 0.00 C ATOM 1178 C ALA A 989 7.045 -5.956 -2.031 1.00 0.00 C ATOM 1179 O ALA A 989 5.828 -6.063 -2.157 1.00 0.00 O ATOM 1180 CB ALA A 989 8.233 -7.000 -0.103 1.00 0.00 C ATOM 0 H ALA A 989 9.959 -7.113 -1.860 1.00 0.00 H new ATOM 0 HA ALA A 989 7.288 -8.045 -1.713 1.00 0.00 H new ATOM 0 HB1 ALA A 989 7.318 -6.893 0.480 1.00 0.00 H new ATOM 0 HB2 ALA A 989 8.774 -7.885 0.230 1.00 0.00 H new ATOM 0 HB3 ALA A 989 8.858 -6.118 0.038 1.00 0.00 H new ATOM 1186 N SER A 990 7.703 -4.832 -2.288 1.00 0.00 N ATOM 1187 CA SER A 990 7.017 -3.615 -2.700 1.00 0.00 C ATOM 1188 C SER A 990 6.212 -3.843 -3.974 1.00 0.00 C ATOM 1189 O SER A 990 5.022 -3.541 -4.028 1.00 0.00 O ATOM 1190 CB SER A 990 8.022 -2.482 -2.907 1.00 0.00 C ATOM 1191 OG SER A 990 8.759 -2.235 -1.721 1.00 0.00 O ATOM 0 H SER A 990 8.716 -4.739 -2.218 1.00 0.00 H new ATOM 0 HA SER A 990 6.325 -3.334 -1.906 1.00 0.00 H new ATOM 0 HB2 SER A 990 8.705 -2.740 -3.717 1.00 0.00 H new ATOM 0 HB3 SER A 990 7.497 -1.576 -3.209 1.00 0.00 H new ATOM 0 HG SER A 990 9.533 -2.836 -1.686 1.00 0.00 H new ATOM 1197 N GLN A 991 6.857 -4.411 -4.985 1.00 0.00 N ATOM 1198 CA GLN A 991 6.206 -4.653 -6.266 1.00 0.00 C ATOM 1199 C GLN A 991 5.092 -5.689 -6.122 1.00 0.00 C ATOM 1200 O GLN A 991 4.057 -5.606 -6.787 1.00 0.00 O ATOM 1201 CB GLN A 991 7.237 -5.099 -7.303 1.00 0.00 C ATOM 1202 CG GLN A 991 8.333 -4.067 -7.530 1.00 0.00 C ATOM 1203 CD GLN A 991 9.393 -4.533 -8.507 1.00 0.00 C ATOM 1204 OE1 GLN A 991 9.663 -5.727 -8.629 1.00 0.00 O ATOM 1205 NE2 GLN A 991 10.003 -3.593 -9.209 1.00 0.00 N ATOM 0 H GLN A 991 7.830 -4.713 -4.943 1.00 0.00 H new ATOM 0 HA GLN A 991 5.752 -3.723 -6.608 1.00 0.00 H new ATOM 0 HB2 GLN A 991 7.689 -6.036 -6.979 1.00 0.00 H new ATOM 0 HB3 GLN A 991 6.732 -5.299 -8.248 1.00 0.00 H new ATOM 0 HG2 GLN A 991 7.885 -3.145 -7.901 1.00 0.00 H new ATOM 0 HG3 GLN A 991 8.805 -3.831 -6.576 1.00 0.00 H new ATOM 0 HE21 GLN A 991 9.750 -2.614 -9.078 1.00 0.00 H new ATOM 0 HE22 GLN A 991 10.727 -3.847 -9.881 1.00 0.00 H new ATOM 1214 N SER A 992 5.297 -6.647 -5.225 1.00 0.00 N ATOM 1215 CA SER A 992 4.304 -7.661 -4.943 1.00 0.00 C ATOM 1216 C SER A 992 3.113 -7.068 -4.195 1.00 0.00 C ATOM 1217 O SER A 992 2.004 -7.583 -4.274 1.00 0.00 O ATOM 1218 CB SER A 992 4.944 -8.772 -4.123 1.00 0.00 C ATOM 1219 OG SER A 992 6.001 -9.389 -4.841 1.00 0.00 O ATOM 0 H SER A 992 6.154 -6.737 -4.679 1.00 0.00 H new ATOM 0 HA SER A 992 3.935 -8.067 -5.885 1.00 0.00 H new ATOM 0 HB2 SER A 992 5.325 -8.365 -3.187 1.00 0.00 H new ATOM 0 HB3 SER A 992 4.192 -9.517 -3.864 1.00 0.00 H new ATOM 0 HG SER A 992 6.859 -9.139 -4.439 1.00 0.00 H new ATOM 1225 N PHE A 993 3.353 -5.982 -3.471 1.00 0.00 N ATOM 1226 CA PHE A 993 2.298 -5.299 -2.736 1.00 0.00 C ATOM 1227 C PHE A 993 1.521 -4.369 -3.663 1.00 0.00 C ATOM 1228 O PHE A 993 0.316 -4.187 -3.510 1.00 0.00 O ATOM 1229 CB PHE A 993 2.903 -4.503 -1.575 1.00 0.00 C ATOM 1230 CG PHE A 993 1.893 -3.776 -0.733 1.00 0.00 C ATOM 1231 CD1 PHE A 993 1.264 -4.411 0.324 1.00 0.00 C ATOM 1232 CD2 PHE A 993 1.568 -2.460 -1.005 1.00 0.00 C ATOM 1233 CE1 PHE A 993 0.334 -3.745 1.096 1.00 0.00 C ATOM 1234 CE2 PHE A 993 0.639 -1.787 -0.237 1.00 0.00 C ATOM 1235 CZ PHE A 993 0.033 -2.432 0.830 1.00 0.00 C ATOM 0 H PHE A 993 4.274 -5.554 -3.377 1.00 0.00 H new ATOM 0 HA PHE A 993 1.610 -6.043 -2.336 1.00 0.00 H new ATOM 0 HB2 PHE A 993 3.468 -5.184 -0.938 1.00 0.00 H new ATOM 0 HB3 PHE A 993 3.613 -3.780 -1.976 1.00 0.00 H new ATOM 0 HD1 PHE A 993 1.504 -5.440 0.547 1.00 0.00 H new ATOM 0 HD2 PHE A 993 2.047 -1.952 -1.829 1.00 0.00 H new ATOM 0 HE1 PHE A 993 -0.157 -4.257 1.910 1.00 0.00 H new ATOM 0 HE2 PHE A 993 0.385 -0.763 -0.466 1.00 0.00 H new ATOM 0 HZ PHE A 993 -0.675 -1.903 1.451 1.00 0.00 H new ATOM 1245 N LEU A 994 2.228 -3.801 -4.632 1.00 0.00 N ATOM 1246 CA LEU A 994 1.641 -2.853 -5.577 1.00 0.00 C ATOM 1247 C LEU A 994 0.470 -3.459 -6.336 1.00 0.00 C ATOM 1248 O LEU A 994 -0.540 -2.793 -6.566 1.00 0.00 O ATOM 1249 CB LEU A 994 2.697 -2.392 -6.578 1.00 0.00 C ATOM 1250 CG LEU A 994 3.872 -1.625 -5.981 1.00 0.00 C ATOM 1251 CD1 LEU A 994 4.966 -1.458 -7.017 1.00 0.00 C ATOM 1252 CD2 LEU A 994 3.414 -0.270 -5.463 1.00 0.00 C ATOM 0 H LEU A 994 3.220 -3.982 -4.787 1.00 0.00 H new ATOM 0 HA LEU A 994 1.273 -2.006 -4.999 1.00 0.00 H new ATOM 0 HB2 LEU A 994 3.084 -3.266 -7.101 1.00 0.00 H new ATOM 0 HB3 LEU A 994 2.215 -1.761 -7.325 1.00 0.00 H new ATOM 0 HG LEU A 994 4.272 -2.194 -5.142 1.00 0.00 H new ATOM 0 HD11 LEU A 994 5.800 -0.909 -6.580 1.00 0.00 H new ATOM 0 HD12 LEU A 994 5.309 -2.439 -7.345 1.00 0.00 H new ATOM 0 HD13 LEU A 994 4.576 -0.906 -7.872 1.00 0.00 H new ATOM 0 HD21 LEU A 994 4.265 0.264 -5.040 1.00 0.00 H new ATOM 0 HD22 LEU A 994 2.993 0.310 -6.284 1.00 0.00 H new ATOM 0 HD23 LEU A 994 2.656 -0.412 -4.693 1.00 0.00 H new ATOM 1264 N GLN A 995 0.608 -4.720 -6.723 1.00 0.00 N ATOM 1265 CA GLN A 995 -0.398 -5.373 -7.554 1.00 0.00 C ATOM 1266 C GLN A 995 -1.749 -5.507 -6.826 1.00 0.00 C ATOM 1267 O GLN A 995 -2.758 -5.001 -7.319 1.00 0.00 O ATOM 1268 CB GLN A 995 0.107 -6.734 -8.039 1.00 0.00 C ATOM 1269 CG GLN A 995 -0.638 -7.260 -9.252 1.00 0.00 C ATOM 1270 CD GLN A 995 -0.450 -6.383 -10.476 1.00 0.00 C ATOM 1271 OE1 GLN A 995 0.489 -6.570 -11.248 1.00 0.00 O ATOM 1272 NE2 GLN A 995 -1.338 -5.421 -10.667 1.00 0.00 N ATOM 0 H GLN A 995 1.403 -5.310 -6.477 1.00 0.00 H new ATOM 0 HA GLN A 995 -0.569 -4.739 -8.424 1.00 0.00 H new ATOM 0 HB2 GLN A 995 1.167 -6.654 -8.280 1.00 0.00 H new ATOM 0 HB3 GLN A 995 0.018 -7.456 -7.227 1.00 0.00 H new ATOM 0 HG2 GLN A 995 -0.293 -8.270 -9.476 1.00 0.00 H new ATOM 0 HG3 GLN A 995 -1.701 -7.330 -9.019 1.00 0.00 H new ATOM 0 HE21 GLN A 995 -2.104 -5.295 -10.005 1.00 0.00 H new ATOM 0 HE22 GLN A 995 -1.256 -4.805 -11.476 1.00 0.00 H new ATOM 1281 N PRO A 996 -1.816 -6.183 -5.656 1.00 0.00 N ATOM 1282 CA PRO A 996 -3.065 -6.289 -4.894 1.00 0.00 C ATOM 1283 C PRO A 996 -3.451 -4.968 -4.235 1.00 0.00 C ATOM 1284 O PRO A 996 -4.634 -4.664 -4.077 1.00 0.00 O ATOM 1285 CB PRO A 996 -2.758 -7.346 -3.833 1.00 0.00 C ATOM 1286 CG PRO A 996 -1.282 -7.291 -3.660 1.00 0.00 C ATOM 1287 CD PRO A 996 -0.717 -6.913 -5.001 1.00 0.00 C ATOM 0 HA PRO A 996 -3.908 -6.549 -5.534 1.00 0.00 H new ATOM 0 HB2 PRO A 996 -3.274 -7.130 -2.898 1.00 0.00 H new ATOM 0 HB3 PRO A 996 -3.082 -8.336 -4.155 1.00 0.00 H new ATOM 0 HG2 PRO A 996 -1.006 -6.559 -2.901 1.00 0.00 H new ATOM 0 HG3 PRO A 996 -0.892 -8.254 -3.331 1.00 0.00 H new ATOM 0 HD2 PRO A 996 0.171 -6.290 -4.899 1.00 0.00 H new ATOM 0 HD3 PRO A 996 -0.425 -7.793 -5.574 1.00 0.00 H new ATOM 1295 N GLY A 997 -2.445 -4.183 -3.860 1.00 0.00 N ATOM 1296 CA GLY A 997 -2.693 -2.894 -3.247 1.00 0.00 C ATOM 1297 C GLY A 997 -3.416 -1.955 -4.186 1.00 0.00 C ATOM 1298 O GLY A 997 -4.374 -1.288 -3.793 1.00 0.00 O ATOM 0 H GLY A 997 -1.459 -4.420 -3.971 1.00 0.00 H new ATOM 0 HA2 GLY A 997 -3.285 -3.030 -2.342 1.00 0.00 H new ATOM 0 HA3 GLY A 997 -1.746 -2.447 -2.944 1.00 0.00 H new ATOM 1302 N GLY A 998 -2.965 -1.921 -5.436 1.00 0.00 N ATOM 1303 CA GLY A 998 -3.600 -1.089 -6.437 1.00 0.00 C ATOM 1304 C GLY A 998 -5.040 -1.492 -6.683 1.00 0.00 C ATOM 1305 O GLY A 998 -5.872 -0.659 -7.046 1.00 0.00 O ATOM 0 H GLY A 998 -2.166 -2.459 -5.773 1.00 0.00 H new ATOM 0 HA2 GLY A 998 -3.565 -0.047 -6.117 1.00 0.00 H new ATOM 0 HA3 GLY A 998 -3.041 -1.155 -7.370 1.00 0.00 H new ATOM 1309 N LYS A 999 -5.335 -2.771 -6.477 1.00 0.00 N ATOM 1310 CA LYS A 999 -6.692 -3.278 -6.632 1.00 0.00 C ATOM 1311 C LYS A 999 -7.610 -2.694 -5.568 1.00 0.00 C ATOM 1312 O LYS A 999 -8.754 -2.348 -5.854 1.00 0.00 O ATOM 1313 CB LYS A 999 -6.719 -4.806 -6.552 1.00 0.00 C ATOM 1314 CG LYS A 999 -6.045 -5.487 -7.725 1.00 0.00 C ATOM 1315 CD LYS A 999 -6.107 -7.000 -7.601 1.00 0.00 C ATOM 1316 CE LYS A 999 -5.497 -7.681 -8.815 1.00 0.00 C ATOM 1317 NZ LYS A 999 -4.067 -7.326 -8.990 1.00 0.00 N ATOM 0 H LYS A 999 -4.651 -3.476 -6.202 1.00 0.00 H new ATOM 0 HA LYS A 999 -7.048 -2.972 -7.616 1.00 0.00 H new ATOM 0 HB2 LYS A 999 -6.231 -5.122 -5.630 1.00 0.00 H new ATOM 0 HB3 LYS A 999 -7.755 -5.140 -6.495 1.00 0.00 H new ATOM 0 HG2 LYS A 999 -6.526 -5.177 -8.653 1.00 0.00 H new ATOM 0 HG3 LYS A 999 -5.004 -5.168 -7.783 1.00 0.00 H new ATOM 0 HD2 LYS A 999 -5.578 -7.315 -6.701 1.00 0.00 H new ATOM 0 HD3 LYS A 999 -7.144 -7.315 -7.488 1.00 0.00 H new ATOM 0 HE2 LYS A 999 -5.592 -8.762 -8.711 1.00 0.00 H new ATOM 0 HE3 LYS A 999 -6.053 -7.397 -9.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 999 -3.509 -8.192 -9.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 999 -3.962 -6.706 -9.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 999 -3.726 -6.831 -8.141 1.00 0.00 H new ATOM 1331 N MET A1000 -7.102 -2.563 -4.347 1.00 0.00 N ATOM 1332 CA MET A1000 -7.911 -2.047 -3.257 1.00 0.00 C ATOM 1333 C MET A1000 -8.118 -0.550 -3.426 1.00 0.00 C ATOM 1334 O MET A1000 -9.173 -0.021 -3.088 1.00 0.00 O ATOM 1335 CB MET A1000 -7.270 -2.352 -1.900 1.00 0.00 C ATOM 1336 CG MET A1000 -8.218 -2.133 -0.730 1.00 0.00 C ATOM 1337 SD MET A1000 -7.527 -2.665 0.848 1.00 0.00 S ATOM 1338 CE MET A1000 -6.212 -1.473 1.057 1.00 0.00 C ATOM 0 H MET A1000 -6.144 -2.805 -4.092 1.00 0.00 H new ATOM 0 HA MET A1000 -8.881 -2.544 -3.285 1.00 0.00 H new ATOM 0 HB2 MET A1000 -6.925 -3.386 -1.892 1.00 0.00 H new ATOM 0 HB3 MET A1000 -6.390 -1.721 -1.770 1.00 0.00 H new ATOM 0 HG2 MET A1000 -8.473 -1.075 -0.670 1.00 0.00 H new ATOM 0 HG3 MET A1000 -9.146 -2.675 -0.915 1.00 0.00 H new ATOM 0 HE1 MET A1000 -6.057 -1.284 2.119 1.00 0.00 H new ATOM 0 HE2 MET A1000 -5.293 -1.865 0.621 1.00 0.00 H new ATOM 0 HE3 MET A1000 -6.482 -0.542 0.559 1.00 0.00 H new ATOM 1348 N VAL A1001 -7.112 0.123 -3.976 1.00 0.00 N ATOM 1349 CA VAL A1001 -7.229 1.541 -4.294 1.00 0.00 C ATOM 1350 C VAL A1001 -8.323 1.753 -5.333 1.00 0.00 C ATOM 1351 O VAL A1001 -9.206 2.598 -5.164 1.00 0.00 O ATOM 1352 CB VAL A1001 -5.904 2.122 -4.839 1.00 0.00 C ATOM 1353 CG1 VAL A1001 -6.039 3.613 -5.118 1.00 0.00 C ATOM 1354 CG2 VAL A1001 -4.761 1.864 -3.874 1.00 0.00 C ATOM 0 H VAL A1001 -6.209 -0.290 -4.210 1.00 0.00 H new ATOM 0 HA VAL A1001 -7.478 2.060 -3.368 1.00 0.00 H new ATOM 0 HB VAL A1001 -5.679 1.616 -5.778 1.00 0.00 H new ATOM 0 HG11 VAL A1001 -5.094 3.999 -5.500 1.00 0.00 H new ATOM 0 HG12 VAL A1001 -6.823 3.775 -5.858 1.00 0.00 H new ATOM 0 HG13 VAL A1001 -6.297 4.134 -4.196 1.00 0.00 H new ATOM 0 HG21 VAL A1001 -3.840 2.282 -4.280 1.00 0.00 H new ATOM 0 HG22 VAL A1001 -4.981 2.334 -2.915 1.00 0.00 H new ATOM 0 HG23 VAL A1001 -4.640 0.790 -3.732 1.00 0.00 H new ATOM 1364 N ALA A1002 -8.266 0.959 -6.397 1.00 0.00 N ATOM 1365 CA ALA A1002 -9.247 1.037 -7.470 1.00 0.00 C ATOM 1366 C ALA A1002 -10.637 0.665 -6.967 1.00 0.00 C ATOM 1367 O ALA A1002 -11.623 1.316 -7.312 1.00 0.00 O ATOM 1368 CB ALA A1002 -8.839 0.134 -8.624 1.00 0.00 C ATOM 0 H ALA A1002 -7.546 0.251 -6.538 1.00 0.00 H new ATOM 0 HA ALA A1002 -9.282 2.067 -7.826 1.00 0.00 H new ATOM 0 HB1 ALA A1002 -9.581 0.202 -9.419 1.00 0.00 H new ATOM 0 HB2 ALA A1002 -7.868 0.448 -9.006 1.00 0.00 H new ATOM 0 HB3 ALA A1002 -8.775 -0.897 -8.275 1.00 0.00 H new ATOM 1374 N ALA A1003 -10.710 -0.381 -6.151 1.00 0.00 N ATOM 1375 CA ALA A1003 -11.976 -0.824 -5.580 1.00 0.00 C ATOM 1376 C ALA A1003 -12.563 0.246 -4.667 1.00 0.00 C ATOM 1377 O ALA A1003 -13.755 0.539 -4.730 1.00 0.00 O ATOM 1378 CB ALA A1003 -11.793 -2.129 -4.817 1.00 0.00 C ATOM 0 H ALA A1003 -9.904 -0.939 -5.870 1.00 0.00 H new ATOM 0 HA ALA A1003 -12.674 -0.996 -6.399 1.00 0.00 H new ATOM 0 HB1 ALA A1003 -12.749 -2.443 -4.398 1.00 0.00 H new ATOM 0 HB2 ALA A1003 -11.424 -2.898 -5.495 1.00 0.00 H new ATOM 0 HB3 ALA A1003 -11.075 -1.981 -4.010 1.00 0.00 H new ATOM 1384 N ALA A1004 -11.714 0.832 -3.828 1.00 0.00 N ATOM 1385 CA ALA A1004 -12.144 1.867 -2.894 1.00 0.00 C ATOM 1386 C ALA A1004 -12.719 3.071 -3.632 1.00 0.00 C ATOM 1387 O ALA A1004 -13.849 3.482 -3.373 1.00 0.00 O ATOM 1388 CB ALA A1004 -10.984 2.291 -2.003 1.00 0.00 C ATOM 0 H ALA A1004 -10.721 0.606 -3.776 1.00 0.00 H new ATOM 0 HA ALA A1004 -12.933 1.450 -2.268 1.00 0.00 H new ATOM 0 HB1 ALA A1004 -11.320 3.064 -1.311 1.00 0.00 H new ATOM 0 HB2 ALA A1004 -10.625 1.430 -1.439 1.00 0.00 H new ATOM 0 HB3 ALA A1004 -10.176 2.683 -2.620 1.00 0.00 H new ATOM 1394 N LYS A1005 -11.950 3.607 -4.574 1.00 0.00 N ATOM 1395 CA LYS A1005 -12.357 4.793 -5.328 1.00 0.00 C ATOM 1396 C LYS A1005 -13.610 4.530 -6.153 1.00 0.00 C ATOM 1397 O LYS A1005 -14.405 5.436 -6.404 1.00 0.00 O ATOM 1398 CB LYS A1005 -11.222 5.254 -6.244 1.00 0.00 C ATOM 1399 CG LYS A1005 -10.010 5.769 -5.483 1.00 0.00 C ATOM 1400 CD LYS A1005 -8.913 6.257 -6.415 1.00 0.00 C ATOM 1401 CE LYS A1005 -7.756 6.860 -5.631 1.00 0.00 C ATOM 1402 NZ LYS A1005 -6.666 7.341 -6.520 1.00 0.00 N ATOM 0 H LYS A1005 -11.036 3.238 -4.836 1.00 0.00 H new ATOM 0 HA LYS A1005 -12.585 5.579 -4.608 1.00 0.00 H new ATOM 0 HB2 LYS A1005 -10.917 4.423 -6.881 1.00 0.00 H new ATOM 0 HB3 LYS A1005 -11.591 6.041 -6.902 1.00 0.00 H new ATOM 0 HG2 LYS A1005 -10.315 6.583 -4.825 1.00 0.00 H new ATOM 0 HG3 LYS A1005 -9.618 4.975 -4.847 1.00 0.00 H new ATOM 0 HD2 LYS A1005 -8.552 5.427 -7.022 1.00 0.00 H new ATOM 0 HD3 LYS A1005 -9.318 7.001 -7.101 1.00 0.00 H new ATOM 0 HE2 LYS A1005 -8.122 7.690 -5.026 1.00 0.00 H new ATOM 0 HE3 LYS A1005 -7.359 6.115 -4.942 1.00 0.00 H new ATOM 0 HZ1 LYS A1005 -5.900 7.743 -5.943 1.00 0.00 H new ATOM 0 HZ2 LYS A1005 -6.297 6.545 -7.079 1.00 0.00 H new ATOM 0 HZ3 LYS A1005 -7.037 8.071 -7.161 1.00 0.00 H new ATOM 1416 N ALA A1006 -13.786 3.288 -6.572 1.00 0.00 N ATOM 1417 CA ALA A1006 -14.929 2.916 -7.387 1.00 0.00 C ATOM 1418 C ALA A1006 -16.169 2.678 -6.531 1.00 0.00 C ATOM 1419 O ALA A1006 -17.295 2.756 -7.020 1.00 0.00 O ATOM 1420 CB ALA A1006 -14.597 1.686 -8.207 1.00 0.00 C ATOM 0 H ALA A1006 -13.150 2.519 -6.360 1.00 0.00 H new ATOM 0 HA ALA A1006 -15.153 3.742 -8.062 1.00 0.00 H new ATOM 0 HB1 ALA A1006 -15.458 1.412 -8.816 1.00 0.00 H new ATOM 0 HB2 ALA A1006 -13.747 1.899 -8.855 1.00 0.00 H new ATOM 0 HB3 ALA A1006 -14.347 0.861 -7.540 1.00 0.00 H new ATOM 1426 N SER A1007 -15.960 2.396 -5.254 1.00 0.00 N ATOM 1427 CA SER A1007 -17.065 2.143 -4.343 1.00 0.00 C ATOM 1428 C SER A1007 -17.593 3.446 -3.749 1.00 0.00 C ATOM 1429 O SER A1007 -18.747 3.521 -3.332 1.00 0.00 O ATOM 1430 CB SER A1007 -16.632 1.190 -3.227 1.00 0.00 C ATOM 1431 OG SER A1007 -16.176 -0.042 -3.765 1.00 0.00 O ATOM 0 H SER A1007 -15.036 2.337 -4.826 1.00 0.00 H new ATOM 0 HA SER A1007 -17.869 1.676 -4.911 1.00 0.00 H new ATOM 0 HB2 SER A1007 -15.839 1.650 -2.637 1.00 0.00 H new ATOM 0 HB3 SER A1007 -17.468 1.010 -2.552 1.00 0.00 H new ATOM 0 HG SER A1007 -15.228 0.036 -4.003 1.00 0.00 H new ATOM 1437 N VAL A1008 -16.746 4.474 -3.733 1.00 0.00 N ATOM 1438 CA VAL A1008 -17.116 5.780 -3.184 1.00 0.00 C ATOM 1439 C VAL A1008 -18.446 6.301 -3.759 1.00 0.00 C ATOM 1440 O VAL A1008 -19.384 6.555 -3.001 1.00 0.00 O ATOM 1441 CB VAL A1008 -16.004 6.833 -3.417 1.00 0.00 C ATOM 1442 CG1 VAL A1008 -16.428 8.201 -2.899 1.00 0.00 C ATOM 1443 CG2 VAL A1008 -14.706 6.397 -2.756 1.00 0.00 C ATOM 0 H VAL A1008 -15.794 4.428 -4.096 1.00 0.00 H new ATOM 0 HA VAL A1008 -17.243 5.630 -2.112 1.00 0.00 H new ATOM 0 HB VAL A1008 -15.838 6.912 -4.491 1.00 0.00 H new ATOM 0 HG11 VAL A1008 -15.629 8.921 -3.076 1.00 0.00 H new ATOM 0 HG12 VAL A1008 -17.329 8.524 -3.420 1.00 0.00 H new ATOM 0 HG13 VAL A1008 -16.630 8.138 -1.830 1.00 0.00 H new ATOM 0 HG21 VAL A1008 -13.938 7.150 -2.931 1.00 0.00 H new ATOM 0 HG22 VAL A1008 -14.864 6.283 -1.684 1.00 0.00 H new ATOM 0 HG23 VAL A1008 -14.384 5.445 -3.179 1.00 0.00 H new ATOM 1453 N PRO A1009 -18.567 6.452 -5.099 1.00 0.00 N ATOM 1454 CA PRO A1009 -19.774 7.023 -5.711 1.00 0.00 C ATOM 1455 C PRO A1009 -20.995 6.110 -5.610 1.00 0.00 C ATOM 1456 O PRO A1009 -22.130 6.572 -5.699 1.00 0.00 O ATOM 1457 CB PRO A1009 -19.375 7.218 -7.176 1.00 0.00 C ATOM 1458 CG PRO A1009 -18.300 6.218 -7.414 1.00 0.00 C ATOM 1459 CD PRO A1009 -17.552 6.100 -6.117 1.00 0.00 C ATOM 0 HA PRO A1009 -20.076 7.940 -5.205 1.00 0.00 H new ATOM 0 HB2 PRO A1009 -20.222 7.054 -7.842 1.00 0.00 H new ATOM 0 HB3 PRO A1009 -19.019 8.232 -7.357 1.00 0.00 H new ATOM 0 HG2 PRO A1009 -18.720 5.257 -7.712 1.00 0.00 H new ATOM 0 HG3 PRO A1009 -17.639 6.540 -8.218 1.00 0.00 H new ATOM 0 HD2 PRO A1009 -17.166 5.092 -5.967 1.00 0.00 H new ATOM 0 HD3 PRO A1009 -16.698 6.777 -6.083 1.00 0.00 H new ATOM 1467 N THR A1010 -20.765 4.821 -5.404 1.00 0.00 N ATOM 1468 CA THR A1010 -21.858 3.861 -5.363 1.00 0.00 C ATOM 1469 C THR A1010 -22.490 3.782 -3.975 1.00 0.00 C ATOM 1470 O THR A1010 -23.579 3.230 -3.808 1.00 0.00 O ATOM 1471 CB THR A1010 -21.391 2.458 -5.805 1.00 0.00 C ATOM 1472 OG1 THR A1010 -20.218 2.064 -5.080 1.00 0.00 O ATOM 1473 CG2 THR A1010 -21.096 2.439 -7.295 1.00 0.00 C ATOM 0 H THR A1010 -19.838 4.418 -5.264 1.00 0.00 H new ATOM 0 HA THR A1010 -22.613 4.216 -6.064 1.00 0.00 H new ATOM 0 HB THR A1010 -22.195 1.754 -5.591 1.00 0.00 H new ATOM 0 HG1 THR A1010 -20.002 2.747 -4.411 1.00 0.00 H new ATOM 0 HG21 THR A1010 -20.768 1.442 -7.588 1.00 0.00 H new ATOM 0 HG22 THR A1010 -21.998 2.702 -7.848 1.00 0.00 H new ATOM 0 HG23 THR A1010 -20.310 3.160 -7.520 1.00 0.00 H new ATOM 1481 N ILE A1011 -21.808 4.347 -2.987 1.00 0.00 N ATOM 1482 CA ILE A1011 -22.296 4.333 -1.615 1.00 0.00 C ATOM 1483 C ILE A1011 -23.074 5.612 -1.313 1.00 0.00 C ATOM 1484 O ILE A1011 -22.581 6.716 -1.549 1.00 0.00 O ATOM 1485 CB ILE A1011 -21.128 4.180 -0.614 1.00 0.00 C ATOM 1486 CG1 ILE A1011 -20.416 2.843 -0.838 1.00 0.00 C ATOM 1487 CG2 ILE A1011 -21.624 4.283 0.823 1.00 0.00 C ATOM 1488 CD1 ILE A1011 -19.175 2.663 0.008 1.00 0.00 C ATOM 0 H ILE A1011 -20.914 4.821 -3.111 1.00 0.00 H new ATOM 0 HA ILE A1011 -22.961 3.477 -1.504 1.00 0.00 H new ATOM 0 HB ILE A1011 -20.421 4.991 -0.785 1.00 0.00 H new ATOM 0 HG12 ILE A1011 -21.111 2.031 -0.624 1.00 0.00 H new ATOM 0 HG13 ILE A1011 -20.143 2.759 -1.890 1.00 0.00 H new ATOM 0 HG21 ILE A1011 -20.783 4.172 1.507 1.00 0.00 H new ATOM 0 HG22 ILE A1011 -22.092 5.255 0.978 1.00 0.00 H new ATOM 0 HG23 ILE A1011 -22.353 3.495 1.014 1.00 0.00 H new ATOM 0 HD11 ILE A1011 -18.726 1.693 -0.206 1.00 0.00 H new ATOM 0 HD12 ILE A1011 -18.460 3.453 -0.222 1.00 0.00 H new ATOM 0 HD13 ILE A1011 -19.444 2.713 1.063 1.00 0.00 H new ATOM 1500 N GLN A1012 -24.299 5.456 -0.821 1.00 0.00 N ATOM 1501 CA GLN A1012 -25.132 6.598 -0.465 1.00 0.00 C ATOM 1502 C GLN A1012 -24.571 7.325 0.751 1.00 0.00 C ATOM 1503 O GLN A1012 -24.565 8.556 0.797 1.00 0.00 O ATOM 1504 CB GLN A1012 -26.575 6.171 -0.180 1.00 0.00 C ATOM 1505 CG GLN A1012 -27.346 5.696 -1.403 1.00 0.00 C ATOM 1506 CD GLN A1012 -27.205 4.209 -1.667 1.00 0.00 C ATOM 1507 OE1 GLN A1012 -26.179 3.598 -1.368 1.00 0.00 O ATOM 1508 NE2 GLN A1012 -28.249 3.615 -2.221 1.00 0.00 N ATOM 0 H GLN A1012 -24.737 4.549 -0.660 1.00 0.00 H new ATOM 0 HA GLN A1012 -25.129 7.274 -1.320 1.00 0.00 H new ATOM 0 HB2 GLN A1012 -26.564 5.371 0.560 1.00 0.00 H new ATOM 0 HB3 GLN A1012 -27.108 7.011 0.266 1.00 0.00 H new ATOM 0 HG2 GLN A1012 -28.401 5.935 -1.273 1.00 0.00 H new ATOM 0 HG3 GLN A1012 -27.000 6.247 -2.278 1.00 0.00 H new ATOM 0 HE21 GLN A1012 -29.081 4.158 -2.454 1.00 0.00 H new ATOM 0 HE22 GLN A1012 -28.222 2.614 -2.416 1.00 0.00 H new ATOM 1517 N ASP A1013 -24.106 6.560 1.733 1.00 0.00 N ATOM 1518 CA ASP A1013 -23.531 7.140 2.940 1.00 0.00 C ATOM 1519 C ASP A1013 -22.255 7.895 2.609 1.00 0.00 C ATOM 1520 O ASP A1013 -21.227 7.293 2.290 1.00 0.00 O ATOM 1521 CB ASP A1013 -23.243 6.062 3.986 1.00 0.00 C ATOM 1522 CG ASP A1013 -22.639 6.644 5.251 1.00 0.00 C ATOM 1523 OD1 ASP A1013 -23.340 7.387 5.966 1.00 0.00 O ATOM 1524 OD2 ASP A1013 -21.463 6.345 5.542 1.00 0.00 O ATOM 0 H ASP A1013 -24.116 5.540 1.717 1.00 0.00 H new ATOM 0 HA ASP A1013 -24.259 7.836 3.356 1.00 0.00 H new ATOM 0 HB2 ASP A1013 -24.168 5.540 4.233 1.00 0.00 H new ATOM 0 HB3 ASP A1013 -22.562 5.322 3.566 1.00 0.00 H new ATOM 1529 N GLN A1014 -22.327 9.214 2.684 1.00 0.00 N ATOM 1530 CA GLN A1014 -21.210 10.057 2.293 1.00 0.00 C ATOM 1531 C GLN A1014 -20.057 9.941 3.277 1.00 0.00 C ATOM 1532 O GLN A1014 -18.909 10.147 2.908 1.00 0.00 O ATOM 1533 CB GLN A1014 -21.647 11.514 2.156 1.00 0.00 C ATOM 1534 CG GLN A1014 -22.624 11.740 1.017 1.00 0.00 C ATOM 1535 CD GLN A1014 -22.859 13.208 0.736 1.00 0.00 C ATOM 1536 OE1 GLN A1014 -23.773 13.826 1.285 1.00 0.00 O ATOM 1537 NE2 GLN A1014 -22.033 13.777 -0.128 1.00 0.00 N ATOM 0 H GLN A1014 -23.147 9.724 3.012 1.00 0.00 H new ATOM 0 HA GLN A1014 -20.862 9.707 1.321 1.00 0.00 H new ATOM 0 HB2 GLN A1014 -22.106 11.838 3.090 1.00 0.00 H new ATOM 0 HB3 GLN A1014 -20.767 12.138 2.000 1.00 0.00 H new ATOM 0 HG2 GLN A1014 -22.244 11.257 0.116 1.00 0.00 H new ATOM 0 HG3 GLN A1014 -23.574 11.263 1.258 1.00 0.00 H new ATOM 0 HE21 GLN A1014 -21.289 13.228 -0.560 1.00 0.00 H new ATOM 0 HE22 GLN A1014 -22.140 14.764 -0.362 1.00 0.00 H new ATOM 1546 N ALA A1015 -20.360 9.596 4.519 1.00 0.00 N ATOM 1547 CA ALA A1015 -19.321 9.422 5.527 1.00 0.00 C ATOM 1548 C ALA A1015 -18.375 8.289 5.135 1.00 0.00 C ATOM 1549 O ALA A1015 -17.152 8.457 5.149 1.00 0.00 O ATOM 1550 CB ALA A1015 -19.940 9.162 6.891 1.00 0.00 C ATOM 0 H ALA A1015 -21.309 9.432 4.853 1.00 0.00 H new ATOM 0 HA ALA A1015 -18.741 10.343 5.586 1.00 0.00 H new ATOM 0 HB1 ALA A1015 -19.150 9.035 7.631 1.00 0.00 H new ATOM 0 HB2 ALA A1015 -20.568 10.007 7.173 1.00 0.00 H new ATOM 0 HB3 ALA A1015 -20.547 8.257 6.849 1.00 0.00 H new ATOM 1556 N SER A1016 -18.946 7.144 4.770 1.00 0.00 N ATOM 1557 CA SER A1016 -18.160 6.012 4.294 1.00 0.00 C ATOM 1558 C SER A1016 -17.492 6.351 2.962 1.00 0.00 C ATOM 1559 O SER A1016 -16.362 5.933 2.697 1.00 0.00 O ATOM 1560 CB SER A1016 -19.046 4.774 4.135 1.00 0.00 C ATOM 1561 OG SER A1016 -19.701 4.453 5.351 1.00 0.00 O ATOM 0 H SER A1016 -19.952 6.977 4.795 1.00 0.00 H new ATOM 0 HA SER A1016 -17.387 5.797 5.031 1.00 0.00 H new ATOM 0 HB2 SER A1016 -19.787 4.951 3.356 1.00 0.00 H new ATOM 0 HB3 SER A1016 -18.439 3.928 3.811 1.00 0.00 H new ATOM 0 HG SER A1016 -20.238 5.218 5.645 1.00 0.00 H new ATOM 1567 N ALA A1017 -18.193 7.120 2.136 1.00 0.00 N ATOM 1568 CA ALA A1017 -17.659 7.546 0.849 1.00 0.00 C ATOM 1569 C ALA A1017 -16.425 8.428 1.035 1.00 0.00 C ATOM 1570 O ALA A1017 -15.393 8.210 0.398 1.00 0.00 O ATOM 1571 CB ALA A1017 -18.728 8.281 0.051 1.00 0.00 C ATOM 0 H ALA A1017 -19.133 7.461 2.336 1.00 0.00 H new ATOM 0 HA ALA A1017 -17.357 6.659 0.293 1.00 0.00 H new ATOM 0 HB1 ALA A1017 -18.315 8.594 -0.908 1.00 0.00 H new ATOM 0 HB2 ALA A1017 -19.576 7.618 -0.118 1.00 0.00 H new ATOM 0 HB3 ALA A1017 -19.058 9.158 0.607 1.00 0.00 H new ATOM 1577 N MET A1018 -16.534 9.415 1.921 1.00 0.00 N ATOM 1578 CA MET A1018 -15.414 10.298 2.240 1.00 0.00 C ATOM 1579 C MET A1018 -14.278 9.504 2.867 1.00 0.00 C ATOM 1580 O MET A1018 -13.103 9.799 2.650 1.00 0.00 O ATOM 1581 CB MET A1018 -15.842 11.410 3.201 1.00 0.00 C ATOM 1582 CG MET A1018 -16.898 12.345 2.638 1.00 0.00 C ATOM 1583 SD MET A1018 -17.302 13.697 3.762 1.00 0.00 S ATOM 1584 CE MET A1018 -15.714 14.519 3.875 1.00 0.00 C ATOM 0 H MET A1018 -17.391 9.624 2.433 1.00 0.00 H new ATOM 0 HA MET A1018 -15.075 10.751 1.308 1.00 0.00 H new ATOM 0 HB2 MET A1018 -16.224 10.957 4.116 1.00 0.00 H new ATOM 0 HB3 MET A1018 -14.964 11.995 3.477 1.00 0.00 H new ATOM 0 HG2 MET A1018 -16.546 12.757 1.692 1.00 0.00 H new ATOM 0 HG3 MET A1018 -17.802 11.776 2.421 1.00 0.00 H new ATOM 0 HE1 MET A1018 -15.864 15.598 3.908 1.00 0.00 H new ATOM 0 HE2 MET A1018 -15.201 14.196 4.781 1.00 0.00 H new ATOM 0 HE3 MET A1018 -15.109 14.263 3.005 1.00 0.00 H new ATOM 1594 N GLN A1019 -14.644 8.495 3.645 1.00 0.00 N ATOM 1595 CA GLN A1019 -13.673 7.627 4.293 1.00 0.00 C ATOM 1596 C GLN A1019 -12.833 6.903 3.244 1.00 0.00 C ATOM 1597 O GLN A1019 -11.606 6.847 3.341 1.00 0.00 O ATOM 1598 CB GLN A1019 -14.391 6.614 5.188 1.00 0.00 C ATOM 1599 CG GLN A1019 -13.469 5.893 6.154 1.00 0.00 C ATOM 1600 CD GLN A1019 -12.861 6.827 7.179 1.00 0.00 C ATOM 1601 OE1 GLN A1019 -13.476 7.820 7.576 1.00 0.00 O ATOM 1602 NE2 GLN A1019 -11.652 6.521 7.613 1.00 0.00 N ATOM 0 H GLN A1019 -15.616 8.257 3.843 1.00 0.00 H new ATOM 0 HA GLN A1019 -13.012 8.235 4.911 1.00 0.00 H new ATOM 0 HB2 GLN A1019 -15.166 7.129 5.755 1.00 0.00 H new ATOM 0 HB3 GLN A1019 -14.892 5.878 4.559 1.00 0.00 H new ATOM 0 HG2 GLN A1019 -14.026 5.109 6.667 1.00 0.00 H new ATOM 0 HG3 GLN A1019 -12.672 5.404 5.594 1.00 0.00 H new ATOM 0 HE21 GLN A1019 -11.178 5.690 7.259 1.00 0.00 H new ATOM 0 HE22 GLN A1019 -11.192 7.115 8.303 1.00 0.00 H new ATOM 1611 N LEU A1020 -13.503 6.365 2.231 1.00 0.00 N ATOM 1612 CA LEU A1020 -12.818 5.684 1.141 1.00 0.00 C ATOM 1613 C LEU A1020 -12.033 6.663 0.288 1.00 0.00 C ATOM 1614 O LEU A1020 -10.911 6.376 -0.120 1.00 0.00 O ATOM 1615 CB LEU A1020 -13.802 4.908 0.271 1.00 0.00 C ATOM 1616 CG LEU A1020 -14.305 3.603 0.879 1.00 0.00 C ATOM 1617 CD1 LEU A1020 -15.201 2.872 -0.109 1.00 0.00 C ATOM 1618 CD2 LEU A1020 -13.127 2.728 1.289 1.00 0.00 C ATOM 0 H LEU A1020 -14.519 6.388 2.143 1.00 0.00 H new ATOM 0 HA LEU A1020 -12.119 4.978 1.590 1.00 0.00 H new ATOM 0 HB2 LEU A1020 -14.659 5.547 0.058 1.00 0.00 H new ATOM 0 HB3 LEU A1020 -13.325 4.687 -0.684 1.00 0.00 H new ATOM 0 HG LEU A1020 -14.892 3.830 1.769 1.00 0.00 H new ATOM 0 HD11 LEU A1020 -15.553 1.942 0.338 1.00 0.00 H new ATOM 0 HD12 LEU A1020 -16.056 3.501 -0.359 1.00 0.00 H new ATOM 0 HD13 LEU A1020 -14.637 2.649 -1.015 1.00 0.00 H new ATOM 0 HD21 LEU A1020 -13.497 1.799 1.722 1.00 0.00 H new ATOM 0 HD22 LEU A1020 -12.519 2.503 0.413 1.00 0.00 H new ATOM 0 HD23 LEU A1020 -12.521 3.255 2.026 1.00 0.00 H new ATOM 1630 N SER A1021 -12.620 7.821 0.026 1.00 0.00 N ATOM 1631 CA SER A1021 -11.949 8.853 -0.745 1.00 0.00 C ATOM 1632 C SER A1021 -10.619 9.220 -0.085 1.00 0.00 C ATOM 1633 O SER A1021 -9.593 9.337 -0.758 1.00 0.00 O ATOM 1634 CB SER A1021 -12.848 10.088 -0.869 1.00 0.00 C ATOM 1635 OG SER A1021 -12.263 11.076 -1.698 1.00 0.00 O ATOM 0 H SER A1021 -13.560 8.068 0.337 1.00 0.00 H new ATOM 0 HA SER A1021 -11.746 8.472 -1.746 1.00 0.00 H new ATOM 0 HB2 SER A1021 -13.815 9.795 -1.277 1.00 0.00 H new ATOM 0 HB3 SER A1021 -13.033 10.505 0.121 1.00 0.00 H new ATOM 0 HG SER A1021 -12.862 11.849 -1.758 1.00 0.00 H new ATOM 1641 N GLN A1022 -10.643 9.356 1.237 1.00 0.00 N ATOM 1642 CA GLN A1022 -9.453 9.703 2.005 1.00 0.00 C ATOM 1643 C GLN A1022 -8.420 8.576 1.989 1.00 0.00 C ATOM 1644 O GLN A1022 -7.265 8.791 1.623 1.00 0.00 O ATOM 1645 CB GLN A1022 -9.846 10.038 3.449 1.00 0.00 C ATOM 1646 CG GLN A1022 -8.664 10.209 4.398 1.00 0.00 C ATOM 1647 CD GLN A1022 -7.831 11.448 4.122 1.00 0.00 C ATOM 1648 OE1 GLN A1022 -7.732 11.917 2.988 1.00 0.00 O ATOM 1649 NE2 GLN A1022 -7.212 11.978 5.162 1.00 0.00 N ATOM 0 H GLN A1022 -11.482 9.230 1.803 1.00 0.00 H new ATOM 0 HA GLN A1022 -8.996 10.576 1.539 1.00 0.00 H new ATOM 0 HB2 GLN A1022 -10.433 10.956 3.450 1.00 0.00 H new ATOM 0 HB3 GLN A1022 -10.491 9.247 3.830 1.00 0.00 H new ATOM 0 HG2 GLN A1022 -9.035 10.253 5.422 1.00 0.00 H new ATOM 0 HG3 GLN A1022 -8.024 9.329 4.329 1.00 0.00 H new ATOM 0 HE21 GLN A1022 -7.319 11.560 6.086 1.00 0.00 H new ATOM 0 HE22 GLN A1022 -6.627 12.805 5.040 1.00 0.00 H new ATOM 1658 N CYS A1023 -8.830 7.376 2.382 1.00 0.00 N ATOM 1659 CA CYS A1023 -7.897 6.261 2.506 1.00 0.00 C ATOM 1660 C CYS A1023 -7.285 5.891 1.153 1.00 0.00 C ATOM 1661 O CYS A1023 -6.078 5.660 1.052 1.00 0.00 O ATOM 1662 CB CYS A1023 -8.587 5.047 3.138 1.00 0.00 C ATOM 1663 SG CYS A1023 -10.051 4.470 2.255 1.00 0.00 S ATOM 0 H CYS A1023 -9.796 7.150 2.619 1.00 0.00 H new ATOM 0 HA CYS A1023 -7.086 6.578 3.161 1.00 0.00 H new ATOM 0 HB2 CYS A1023 -7.869 4.229 3.199 1.00 0.00 H new ATOM 0 HB3 CYS A1023 -8.871 5.298 4.160 1.00 0.00 H new ATOM 0 HG CYS A1023 -10.240 5.207 1.201 1.00 0.00 H new ATOM 1669 N ALA A1024 -8.112 5.875 0.111 1.00 0.00 N ATOM 1670 CA ALA A1024 -7.665 5.474 -1.217 1.00 0.00 C ATOM 1671 C ALA A1024 -6.665 6.463 -1.807 1.00 0.00 C ATOM 1672 O ALA A1024 -5.706 6.062 -2.464 1.00 0.00 O ATOM 1673 CB ALA A1024 -8.853 5.309 -2.149 1.00 0.00 C ATOM 0 H ALA A1024 -9.097 6.136 0.162 1.00 0.00 H new ATOM 0 HA ALA A1024 -7.156 4.516 -1.112 1.00 0.00 H new ATOM 0 HB1 ALA A1024 -8.502 5.009 -3.136 1.00 0.00 H new ATOM 0 HB2 ALA A1024 -9.522 4.544 -1.754 1.00 0.00 H new ATOM 0 HB3 ALA A1024 -9.389 6.255 -2.226 1.00 0.00 H new ATOM 1679 N LYS A1025 -6.880 7.754 -1.580 1.00 0.00 N ATOM 1680 CA LYS A1025 -5.980 8.766 -2.124 1.00 0.00 C ATOM 1681 C LYS A1025 -4.651 8.751 -1.368 1.00 0.00 C ATOM 1682 O LYS A1025 -3.598 9.056 -1.933 1.00 0.00 O ATOM 1683 CB LYS A1025 -6.621 10.161 -2.084 1.00 0.00 C ATOM 1684 CG LYS A1025 -6.823 10.721 -0.685 1.00 0.00 C ATOM 1685 CD LYS A1025 -7.692 11.973 -0.691 1.00 0.00 C ATOM 1686 CE LYS A1025 -7.067 13.105 -1.492 1.00 0.00 C ATOM 1687 NZ LYS A1025 -5.720 13.474 -0.981 1.00 0.00 N ATOM 0 H LYS A1025 -7.657 8.122 -1.031 1.00 0.00 H new ATOM 0 HA LYS A1025 -5.787 8.526 -3.170 1.00 0.00 H new ATOM 0 HB2 LYS A1025 -5.996 10.851 -2.651 1.00 0.00 H new ATOM 0 HB3 LYS A1025 -7.587 10.118 -2.588 1.00 0.00 H new ATOM 0 HG2 LYS A1025 -7.285 9.962 -0.054 1.00 0.00 H new ATOM 0 HG3 LYS A1025 -5.854 10.955 -0.245 1.00 0.00 H new ATOM 0 HD2 LYS A1025 -8.670 11.732 -1.108 1.00 0.00 H new ATOM 0 HD3 LYS A1025 -7.856 12.304 0.335 1.00 0.00 H new ATOM 0 HE2 LYS A1025 -6.989 12.808 -2.538 1.00 0.00 H new ATOM 0 HE3 LYS A1025 -7.720 13.977 -1.456 1.00 0.00 H new ATOM 0 HZ1 LYS A1025 -5.410 14.361 -1.427 1.00 0.00 H new ATOM 0 HZ2 LYS A1025 -5.763 13.602 0.050 1.00 0.00 H new ATOM 0 HZ3 LYS A1025 -5.043 12.718 -1.208 1.00 0.00 H new ATOM 1701 N ASN A1026 -4.705 8.372 -0.096 1.00 0.00 N ATOM 1702 CA ASN A1026 -3.498 8.218 0.706 1.00 0.00 C ATOM 1703 C ASN A1026 -2.698 7.023 0.216 1.00 0.00 C ATOM 1704 O ASN A1026 -1.513 7.139 -0.090 1.00 0.00 O ATOM 1705 CB ASN A1026 -3.834 8.038 2.189 1.00 0.00 C ATOM 1706 CG ASN A1026 -4.359 9.305 2.833 1.00 0.00 C ATOM 1707 OD1 ASN A1026 -4.019 10.413 2.421 1.00 0.00 O ATOM 1708 ND2 ASN A1026 -5.183 9.151 3.855 1.00 0.00 N ATOM 0 H ASN A1026 -5.571 8.166 0.401 1.00 0.00 H new ATOM 0 HA ASN A1026 -2.905 9.126 0.597 1.00 0.00 H new ATOM 0 HB2 ASN A1026 -4.577 7.248 2.295 1.00 0.00 H new ATOM 0 HB3 ASN A1026 -2.941 7.709 2.721 1.00 0.00 H new ATOM 0 HD21 ASN A1026 -5.562 9.969 4.333 1.00 0.00 H new ATOM 0 HD22 ASN A1026 -5.440 8.214 4.166 1.00 0.00 H new ATOM 1715 N LEU A1027 -3.369 5.882 0.124 1.00 0.00 N ATOM 1716 CA LEU A1027 -2.748 4.648 -0.335 1.00 0.00 C ATOM 1717 C LEU A1027 -2.233 4.803 -1.765 1.00 0.00 C ATOM 1718 O LEU A1027 -1.142 4.338 -2.092 1.00 0.00 O ATOM 1719 CB LEU A1027 -3.755 3.497 -0.240 1.00 0.00 C ATOM 1720 CG LEU A1027 -3.229 2.114 -0.629 1.00 0.00 C ATOM 1721 CD1 LEU A1027 -2.010 1.746 0.202 1.00 0.00 C ATOM 1722 CD2 LEU A1027 -4.324 1.071 -0.458 1.00 0.00 C ATOM 0 H LEU A1027 -4.356 5.787 0.365 1.00 0.00 H new ATOM 0 HA LEU A1027 -1.894 4.422 0.304 1.00 0.00 H new ATOM 0 HB2 LEU A1027 -4.126 3.448 0.784 1.00 0.00 H new ATOM 0 HB3 LEU A1027 -4.607 3.732 -0.877 1.00 0.00 H new ATOM 0 HG LEU A1027 -2.929 2.141 -1.677 1.00 0.00 H new ATOM 0 HD11 LEU A1027 -1.654 0.759 -0.092 1.00 0.00 H new ATOM 0 HD12 LEU A1027 -1.222 2.480 0.037 1.00 0.00 H new ATOM 0 HD13 LEU A1027 -2.280 1.735 1.258 1.00 0.00 H new ATOM 0 HD21 LEU A1027 -3.939 0.090 -0.738 1.00 0.00 H new ATOM 0 HD22 LEU A1027 -4.648 1.051 0.583 1.00 0.00 H new ATOM 0 HD23 LEU A1027 -5.170 1.324 -1.096 1.00 0.00 H new ATOM 1734 N GLY A1028 -3.015 5.475 -2.603 1.00 0.00 N ATOM 1735 CA GLY A1028 -2.616 5.709 -3.977 1.00 0.00 C ATOM 1736 C GLY A1028 -1.306 6.469 -4.081 1.00 0.00 C ATOM 1737 O GLY A1028 -0.388 6.043 -4.783 1.00 0.00 O ATOM 0 H GLY A1028 -3.924 5.864 -2.352 1.00 0.00 H new ATOM 0 HA2 GLY A1028 -2.519 4.753 -4.492 1.00 0.00 H new ATOM 0 HA3 GLY A1028 -3.399 6.269 -4.489 1.00 0.00 H new ATOM 1741 N THR A1029 -1.210 7.584 -3.367 1.00 0.00 N ATOM 1742 CA THR A1029 -0.007 8.404 -3.394 1.00 0.00 C ATOM 1743 C THR A1029 1.150 7.692 -2.693 1.00 0.00 C ATOM 1744 O THR A1029 2.311 7.839 -3.082 1.00 0.00 O ATOM 1745 CB THR A1029 -0.249 9.762 -2.718 1.00 0.00 C ATOM 1746 OG1 THR A1029 -1.506 10.304 -3.150 1.00 0.00 O ATOM 1747 CG2 THR A1029 0.863 10.744 -3.053 1.00 0.00 C ATOM 0 H THR A1029 -1.951 7.940 -2.763 1.00 0.00 H new ATOM 0 HA THR A1029 0.252 8.569 -4.440 1.00 0.00 H new ATOM 0 HB THR A1029 -0.264 9.606 -1.639 1.00 0.00 H new ATOM 0 HG1 THR A1029 -2.238 9.814 -2.721 1.00 0.00 H new ATOM 0 HG21 THR A1029 0.667 11.697 -2.562 1.00 0.00 H new ATOM 0 HG22 THR A1029 1.817 10.346 -2.706 1.00 0.00 H new ATOM 0 HG23 THR A1029 0.904 10.893 -4.132 1.00 0.00 H new ATOM 1755 N ALA A1030 0.822 6.917 -1.664 1.00 0.00 N ATOM 1756 CA ALA A1030 1.815 6.127 -0.952 1.00 0.00 C ATOM 1757 C ALA A1030 2.453 5.111 -1.890 1.00 0.00 C ATOM 1758 O ALA A1030 3.676 5.008 -1.974 1.00 0.00 O ATOM 1759 CB ALA A1030 1.179 5.428 0.240 1.00 0.00 C ATOM 0 H ALA A1030 -0.128 6.821 -1.305 1.00 0.00 H new ATOM 0 HA ALA A1030 2.594 6.794 -0.584 1.00 0.00 H new ATOM 0 HB1 ALA A1030 1.934 4.841 0.763 1.00 0.00 H new ATOM 0 HB2 ALA A1030 0.764 6.172 0.919 1.00 0.00 H new ATOM 0 HB3 ALA A1030 0.383 4.769 -0.107 1.00 0.00 H new ATOM 1765 N LEU A1031 1.611 4.380 -2.613 1.00 0.00 N ATOM 1766 CA LEU A1031 2.082 3.392 -3.578 1.00 0.00 C ATOM 1767 C LEU A1031 2.832 4.065 -4.714 1.00 0.00 C ATOM 1768 O LEU A1031 3.762 3.495 -5.275 1.00 0.00 O ATOM 1769 CB LEU A1031 0.908 2.595 -4.148 1.00 0.00 C ATOM 1770 CG LEU A1031 0.159 1.727 -3.142 1.00 0.00 C ATOM 1771 CD1 LEU A1031 -1.014 1.037 -3.811 1.00 0.00 C ATOM 1772 CD2 LEU A1031 1.100 0.706 -2.522 1.00 0.00 C ATOM 0 H LEU A1031 0.596 4.453 -2.549 1.00 0.00 H new ATOM 0 HA LEU A1031 2.758 2.713 -3.058 1.00 0.00 H new ATOM 0 HB2 LEU A1031 0.201 3.292 -4.598 1.00 0.00 H new ATOM 0 HB3 LEU A1031 1.279 1.956 -4.949 1.00 0.00 H new ATOM 0 HG LEU A1031 -0.227 2.366 -2.348 1.00 0.00 H new ATOM 0 HD11 LEU A1031 -1.539 0.421 -3.081 1.00 0.00 H new ATOM 0 HD12 LEU A1031 -1.697 1.786 -4.211 1.00 0.00 H new ATOM 0 HD13 LEU A1031 -0.651 0.407 -4.623 1.00 0.00 H new ATOM 0 HD21 LEU A1031 0.552 0.094 -1.806 1.00 0.00 H new ATOM 0 HD22 LEU A1031 1.512 0.069 -3.304 1.00 0.00 H new ATOM 0 HD23 LEU A1031 1.912 1.223 -2.010 1.00 0.00 H new ATOM 1784 N ALA A1032 2.415 5.278 -5.042 1.00 0.00 N ATOM 1785 CA ALA A1032 3.037 6.055 -6.104 1.00 0.00 C ATOM 1786 C ALA A1032 4.544 6.192 -5.890 1.00 0.00 C ATOM 1787 O ALA A1032 5.340 5.817 -6.756 1.00 0.00 O ATOM 1788 CB ALA A1032 2.380 7.427 -6.193 1.00 0.00 C ATOM 0 H ALA A1032 1.638 5.751 -4.581 1.00 0.00 H new ATOM 0 HA ALA A1032 2.889 5.526 -7.045 1.00 0.00 H new ATOM 0 HB1 ALA A1032 2.850 8.004 -6.990 1.00 0.00 H new ATOM 0 HB2 ALA A1032 1.318 7.309 -6.408 1.00 0.00 H new ATOM 0 HB3 ALA A1032 2.502 7.951 -5.245 1.00 0.00 H new ATOM 1794 N GLU A1033 4.942 6.706 -4.734 1.00 0.00 N ATOM 1795 CA GLU A1033 6.358 6.907 -4.457 1.00 0.00 C ATOM 1796 C GLU A1033 7.021 5.614 -3.988 1.00 0.00 C ATOM 1797 O GLU A1033 8.239 5.472 -4.082 1.00 0.00 O ATOM 1798 CB GLU A1033 6.567 8.027 -3.438 1.00 0.00 C ATOM 1799 CG GLU A1033 5.794 7.854 -2.142 1.00 0.00 C ATOM 1800 CD GLU A1033 5.969 9.042 -1.220 1.00 0.00 C ATOM 1801 OE1 GLU A1033 5.207 10.021 -1.350 1.00 0.00 O ATOM 1802 OE2 GLU A1033 6.856 8.996 -0.343 1.00 0.00 O ATOM 0 H GLU A1033 4.314 6.988 -3.982 1.00 0.00 H new ATOM 0 HA GLU A1033 6.835 7.207 -5.390 1.00 0.00 H new ATOM 0 HB2 GLU A1033 7.630 8.095 -3.206 1.00 0.00 H new ATOM 0 HB3 GLU A1033 6.279 8.974 -3.894 1.00 0.00 H new ATOM 0 HG2 GLU A1033 4.736 7.720 -2.365 1.00 0.00 H new ATOM 0 HG3 GLU A1033 6.130 6.949 -1.636 1.00 0.00 H new ATOM 1809 N LEU A1034 6.219 4.678 -3.497 1.00 0.00 N ATOM 1810 CA LEU A1034 6.720 3.365 -3.101 1.00 0.00 C ATOM 1811 C LEU A1034 7.131 2.582 -4.350 1.00 0.00 C ATOM 1812 O LEU A1034 8.212 1.994 -4.403 1.00 0.00 O ATOM 1813 CB LEU A1034 5.639 2.623 -2.290 1.00 0.00 C ATOM 1814 CG LEU A1034 6.056 1.321 -1.580 1.00 0.00 C ATOM 1815 CD1 LEU A1034 5.589 0.108 -2.366 1.00 0.00 C ATOM 1816 CD2 LEU A1034 7.560 1.263 -1.352 1.00 0.00 C ATOM 0 H LEU A1034 5.216 4.803 -3.363 1.00 0.00 H new ATOM 0 HA LEU A1034 7.599 3.471 -2.465 1.00 0.00 H new ATOM 0 HB2 LEU A1034 5.253 3.309 -1.536 1.00 0.00 H new ATOM 0 HB3 LEU A1034 4.813 2.391 -2.962 1.00 0.00 H new ATOM 0 HG LEU A1034 5.573 1.311 -0.603 1.00 0.00 H new ATOM 0 HD11 LEU A1034 5.894 -0.801 -1.847 1.00 0.00 H new ATOM 0 HD12 LEU A1034 4.503 0.128 -2.455 1.00 0.00 H new ATOM 0 HD13 LEU A1034 6.035 0.125 -3.360 1.00 0.00 H new ATOM 0 HD21 LEU A1034 7.816 0.330 -0.849 1.00 0.00 H new ATOM 0 HD22 LEU A1034 8.076 1.311 -2.311 1.00 0.00 H new ATOM 0 HD23 LEU A1034 7.867 2.106 -0.732 1.00 0.00 H new ATOM 1828 N ARG A1035 6.276 2.617 -5.365 1.00 0.00 N ATOM 1829 CA ARG A1035 6.566 1.977 -6.642 1.00 0.00 C ATOM 1830 C ARG A1035 7.768 2.640 -7.305 1.00 0.00 C ATOM 1831 O ARG A1035 8.637 1.968 -7.865 1.00 0.00 O ATOM 1832 CB ARG A1035 5.341 2.051 -7.565 1.00 0.00 C ATOM 1833 CG ARG A1035 5.572 1.425 -8.929 1.00 0.00 C ATOM 1834 CD ARG A1035 4.285 1.318 -9.728 1.00 0.00 C ATOM 1835 NE ARG A1035 4.512 0.694 -11.031 1.00 0.00 N ATOM 1836 CZ ARG A1035 3.656 -0.139 -11.625 1.00 0.00 C ATOM 1837 NH1 ARG A1035 2.509 -0.466 -11.036 1.00 0.00 N ATOM 1838 NH2 ARG A1035 3.954 -0.655 -12.810 1.00 0.00 N ATOM 0 H ARG A1035 5.371 3.085 -5.327 1.00 0.00 H new ATOM 0 HA ARG A1035 6.803 0.929 -6.460 1.00 0.00 H new ATOM 0 HB2 ARG A1035 4.501 1.551 -7.082 1.00 0.00 H new ATOM 0 HB3 ARG A1035 5.058 3.095 -7.697 1.00 0.00 H new ATOM 0 HG2 ARG A1035 6.296 2.022 -9.484 1.00 0.00 H new ATOM 0 HG3 ARG A1035 6.006 0.433 -8.804 1.00 0.00 H new ATOM 0 HD2 ARG A1035 3.555 0.735 -9.167 1.00 0.00 H new ATOM 0 HD3 ARG A1035 3.859 2.312 -9.869 1.00 0.00 H new ATOM 0 HE ARG A1035 5.382 0.910 -11.518 1.00 0.00 H new ATOM 0 HH11 ARG A1035 2.277 -0.079 -10.121 1.00 0.00 H new ATOM 0 HH12 ARG A1035 1.862 -1.104 -11.499 1.00 0.00 H new ATOM 0 HH21 ARG A1035 4.835 -0.415 -13.264 1.00 0.00 H new ATOM 0 HH22 ARG A1035 3.302 -1.292 -13.267 1.00 0.00 H new ATOM 1852 N THR A1036 7.817 3.963 -7.218 1.00 0.00 N ATOM 1853 CA THR A1036 8.916 4.734 -7.778 1.00 0.00 C ATOM 1854 C THR A1036 10.224 4.432 -7.040 1.00 0.00 C ATOM 1855 O THR A1036 11.297 4.380 -7.648 1.00 0.00 O ATOM 1856 CB THR A1036 8.607 6.245 -7.707 1.00 0.00 C ATOM 1857 OG1 THR A1036 7.368 6.518 -8.377 1.00 0.00 O ATOM 1858 CG2 THR A1036 9.716 7.071 -8.340 1.00 0.00 C ATOM 0 H THR A1036 7.101 4.527 -6.760 1.00 0.00 H new ATOM 0 HA THR A1036 9.033 4.446 -8.823 1.00 0.00 H new ATOM 0 HB THR A1036 8.533 6.523 -6.656 1.00 0.00 H new ATOM 0 HG1 THR A1036 6.627 6.136 -7.862 1.00 0.00 H new ATOM 0 HG21 THR A1036 9.465 8.130 -8.272 1.00 0.00 H new ATOM 0 HG22 THR A1036 10.653 6.886 -7.815 1.00 0.00 H new ATOM 0 HG23 THR A1036 9.826 6.791 -9.388 1.00 0.00 H new ATOM 1866 N ALA A1037 10.124 4.213 -5.733 1.00 0.00 N ATOM 1867 CA ALA A1037 11.287 3.917 -4.909 1.00 0.00 C ATOM 1868 C ALA A1037 11.917 2.590 -5.310 1.00 0.00 C ATOM 1869 O ALA A1037 13.112 2.528 -5.597 1.00 0.00 O ATOM 1870 CB ALA A1037 10.899 3.900 -3.437 1.00 0.00 C ATOM 0 H ALA A1037 9.242 4.236 -5.220 1.00 0.00 H new ATOM 0 HA ALA A1037 12.026 4.702 -5.068 1.00 0.00 H new ATOM 0 HB1 ALA A1037 11.778 3.677 -2.832 1.00 0.00 H new ATOM 0 HB2 ALA A1037 10.501 4.875 -3.154 1.00 0.00 H new ATOM 0 HB3 ALA A1037 10.140 3.136 -3.270 1.00 0.00 H new ATOM 1876 N ALA A1038 11.105 1.538 -5.347 1.00 0.00 N ATOM 1877 CA ALA A1038 11.590 0.207 -5.691 1.00 0.00 C ATOM 1878 C ALA A1038 12.155 0.176 -7.104 1.00 0.00 C ATOM 1879 O ALA A1038 13.140 -0.508 -7.374 1.00 0.00 O ATOM 1880 CB ALA A1038 10.482 -0.825 -5.547 1.00 0.00 C ATOM 0 H ALA A1038 10.107 1.582 -5.143 1.00 0.00 H new ATOM 0 HA ALA A1038 12.392 -0.042 -4.996 1.00 0.00 H new ATOM 0 HB1 ALA A1038 10.867 -1.811 -5.809 1.00 0.00 H new ATOM 0 HB2 ALA A1038 10.127 -0.836 -4.517 1.00 0.00 H new ATOM 0 HB3 ALA A1038 9.657 -0.569 -6.212 1.00 0.00 H new ATOM 1886 N GLN A1039 11.531 0.933 -7.999 1.00 0.00 N ATOM 1887 CA GLN A1039 11.976 0.994 -9.382 1.00 0.00 C ATOM 1888 C GLN A1039 13.385 1.573 -9.470 1.00 0.00 C ATOM 1889 O GLN A1039 14.275 0.966 -10.056 1.00 0.00 O ATOM 1890 CB GLN A1039 11.014 1.834 -10.223 1.00 0.00 C ATOM 1891 CG GLN A1039 11.350 1.830 -11.704 1.00 0.00 C ATOM 1892 CD GLN A1039 10.398 2.676 -12.520 1.00 0.00 C ATOM 1893 OE1 GLN A1039 9.363 2.195 -12.981 1.00 0.00 O ATOM 1894 NE2 GLN A1039 10.747 3.936 -12.717 1.00 0.00 N ATOM 0 H GLN A1039 10.717 1.511 -7.790 1.00 0.00 H new ATOM 0 HA GLN A1039 11.989 -0.022 -9.776 1.00 0.00 H new ATOM 0 HB2 GLN A1039 10.000 1.458 -10.087 1.00 0.00 H new ATOM 0 HB3 GLN A1039 11.025 2.861 -9.858 1.00 0.00 H new ATOM 0 HG2 GLN A1039 12.367 2.198 -11.843 1.00 0.00 H new ATOM 0 HG3 GLN A1039 11.328 0.805 -12.075 1.00 0.00 H new ATOM 0 HE21 GLN A1039 11.614 4.294 -12.316 1.00 0.00 H new ATOM 0 HE22 GLN A1039 10.149 4.550 -13.270 1.00 0.00 H new ATOM 1903 N LYS A1040 13.590 2.736 -8.864 1.00 0.00 N ATOM 1904 CA LYS A1040 14.887 3.404 -8.922 1.00 0.00 C ATOM 1905 C LYS A1040 15.943 2.633 -8.135 1.00 0.00 C ATOM 1906 O LYS A1040 17.136 2.795 -8.362 1.00 0.00 O ATOM 1907 CB LYS A1040 14.780 4.837 -8.400 1.00 0.00 C ATOM 1908 CG LYS A1040 13.894 5.729 -9.255 1.00 0.00 C ATOM 1909 CD LYS A1040 13.897 7.170 -8.765 1.00 0.00 C ATOM 1910 CE LYS A1040 13.337 7.290 -7.357 1.00 0.00 C ATOM 1911 NZ LYS A1040 13.238 8.708 -6.921 1.00 0.00 N ATOM 0 H LYS A1040 12.880 3.235 -8.329 1.00 0.00 H new ATOM 0 HA LYS A1040 15.197 3.434 -9.967 1.00 0.00 H new ATOM 0 HB2 LYS A1040 14.388 4.817 -7.383 1.00 0.00 H new ATOM 0 HB3 LYS A1040 15.778 5.272 -8.348 1.00 0.00 H new ATOM 0 HG2 LYS A1040 14.237 5.697 -10.289 1.00 0.00 H new ATOM 0 HG3 LYS A1040 12.874 5.344 -9.245 1.00 0.00 H new ATOM 0 HD2 LYS A1040 14.915 7.558 -8.785 1.00 0.00 H new ATOM 0 HD3 LYS A1040 13.307 7.786 -9.444 1.00 0.00 H new ATOM 0 HE2 LYS A1040 12.351 6.828 -7.318 1.00 0.00 H new ATOM 0 HE3 LYS A1040 13.974 6.740 -6.664 1.00 0.00 H new ATOM 0 HZ1 LYS A1040 12.616 8.773 -6.090 1.00 0.00 H new ATOM 0 HZ2 LYS A1040 14.184 9.062 -6.673 1.00 0.00 H new ATOM 0 HZ3 LYS A1040 12.845 9.282 -7.694 1.00 0.00 H new ATOM 1925 N ALA A1041 15.504 1.792 -7.214 1.00 0.00 N ATOM 1926 CA ALA A1041 16.428 0.978 -6.442 1.00 0.00 C ATOM 1927 C ALA A1041 16.815 -0.280 -7.211 1.00 0.00 C ATOM 1928 O ALA A1041 17.848 -0.894 -6.940 1.00 0.00 O ATOM 1929 CB ALA A1041 15.819 0.614 -5.099 1.00 0.00 C ATOM 0 H ALA A1041 14.520 1.655 -6.983 1.00 0.00 H new ATOM 0 HA ALA A1041 17.332 1.561 -6.267 1.00 0.00 H new ATOM 0 HB1 ALA A1041 16.524 0.004 -4.533 1.00 0.00 H new ATOM 0 HB2 ALA A1041 15.597 1.524 -4.541 1.00 0.00 H new ATOM 0 HB3 ALA A1041 14.899 0.052 -5.257 1.00 0.00 H new ATOM 1935 N GLN A1042 15.990 -0.655 -8.182 1.00 0.00 N ATOM 1936 CA GLN A1042 16.219 -1.879 -8.935 1.00 0.00 C ATOM 1937 C GLN A1042 16.820 -1.579 -10.308 1.00 0.00 C ATOM 1938 O GLN A1042 17.720 -2.282 -10.763 1.00 0.00 O ATOM 1939 CB GLN A1042 14.904 -2.663 -9.082 1.00 0.00 C ATOM 1940 CG GLN A1042 15.089 -4.114 -9.517 1.00 0.00 C ATOM 1941 CD GLN A1042 15.294 -4.280 -11.012 1.00 0.00 C ATOM 1942 OE1 GLN A1042 14.629 -3.455 -11.802 1.00 0.00 O flip ATOM 1943 NE2 GLN A1042 16.025 -5.167 -11.453 1.00 0.00 N flip ATOM 0 H GLN A1042 15.161 -0.131 -8.464 1.00 0.00 H new ATOM 0 HA GLN A1042 16.935 -2.489 -8.384 1.00 0.00 H new ATOM 0 HB2 GLN A1042 14.374 -2.645 -8.129 1.00 0.00 H new ATOM 0 HB3 GLN A1042 14.270 -2.155 -9.809 1.00 0.00 H new ATOM 0 HG2 GLN A1042 15.947 -4.535 -8.992 1.00 0.00 H new ATOM 0 HG3 GLN A1042 14.215 -4.690 -9.213 1.00 0.00 H new ATOM 0 HE21 GLN A1042 16.522 -5.784 -10.811 1.00 0.00 H new ATOM 0 HE22 GLN A1042 16.134 -5.284 -12.460 1.00 0.00 H new ATOM 1952 N GLU A1043 16.337 -0.528 -10.957 1.00 0.00 N ATOM 1953 CA GLU A1043 16.743 -0.227 -12.322 1.00 0.00 C ATOM 1954 C GLU A1043 17.105 1.248 -12.482 1.00 0.00 C ATOM 1955 O GLU A1043 16.383 2.024 -13.110 1.00 0.00 O ATOM 1956 CB GLU A1043 15.645 -0.634 -13.314 1.00 0.00 C ATOM 1957 CG GLU A1043 14.257 -0.122 -12.947 1.00 0.00 C ATOM 1958 CD GLU A1043 13.177 -0.647 -13.867 1.00 0.00 C ATOM 1959 OE1 GLU A1043 12.710 -1.788 -13.664 1.00 0.00 O ATOM 1960 OE2 GLU A1043 12.783 0.085 -14.797 1.00 0.00 O ATOM 0 H GLU A1043 15.665 0.129 -10.561 1.00 0.00 H new ATOM 0 HA GLU A1043 17.637 -0.810 -12.542 1.00 0.00 H new ATOM 0 HB2 GLU A1043 15.908 -0.262 -14.304 1.00 0.00 H new ATOM 0 HB3 GLU A1043 15.614 -1.722 -13.380 1.00 0.00 H new ATOM 0 HG2 GLU A1043 14.027 -0.412 -11.922 1.00 0.00 H new ATOM 0 HG3 GLU A1043 14.257 0.968 -12.978 1.00 0.00 H new ATOM 1967 N ALA A1044 18.210 1.629 -11.872 1.00 0.00 N ATOM 1968 CA ALA A1044 18.761 2.964 -12.042 1.00 0.00 C ATOM 1969 C ALA A1044 20.170 2.873 -12.606 1.00 0.00 C ATOM 1970 O ALA A1044 20.319 2.939 -13.842 1.00 0.00 O ATOM 1971 CB ALA A1044 18.761 3.727 -10.728 1.00 0.00 C ATOM 1972 OXT ALA A1044 21.119 2.701 -11.811 1.00 0.00 O ATOM 0 H ALA A1044 18.750 1.029 -11.248 1.00 0.00 H new ATOM 0 HA ALA A1044 18.131 3.511 -12.744 1.00 0.00 H new ATOM 0 HB1 ALA A1044 19.178 4.722 -10.885 1.00 0.00 H new ATOM 0 HB2 ALA A1044 17.739 3.816 -10.359 1.00 0.00 H new ATOM 0 HB3 ALA A1044 19.366 3.191 -9.996 1.00 0.00 H new TER 1978 ALA A1044