USER MOD reduce.3.24.130724 H: found=0, std=0, add=1160, rem=0, adj=41 USER MOD reduce.3.24.130724 removed 1155 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: A1003 LYS NZ :NH3+ 142:sc= 0.759 (180deg=-0.527) USER MOD Set 1.2: A1006 GLN : amide:sc= 0.592! K(o=1.1!,f=-4.3) USER MOD Set 1.3: A1007 GLN : amide:sc= -0.209 X(o=1.1,f=0.81) USER MOD Set 2.1: A 954 MET CE :methyl 156:sc= -2.91! (180deg=-2.39!) USER MOD Set 2.2: A1021 MET CE :methyl -144:sc= -4.09! (180deg=-5.05!) USER MOD Set 3.1: A 944 GLN :FLIP amide:sc= -3.11! X(o=-5.6,f=-5.6!) USER MOD Set 3.2: A 951 TYR OH : rot 40:sc= -0.97 USER MOD Set 3.3: A1014 GLN :FLIP amide:sc= -1.31 X(o=-5.6!,f=-5.6) USER MOD Set 3.4: A1015 GLN :FLIP amide:sc= -0.192 F(o=-6.5,f=-5.6) USER MOD Set 4.1: A 940 SER OG : rot -100:sc= -0.202 USER MOD Set 4.2: A 941 SER OG : rot 180:sc= 0 USER MOD Set 5.1: A 928 ASN : amide:sc= -2.11 K(o=-2.5,f=-11!) USER MOD Set 5.2: A 968 THR OG1 : rot -132:sc= -0.417 USER MOD Single : A 909 SER OG : rot 180:sc= 0 USER MOD Single : A 913 SER OG : rot 43:sc= 0.0688 USER MOD Single : A 921 SER OG : rot 180:sc= 0 USER MOD Single : A 922 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 924 LYS NZ :NH3+ 166:sc= -0.0166 (180deg=-0.218) USER MOD Single : A 926 TYR OH : rot 130:sc= 0 USER MOD Single : A 930 THR OG1 : rot 180:sc= -0.636 USER MOD Single : A 934 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 939 MET CE :methyl 133:sc= -0.116 (180deg=-2.09!) USER MOD Single : A 942 LYS NZ :NH3+ 155:sc= -0.089 (180deg=-0.608) USER MOD Single : A 956 LYS NZ :NH3+ -150:sc= 1.19 (180deg=0.993) USER MOD Single : A 964 THR OG1 : rot 98:sc= 1.31 USER MOD Single : A 972 SER OG : rot 84:sc= 1.27 USER MOD Single : A 979 SER OG : rot 170:sc= 1.12 USER MOD Single : A 980 THR OG1 : rot 180:sc= -0.576 USER MOD Single : A 981 HIS : no HD1:sc= -1.37 X(o=-1.4,f=-1.3) USER MOD Single : A 986 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 988 GLN :FLIP amide:sc= -0.574 F(o=-4.6!,f=-0.57) USER MOD Single : A 989 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 992 ASN : amide:sc= -0.603 K(o=-0.6,f=-3.2!) USER MOD Single : A 993 SER OG : rot 180:sc= 0 USER MOD Single : A1000 ASN : amide:sc= 1.16 K(o=1.2,f=-0.063) USER MOD Single : A1001 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00444) USER MOD Single : A1002 MET CE :methyl 151:sc= -4.96! (180deg=-7.11!) USER MOD Single : A1008 TYR OH : rot 180:sc= 0 USER MOD Single : A1010 MET CE :methyl 169:sc= 0 (180deg=-0.163) USER MOD Single : A1011 THR OG1 : rot 180:sc= -0.0682 USER MOD Single : A1012 SER OG : rot 180:sc= 0 USER MOD Single : A1017 TYR OH : rot 180:sc= -0.342 USER MOD Single : A1018 LYS NZ :NH3+ -166:sc= 1.48 (180deg=0.975) USER MOD Single : A1019 LYS NZ :NH3+ 176:sc= -0.178 (180deg=-0.192) USER MOD Single : A1020 GLN :FLIP amide:sc= 0 F(o=-1.3,f=0) USER MOD Single : A1023 THR OG1 : rot 65:sc= 1.33 USER MOD Single : A1026 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A1033 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A1034 ASN : amide:sc=-0.00271 X(o=-0.0027,f=0) USER MOD Single : A1041 GLN :FLIP amide:sc= -0.453 F(o=-2.2!,f=-0.45) USER MOD Single : A1045 LYS NZ :NH3+ -151:sc= -1.28 (180deg=-3.98!) USER MOD Single : A1046 MET CE :methyl -158:sc= -0.28 (180deg=-1.04) USER MOD Single : A1048 SER OG : rot 180:sc= 0 USER MOD Single : A1049 GLN : amide:sc= -0.294 K(o=-0.29,f=-0.9) USER MOD Single : A1050 SER OG : rot 180:sc= 0 USER MOD Single : A1053 HIS : no HD1:sc= -10.2! C(o=-10!,f=-13!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 908 9.514 -21.417 -25.050 1.00 0.00 N ATOM 2 CA GLY A 908 8.417 -21.675 -24.087 1.00 0.00 C ATOM 3 C GLY A 908 7.521 -20.470 -23.919 1.00 0.00 C ATOM 4 O GLY A 908 7.999 -19.335 -23.892 1.00 0.00 O ATOM 0 HA2 GLY A 908 7.825 -22.523 -24.430 1.00 0.00 H new ATOM 0 HA3 GLY A 908 8.839 -21.951 -23.121 1.00 0.00 H new ATOM 9 N SER A 909 6.220 -20.702 -23.817 1.00 0.00 N ATOM 10 CA SER A 909 5.272 -19.614 -23.628 1.00 0.00 C ATOM 11 C SER A 909 5.280 -19.119 -22.172 1.00 0.00 C ATOM 12 O SER A 909 5.484 -17.928 -21.932 1.00 0.00 O ATOM 13 CB SER A 909 3.872 -20.049 -24.068 1.00 0.00 C ATOM 14 OG SER A 909 3.897 -20.545 -25.398 1.00 0.00 O ATOM 0 H SER A 909 5.798 -21.630 -23.862 1.00 0.00 H new ATOM 0 HA SER A 909 5.577 -18.775 -24.254 1.00 0.00 H new ATOM 0 HB2 SER A 909 3.496 -20.819 -23.394 1.00 0.00 H new ATOM 0 HB3 SER A 909 3.186 -19.205 -24.002 1.00 0.00 H new ATOM 0 HG SER A 909 2.994 -20.820 -25.662 1.00 0.00 H new ATOM 20 N PRO A 910 5.070 -20.006 -21.172 1.00 0.00 N ATOM 21 CA PRO A 910 5.171 -19.634 -19.768 1.00 0.00 C ATOM 22 C PRO A 910 6.608 -19.739 -19.267 1.00 0.00 C ATOM 23 O PRO A 910 7.099 -20.833 -18.969 1.00 0.00 O ATOM 24 CB PRO A 910 4.270 -20.651 -19.047 1.00 0.00 C ATOM 25 CG PRO A 910 3.833 -21.640 -20.089 1.00 0.00 C ATOM 26 CD PRO A 910 4.701 -21.417 -21.297 1.00 0.00 C ATOM 0 HA PRO A 910 4.870 -18.601 -19.593 1.00 0.00 H new ATOM 0 HB2 PRO A 910 4.811 -21.148 -18.242 1.00 0.00 H new ATOM 0 HB3 PRO A 910 3.410 -20.157 -18.595 1.00 0.00 H new ATOM 0 HG2 PRO A 910 3.939 -22.660 -19.721 1.00 0.00 H new ATOM 0 HG3 PRO A 910 2.781 -21.499 -20.338 1.00 0.00 H new ATOM 0 HD2 PRO A 910 5.576 -22.066 -21.292 1.00 0.00 H new ATOM 0 HD3 PRO A 910 4.163 -21.614 -22.224 1.00 0.00 H new ATOM 34 N GLY A 911 7.292 -18.606 -19.213 1.00 0.00 N ATOM 35 CA GLY A 911 8.666 -18.590 -18.760 1.00 0.00 C ATOM 36 C GLY A 911 8.798 -18.016 -17.368 1.00 0.00 C ATOM 37 O GLY A 911 9.549 -18.534 -16.540 1.00 0.00 O ATOM 0 H GLY A 911 6.918 -17.694 -19.476 1.00 0.00 H new ATOM 0 HA2 GLY A 911 9.063 -19.605 -18.773 1.00 0.00 H new ATOM 0 HA3 GLY A 911 9.269 -18.003 -19.453 1.00 0.00 H new ATOM 40 N ILE A 912 8.073 -16.936 -17.121 1.00 0.00 N ATOM 41 CA ILE A 912 8.062 -16.298 -15.811 1.00 0.00 C ATOM 42 C ILE A 912 6.645 -16.288 -15.249 1.00 0.00 C ATOM 43 O ILE A 912 6.420 -16.621 -14.081 1.00 0.00 O ATOM 44 CB ILE A 912 8.601 -14.847 -15.878 1.00 0.00 C ATOM 45 CG1 ILE A 912 10.061 -14.834 -16.340 1.00 0.00 C ATOM 46 CG2 ILE A 912 8.463 -14.154 -14.529 1.00 0.00 C ATOM 47 CD1 ILE A 912 11.002 -15.599 -15.429 1.00 0.00 C ATOM 0 H ILE A 912 7.481 -16.480 -17.815 1.00 0.00 H new ATOM 0 HA ILE A 912 8.717 -16.874 -15.157 1.00 0.00 H new ATOM 0 HB ILE A 912 8.004 -14.298 -16.606 1.00 0.00 H new ATOM 0 HG12 ILE A 912 10.118 -15.257 -17.343 1.00 0.00 H new ATOM 0 HG13 ILE A 912 10.400 -13.800 -16.411 1.00 0.00 H new ATOM 0 HG21 ILE A 912 8.848 -13.137 -14.601 1.00 0.00 H new ATOM 0 HG22 ILE A 912 7.412 -14.124 -14.241 1.00 0.00 H new ATOM 0 HG23 ILE A 912 9.030 -14.704 -13.778 1.00 0.00 H new ATOM 0 HD11 ILE A 912 12.016 -15.543 -15.824 1.00 0.00 H new ATOM 0 HD12 ILE A 912 10.977 -15.163 -14.430 1.00 0.00 H new ATOM 0 HD13 ILE A 912 10.690 -16.642 -15.377 1.00 0.00 H new ATOM 59 N SER A 913 5.696 -15.911 -16.092 1.00 0.00 N ATOM 60 CA SER A 913 4.298 -15.868 -15.705 1.00 0.00 C ATOM 61 C SER A 913 3.705 -17.274 -15.651 1.00 0.00 C ATOM 62 O SER A 913 3.542 -17.937 -16.677 1.00 0.00 O ATOM 63 CB SER A 913 3.525 -14.983 -16.683 1.00 0.00 C ATOM 64 OG SER A 913 3.913 -15.245 -18.025 1.00 0.00 O ATOM 0 H SER A 913 5.873 -15.629 -17.056 1.00 0.00 H new ATOM 0 HA SER A 913 4.218 -15.441 -14.705 1.00 0.00 H new ATOM 0 HB2 SER A 913 2.455 -15.158 -16.569 1.00 0.00 H new ATOM 0 HB3 SER A 913 3.703 -13.934 -16.448 1.00 0.00 H new ATOM 0 HG SER A 913 3.993 -16.212 -18.159 1.00 0.00 H new ATOM 70 N GLY A 914 3.409 -17.730 -14.440 1.00 0.00 N ATOM 71 CA GLY A 914 2.846 -19.050 -14.263 1.00 0.00 C ATOM 72 C GLY A 914 3.780 -19.968 -13.501 1.00 0.00 C ATOM 73 O GLY A 914 4.771 -19.516 -12.920 1.00 0.00 O ATOM 0 H GLY A 914 3.550 -17.206 -13.577 1.00 0.00 H new ATOM 0 HA2 GLY A 914 1.899 -18.972 -13.729 1.00 0.00 H new ATOM 0 HA3 GLY A 914 2.627 -19.484 -15.238 1.00 0.00 H new ATOM 75 N GLY A 915 3.466 -21.255 -13.497 1.00 0.00 N ATOM 76 CA GLY A 915 4.298 -22.222 -12.809 1.00 0.00 C ATOM 77 C GLY A 915 3.491 -23.133 -11.910 1.00 0.00 C ATOM 78 O GLY A 915 4.024 -24.070 -11.315 1.00 0.00 O ATOM 0 H GLY A 915 2.647 -21.649 -13.960 1.00 0.00 H new ATOM 0 HA2 GLY A 915 4.837 -22.822 -13.542 1.00 0.00 H new ATOM 0 HA3 GLY A 915 5.046 -21.698 -12.215 1.00 0.00 H new ATOM 81 N GLY A 916 2.196 -22.868 -11.829 1.00 0.00 N ATOM 82 CA GLY A 916 1.333 -23.621 -10.943 1.00 0.00 C ATOM 83 C GLY A 916 0.385 -22.714 -10.192 1.00 0.00 C ATOM 84 O GLY A 916 0.491 -22.554 -8.978 1.00 0.00 O ATOM 0 H GLY A 916 1.725 -22.140 -12.365 1.00 0.00 H new ATOM 0 HA2 GLY A 916 0.762 -24.348 -11.520 1.00 0.00 H new ATOM 0 HA3 GLY A 916 1.940 -24.183 -10.233 1.00 0.00 H new ATOM 87 N GLY A 917 -0.538 -22.110 -10.923 1.00 0.00 N ATOM 88 CA GLY A 917 -1.443 -21.144 -10.333 1.00 0.00 C ATOM 89 C GLY A 917 -1.246 -19.768 -10.927 1.00 0.00 C ATOM 90 O GLY A 917 -2.125 -19.246 -11.609 1.00 0.00 O ATOM 0 H GLY A 917 -0.678 -22.272 -11.920 1.00 0.00 H new ATOM 0 HA2 GLY A 917 -2.473 -21.465 -10.489 1.00 0.00 H new ATOM 0 HA3 GLY A 917 -1.282 -21.103 -9.256 1.00 0.00 H new ATOM 93 N GLY A 918 -0.078 -19.189 -10.677 1.00 0.00 N ATOM 94 CA GLY A 918 0.245 -17.886 -11.227 1.00 0.00 C ATOM 95 C GLY A 918 -0.311 -16.752 -10.392 1.00 0.00 C ATOM 96 O GLY A 918 -1.496 -16.753 -10.051 1.00 0.00 O ATOM 0 H GLY A 918 0.655 -19.601 -10.100 1.00 0.00 H new ATOM 0 HA2 GLY A 918 1.328 -17.783 -11.299 1.00 0.00 H new ATOM 0 HA3 GLY A 918 -0.150 -17.815 -12.240 1.00 0.00 H new ATOM 99 N ILE A 919 0.548 -15.803 -10.029 1.00 0.00 N ATOM 100 CA ILE A 919 0.153 -14.643 -9.303 1.00 0.00 C ATOM 101 C ILE A 919 -0.955 -13.863 -10.023 1.00 0.00 C ATOM 102 O ILE A 919 -1.087 -13.918 -11.248 1.00 0.00 O ATOM 103 CB ILE A 919 1.392 -13.751 -9.041 1.00 0.00 C ATOM 104 CG1 ILE A 919 1.166 -12.351 -9.574 1.00 0.00 C ATOM 105 CG2 ILE A 919 2.655 -14.330 -9.680 1.00 0.00 C ATOM 106 CD1 ILE A 919 2.210 -11.355 -9.146 1.00 0.00 C ATOM 0 H ILE A 919 1.545 -15.837 -10.243 1.00 0.00 H new ATOM 0 HA ILE A 919 -0.266 -14.961 -8.348 1.00 0.00 H new ATOM 0 HB ILE A 919 1.534 -13.716 -7.961 1.00 0.00 H new ATOM 0 HG12 ILE A 919 1.140 -12.388 -10.663 1.00 0.00 H new ATOM 0 HG13 ILE A 919 0.188 -12.001 -9.243 1.00 0.00 H new ATOM 0 HG21 ILE A 919 3.501 -13.674 -9.473 1.00 0.00 H new ATOM 0 HG22 ILE A 919 2.852 -15.319 -9.265 1.00 0.00 H new ATOM 0 HG23 ILE A 919 2.514 -14.410 -10.758 1.00 0.00 H new ATOM 0 HD11 ILE A 919 1.976 -10.378 -9.569 1.00 0.00 H new ATOM 0 HD12 ILE A 919 2.223 -11.286 -8.058 1.00 0.00 H new ATOM 0 HD13 ILE A 919 3.189 -11.679 -9.500 1.00 0.00 H new ATOM 118 N ARG A 920 -1.730 -13.154 -9.204 1.00 0.00 N ATOM 119 CA ARG A 920 -2.902 -12.376 -9.601 1.00 0.00 C ATOM 120 C ARG A 920 -4.097 -13.314 -9.682 1.00 0.00 C ATOM 121 O ARG A 920 -4.357 -13.940 -10.705 1.00 0.00 O ATOM 122 CB ARG A 920 -2.670 -11.581 -10.901 1.00 0.00 C ATOM 123 CG ARG A 920 -3.694 -10.482 -11.186 1.00 0.00 C ATOM 124 CD ARG A 920 -5.010 -11.039 -11.713 1.00 0.00 C ATOM 125 NE ARG A 920 -4.816 -11.895 -12.884 1.00 0.00 N ATOM 126 CZ ARG A 920 -5.677 -12.830 -13.281 1.00 0.00 C ATOM 127 NH1 ARG A 920 -6.863 -12.945 -12.695 1.00 0.00 N ATOM 128 NH2 ARG A 920 -5.363 -13.618 -14.300 1.00 0.00 N ATOM 0 H ARG A 920 -1.550 -13.104 -8.201 1.00 0.00 H new ATOM 0 HA ARG A 920 -3.103 -11.614 -8.848 1.00 0.00 H new ATOM 0 HB2 ARG A 920 -1.679 -11.129 -10.859 1.00 0.00 H new ATOM 0 HB3 ARG A 920 -2.667 -12.279 -11.739 1.00 0.00 H new ATOM 0 HG2 ARG A 920 -3.881 -9.917 -10.273 1.00 0.00 H new ATOM 0 HG3 ARG A 920 -3.281 -9.783 -11.914 1.00 0.00 H new ATOM 0 HD2 ARG A 920 -5.503 -11.609 -10.926 1.00 0.00 H new ATOM 0 HD3 ARG A 920 -5.674 -10.215 -11.973 1.00 0.00 H new ATOM 0 HE ARG A 920 -3.965 -11.767 -13.432 1.00 0.00 H new ATOM 0 HH11 ARG A 920 -7.120 -12.315 -11.935 1.00 0.00 H new ATOM 0 HH12 ARG A 920 -7.517 -13.664 -13.005 1.00 0.00 H new ATOM 0 HH21 ARG A 920 -4.467 -13.506 -14.774 1.00 0.00 H new ATOM 0 HH22 ARG A 920 -6.017 -14.336 -14.610 1.00 0.00 H new ATOM 142 N SER A 921 -4.790 -13.433 -8.560 1.00 0.00 N ATOM 143 CA SER A 921 -5.874 -14.393 -8.423 1.00 0.00 C ATOM 144 C SER A 921 -7.206 -13.693 -8.161 1.00 0.00 C ATOM 145 O SER A 921 -8.090 -14.258 -7.518 1.00 0.00 O ATOM 146 CB SER A 921 -5.543 -15.342 -7.270 1.00 0.00 C ATOM 147 OG SER A 921 -4.161 -15.669 -7.268 1.00 0.00 O ATOM 0 H SER A 921 -4.619 -12.872 -7.725 1.00 0.00 H new ATOM 0 HA SER A 921 -5.974 -14.951 -9.354 1.00 0.00 H new ATOM 0 HB2 SER A 921 -5.813 -14.877 -6.322 1.00 0.00 H new ATOM 0 HB3 SER A 921 -6.137 -16.252 -7.360 1.00 0.00 H new ATOM 0 HG SER A 921 -3.969 -16.275 -6.522 1.00 0.00 H new ATOM 153 N ASN A 922 -7.341 -12.471 -8.682 1.00 0.00 N ATOM 154 CA ASN A 922 -8.550 -11.656 -8.499 1.00 0.00 C ATOM 155 C ASN A 922 -8.736 -11.328 -7.018 1.00 0.00 C ATOM 156 O ASN A 922 -9.411 -12.059 -6.289 1.00 0.00 O ATOM 157 CB ASN A 922 -9.789 -12.382 -9.047 1.00 0.00 C ATOM 158 CG ASN A 922 -10.999 -11.474 -9.157 1.00 0.00 C ATOM 159 OD1 ASN A 922 -11.187 -10.795 -10.168 1.00 0.00 O ATOM 160 ND2 ASN A 922 -11.837 -11.474 -8.134 1.00 0.00 N ATOM 0 H ASN A 922 -6.619 -12.017 -9.242 1.00 0.00 H new ATOM 0 HA ASN A 922 -8.430 -10.727 -9.057 1.00 0.00 H new ATOM 0 HB2 ASN A 922 -9.559 -12.794 -10.029 1.00 0.00 H new ATOM 0 HB3 ASN A 922 -10.029 -13.223 -8.397 1.00 0.00 H new ATOM 0 HD21 ASN A 922 -12.677 -10.897 -8.163 1.00 0.00 H new ATOM 0 HD22 ASN A 922 -11.643 -12.051 -7.316 1.00 0.00 H new ATOM 167 N ASP A 923 -8.125 -10.244 -6.563 1.00 0.00 N ATOM 168 CA ASP A 923 -8.004 -10.036 -5.127 1.00 0.00 C ATOM 169 C ASP A 923 -8.399 -8.645 -4.632 1.00 0.00 C ATOM 170 O ASP A 923 -8.066 -7.605 -5.204 1.00 0.00 O ATOM 171 CB ASP A 923 -6.590 -10.356 -4.663 1.00 0.00 C ATOM 172 CG ASP A 923 -6.586 -10.903 -3.253 1.00 0.00 C ATOM 173 OD1 ASP A 923 -6.831 -10.123 -2.312 1.00 0.00 O ATOM 174 OD2 ASP A 923 -6.368 -12.126 -3.093 1.00 0.00 O ATOM 0 H ASP A 923 -7.716 -9.514 -7.147 1.00 0.00 H new ATOM 0 HA ASP A 923 -8.727 -10.722 -4.687 1.00 0.00 H new ATOM 0 HB2 ASP A 923 -6.139 -11.083 -5.339 1.00 0.00 H new ATOM 0 HB3 ASP A 923 -5.977 -9.456 -4.708 1.00 0.00 H new ATOM 179 N LYS A 924 -9.090 -8.681 -3.510 1.00 0.00 N ATOM 180 CA LYS A 924 -9.464 -7.496 -2.754 1.00 0.00 C ATOM 181 C LYS A 924 -8.261 -6.630 -2.390 1.00 0.00 C ATOM 182 O LYS A 924 -8.399 -5.411 -2.299 1.00 0.00 O ATOM 183 CB LYS A 924 -10.167 -7.914 -1.470 1.00 0.00 C ATOM 184 CG LYS A 924 -11.482 -8.635 -1.699 1.00 0.00 C ATOM 185 CD LYS A 924 -12.418 -7.804 -2.561 1.00 0.00 C ATOM 186 CE LYS A 924 -13.757 -8.493 -2.760 1.00 0.00 C ATOM 187 NZ LYS A 924 -14.493 -8.666 -1.478 1.00 0.00 N ATOM 0 H LYS A 924 -9.415 -9.551 -3.088 1.00 0.00 H new ATOM 0 HA LYS A 924 -10.124 -6.906 -3.390 1.00 0.00 H new ATOM 0 HB2 LYS A 924 -9.503 -8.562 -0.898 1.00 0.00 H new ATOM 0 HB3 LYS A 924 -10.350 -7.028 -0.862 1.00 0.00 H new ATOM 0 HG2 LYS A 924 -11.295 -9.595 -2.181 1.00 0.00 H new ATOM 0 HG3 LYS A 924 -11.956 -8.846 -0.741 1.00 0.00 H new ATOM 0 HD2 LYS A 924 -12.575 -6.831 -2.095 1.00 0.00 H new ATOM 0 HD3 LYS A 924 -11.955 -7.622 -3.531 1.00 0.00 H new ATOM 0 HE2 LYS A 924 -14.365 -7.910 -3.451 1.00 0.00 H new ATOM 0 HE3 LYS A 924 -13.598 -9.468 -3.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 924 -15.483 -8.916 -1.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 924 -14.049 -9.425 -0.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 924 -14.462 -7.778 -0.938 1.00 0.00 H new ATOM 201 N VAL A 925 -7.091 -7.236 -2.197 1.00 0.00 N ATOM 202 CA VAL A 925 -5.892 -6.469 -1.838 1.00 0.00 C ATOM 203 C VAL A 925 -5.616 -5.355 -2.858 1.00 0.00 C ATOM 204 O VAL A 925 -5.321 -4.225 -2.480 1.00 0.00 O ATOM 205 CB VAL A 925 -4.637 -7.363 -1.685 1.00 0.00 C ATOM 206 CG1 VAL A 925 -4.798 -8.327 -0.524 1.00 0.00 C ATOM 207 CG2 VAL A 925 -4.356 -8.131 -2.967 1.00 0.00 C ATOM 0 H VAL A 925 -6.944 -8.242 -2.281 1.00 0.00 H new ATOM 0 HA VAL A 925 -6.100 -6.020 -0.867 1.00 0.00 H new ATOM 0 HB VAL A 925 -3.788 -6.710 -1.480 1.00 0.00 H new ATOM 0 HG11 VAL A 925 -3.904 -8.944 -0.437 1.00 0.00 H new ATOM 0 HG12 VAL A 925 -4.942 -7.765 0.399 1.00 0.00 H new ATOM 0 HG13 VAL A 925 -5.664 -8.966 -0.699 1.00 0.00 H new ATOM 0 HG21 VAL A 925 -3.470 -8.751 -2.833 1.00 0.00 H new ATOM 0 HG22 VAL A 925 -5.210 -8.765 -3.206 1.00 0.00 H new ATOM 0 HG23 VAL A 925 -4.187 -7.428 -3.783 1.00 0.00 H new ATOM 217 N TYR A 926 -5.780 -5.648 -4.138 1.00 0.00 N ATOM 218 CA TYR A 926 -5.552 -4.656 -5.187 1.00 0.00 C ATOM 219 C TYR A 926 -6.726 -3.724 -5.312 1.00 0.00 C ATOM 220 O TYR A 926 -6.579 -2.634 -5.851 1.00 0.00 O ATOM 221 CB TYR A 926 -5.188 -5.287 -6.550 1.00 0.00 C ATOM 222 CG TYR A 926 -6.276 -6.090 -7.225 1.00 0.00 C ATOM 223 CD1 TYR A 926 -7.563 -5.598 -7.344 1.00 0.00 C ATOM 224 CD2 TYR A 926 -6.007 -7.343 -7.748 1.00 0.00 C ATOM 225 CE1 TYR A 926 -8.555 -6.320 -7.944 1.00 0.00 C ATOM 226 CE2 TYR A 926 -6.997 -8.078 -8.363 1.00 0.00 C ATOM 227 CZ TYR A 926 -8.273 -7.564 -8.458 1.00 0.00 C ATOM 228 OH TYR A 926 -9.262 -8.300 -9.066 1.00 0.00 O ATOM 0 H TYR A 926 -6.070 -6.564 -4.480 1.00 0.00 H new ATOM 0 HA TYR A 926 -4.682 -4.076 -4.880 1.00 0.00 H new ATOM 0 HB2 TYR A 926 -4.882 -4.489 -7.226 1.00 0.00 H new ATOM 0 HB3 TYR A 926 -4.323 -5.934 -6.408 1.00 0.00 H new ATOM 0 HD1 TYR A 926 -7.790 -4.617 -6.952 1.00 0.00 H new ATOM 0 HD2 TYR A 926 -5.009 -7.749 -7.673 1.00 0.00 H new ATOM 0 HE1 TYR A 926 -9.554 -5.917 -8.014 1.00 0.00 H new ATOM 0 HE2 TYR A 926 -6.774 -9.054 -8.769 1.00 0.00 H new ATOM 0 HH TYR A 926 -8.945 -8.617 -9.938 1.00 0.00 H new ATOM 238 N GLU A 927 -7.884 -4.104 -4.838 1.00 0.00 N ATOM 239 CA GLU A 927 -8.953 -3.138 -4.803 1.00 0.00 C ATOM 240 C GLU A 927 -8.828 -2.171 -3.633 1.00 0.00 C ATOM 241 O GLU A 927 -9.345 -1.053 -3.696 1.00 0.00 O ATOM 242 CB GLU A 927 -10.330 -3.732 -4.916 1.00 0.00 C ATOM 243 CG GLU A 927 -11.075 -2.984 -5.972 1.00 0.00 C ATOM 244 CD GLU A 927 -12.577 -3.007 -5.800 1.00 0.00 C ATOM 245 OE1 GLU A 927 -13.094 -2.232 -4.968 1.00 0.00 O ATOM 246 OE2 GLU A 927 -13.250 -3.783 -6.508 1.00 0.00 O ATOM 0 H GLU A 927 -8.108 -5.034 -4.484 1.00 0.00 H new ATOM 0 HA GLU A 927 -8.828 -2.552 -5.714 1.00 0.00 H new ATOM 0 HB2 GLU A 927 -10.268 -4.790 -5.171 1.00 0.00 H new ATOM 0 HB3 GLU A 927 -10.853 -3.665 -3.962 1.00 0.00 H new ATOM 0 HG2 GLU A 927 -10.736 -1.948 -5.976 1.00 0.00 H new ATOM 0 HG3 GLU A 927 -10.825 -3.405 -6.946 1.00 0.00 H new ATOM 253 N ASN A 928 -8.147 -2.560 -2.579 1.00 0.00 N ATOM 254 CA ASN A 928 -7.763 -1.602 -1.550 1.00 0.00 C ATOM 255 C ASN A 928 -6.676 -0.695 -2.126 1.00 0.00 C ATOM 256 O ASN A 928 -6.517 0.456 -1.726 1.00 0.00 O ATOM 257 CB ASN A 928 -7.285 -2.326 -0.297 1.00 0.00 C ATOM 258 CG ASN A 928 -8.232 -3.441 0.098 1.00 0.00 C ATOM 259 OD1 ASN A 928 -7.812 -4.456 0.624 1.00 0.00 O ATOM 260 ND2 ASN A 928 -9.523 -3.263 -0.160 1.00 0.00 N ATOM 0 H ASN A 928 -7.847 -3.520 -2.406 1.00 0.00 H new ATOM 0 HA ASN A 928 -8.620 -0.995 -1.257 1.00 0.00 H new ATOM 0 HB2 ASN A 928 -6.290 -2.737 -0.471 1.00 0.00 H new ATOM 0 HB3 ASN A 928 -7.197 -1.614 0.524 1.00 0.00 H new ATOM 0 HD21 ASN A 928 -10.197 -3.989 0.084 1.00 0.00 H new ATOM 0 HD22 ASN A 928 -9.841 -2.400 -0.602 1.00 0.00 H new ATOM 267 N VAL A 929 -5.953 -1.255 -3.090 1.00 0.00 N ATOM 268 CA VAL A 929 -4.931 -0.557 -3.873 1.00 0.00 C ATOM 269 C VAL A 929 -5.584 0.369 -4.896 1.00 0.00 C ATOM 270 O VAL A 929 -5.038 1.438 -5.177 1.00 0.00 O ATOM 271 CB VAL A 929 -3.991 -1.554 -4.595 1.00 0.00 C ATOM 272 CG1 VAL A 929 -3.087 -0.844 -5.589 1.00 0.00 C ATOM 273 CG2 VAL A 929 -3.160 -2.328 -3.586 1.00 0.00 C ATOM 0 H VAL A 929 -6.062 -2.233 -3.358 1.00 0.00 H new ATOM 0 HA VAL A 929 -4.333 0.035 -3.180 1.00 0.00 H new ATOM 0 HB VAL A 929 -4.614 -2.255 -5.150 1.00 0.00 H new ATOM 0 HG11 VAL A 929 -2.440 -1.573 -6.078 1.00 0.00 H new ATOM 0 HG12 VAL A 929 -3.696 -0.339 -6.339 1.00 0.00 H new ATOM 0 HG13 VAL A 929 -2.475 -0.110 -5.065 1.00 0.00 H new ATOM 0 HG21 VAL A 929 -2.505 -3.024 -4.111 1.00 0.00 H new ATOM 0 HG22 VAL A 929 -2.557 -1.633 -3.002 1.00 0.00 H new ATOM 0 HG23 VAL A 929 -3.821 -2.883 -2.920 1.00 0.00 H new ATOM 283 N THR A 930 -6.738 0.026 -5.421 1.00 0.00 N ATOM 284 CA THR A 930 -7.469 0.980 -6.233 1.00 0.00 C ATOM 285 C THR A 930 -7.782 2.216 -5.388 1.00 0.00 C ATOM 286 O THR A 930 -7.621 3.350 -5.829 1.00 0.00 O ATOM 287 CB THR A 930 -8.776 0.371 -6.778 1.00 0.00 C ATOM 288 OG1 THR A 930 -8.509 -0.930 -7.315 1.00 0.00 O ATOM 289 CG2 THR A 930 -9.377 1.253 -7.864 1.00 0.00 C ATOM 0 H THR A 930 -7.185 -0.884 -5.307 1.00 0.00 H new ATOM 0 HA THR A 930 -6.851 1.256 -7.088 1.00 0.00 H new ATOM 0 HB THR A 930 -9.490 0.297 -5.958 1.00 0.00 H new ATOM 0 HG1 THR A 930 -9.340 -1.318 -7.660 1.00 0.00 H new ATOM 0 HG21 THR A 930 -10.298 0.801 -8.232 1.00 0.00 H new ATOM 0 HG22 THR A 930 -9.595 2.239 -7.453 1.00 0.00 H new ATOM 0 HG23 THR A 930 -8.668 1.352 -8.686 1.00 0.00 H new ATOM 297 N GLY A 931 -8.197 1.967 -4.155 1.00 0.00 N ATOM 298 CA GLY A 931 -8.494 3.047 -3.234 1.00 0.00 C ATOM 299 C GLY A 931 -7.256 3.815 -2.774 1.00 0.00 C ATOM 300 O GLY A 931 -7.213 5.040 -2.881 1.00 0.00 O ATOM 0 H GLY A 931 -8.334 1.031 -3.773 1.00 0.00 H new ATOM 0 HA2 GLY A 931 -9.185 3.741 -3.712 1.00 0.00 H new ATOM 0 HA3 GLY A 931 -9.004 2.639 -2.361 1.00 0.00 H new ATOM 304 N LEU A 932 -6.247 3.099 -2.271 1.00 0.00 N ATOM 305 CA LEU A 932 -5.044 3.743 -1.721 1.00 0.00 C ATOM 306 C LEU A 932 -4.228 4.487 -2.786 1.00 0.00 C ATOM 307 O LEU A 932 -3.872 5.651 -2.600 1.00 0.00 O ATOM 308 CB LEU A 932 -4.164 2.716 -0.969 1.00 0.00 C ATOM 309 CG LEU A 932 -3.296 1.767 -1.795 1.00 0.00 C ATOM 310 CD1 LEU A 932 -1.892 2.331 -1.967 1.00 0.00 C ATOM 311 CD2 LEU A 932 -3.234 0.407 -1.123 1.00 0.00 C ATOM 0 H LEU A 932 -6.235 2.080 -2.232 1.00 0.00 H new ATOM 0 HA LEU A 932 -5.389 4.495 -1.011 1.00 0.00 H new ATOM 0 HB2 LEU A 932 -3.507 3.269 -0.298 1.00 0.00 H new ATOM 0 HB3 LEU A 932 -4.820 2.109 -0.345 1.00 0.00 H new ATOM 0 HG LEU A 932 -3.744 1.659 -2.783 1.00 0.00 H new ATOM 0 HD11 LEU A 932 -1.292 1.639 -2.558 1.00 0.00 H new ATOM 0 HD12 LEU A 932 -1.946 3.292 -2.478 1.00 0.00 H new ATOM 0 HD13 LEU A 932 -1.432 2.466 -0.988 1.00 0.00 H new ATOM 0 HD21 LEU A 932 -2.614 -0.264 -1.717 1.00 0.00 H new ATOM 0 HD22 LEU A 932 -2.804 0.513 -0.127 1.00 0.00 H new ATOM 0 HD23 LEU A 932 -4.240 -0.005 -1.042 1.00 0.00 H new ATOM 323 N VAL A 933 -3.947 3.814 -3.906 1.00 0.00 N ATOM 324 CA VAL A 933 -3.066 4.362 -4.939 1.00 0.00 C ATOM 325 C VAL A 933 -3.691 5.573 -5.607 1.00 0.00 C ATOM 326 O VAL A 933 -3.008 6.565 -5.890 1.00 0.00 O ATOM 327 CB VAL A 933 -2.728 3.309 -6.019 1.00 0.00 C ATOM 328 CG1 VAL A 933 -2.008 3.944 -7.201 1.00 0.00 C ATOM 329 CG2 VAL A 933 -1.876 2.200 -5.430 1.00 0.00 C ATOM 0 H VAL A 933 -4.318 2.888 -4.119 1.00 0.00 H new ATOM 0 HA VAL A 933 -2.145 4.660 -4.437 1.00 0.00 H new ATOM 0 HB VAL A 933 -3.667 2.886 -6.377 1.00 0.00 H new ATOM 0 HG11 VAL A 933 -1.783 3.179 -7.944 1.00 0.00 H new ATOM 0 HG12 VAL A 933 -2.645 4.708 -7.648 1.00 0.00 H new ATOM 0 HG13 VAL A 933 -1.079 4.401 -6.859 1.00 0.00 H new ATOM 0 HG21 VAL A 933 -1.647 1.467 -6.204 1.00 0.00 H new ATOM 0 HG22 VAL A 933 -0.948 2.621 -5.043 1.00 0.00 H new ATOM 0 HG23 VAL A 933 -2.420 1.714 -4.620 1.00 0.00 H new ATOM 339 N LYS A 934 -4.986 5.487 -5.863 1.00 0.00 N ATOM 340 CA LYS A 934 -5.696 6.581 -6.499 1.00 0.00 C ATOM 341 C LYS A 934 -5.564 7.847 -5.667 1.00 0.00 C ATOM 342 O LYS A 934 -5.213 8.904 -6.190 1.00 0.00 O ATOM 343 CB LYS A 934 -7.166 6.218 -6.706 1.00 0.00 C ATOM 344 CG LYS A 934 -7.524 5.821 -8.132 1.00 0.00 C ATOM 345 CD LYS A 934 -6.786 4.571 -8.586 1.00 0.00 C ATOM 346 CE LYS A 934 -5.443 4.896 -9.224 1.00 0.00 C ATOM 347 NZ LYS A 934 -4.823 3.697 -9.848 1.00 0.00 N ATOM 0 H LYS A 934 -5.563 4.676 -5.641 1.00 0.00 H new ATOM 0 HA LYS A 934 -5.252 6.764 -7.477 1.00 0.00 H new ATOM 0 HB2 LYS A 934 -7.421 5.395 -6.038 1.00 0.00 H new ATOM 0 HB3 LYS A 934 -7.782 7.069 -6.414 1.00 0.00 H new ATOM 0 HG2 LYS A 934 -8.598 5.651 -8.200 1.00 0.00 H new ATOM 0 HG3 LYS A 934 -7.288 6.644 -8.806 1.00 0.00 H new ATOM 0 HD2 LYS A 934 -6.630 3.912 -7.731 1.00 0.00 H new ATOM 0 HD3 LYS A 934 -7.403 4.026 -9.300 1.00 0.00 H new ATOM 0 HE2 LYS A 934 -5.577 5.670 -9.979 1.00 0.00 H new ATOM 0 HE3 LYS A 934 -4.770 5.301 -8.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 934 -3.910 3.959 -10.272 1.00 0.00 H new ATOM 0 HZ2 LYS A 934 -4.671 2.967 -9.123 1.00 0.00 H new ATOM 0 HZ3 LYS A 934 -5.453 3.325 -10.587 1.00 0.00 H new ATOM 361 N ALA A 935 -5.788 7.713 -4.364 1.00 0.00 N ATOM 362 CA ALA A 935 -5.699 8.844 -3.443 1.00 0.00 C ATOM 363 C ALA A 935 -4.322 9.503 -3.509 1.00 0.00 C ATOM 364 O ALA A 935 -4.218 10.725 -3.539 1.00 0.00 O ATOM 365 CB ALA A 935 -6.005 8.388 -2.023 1.00 0.00 C ATOM 0 H ALA A 935 -6.034 6.829 -3.919 1.00 0.00 H new ATOM 0 HA ALA A 935 -6.438 9.587 -3.743 1.00 0.00 H new ATOM 0 HB1 ALA A 935 -5.936 9.239 -1.345 1.00 0.00 H new ATOM 0 HB2 ALA A 935 -7.012 7.973 -1.983 1.00 0.00 H new ATOM 0 HB3 ALA A 935 -5.286 7.625 -1.723 1.00 0.00 H new ATOM 371 N VAL A 936 -3.277 8.674 -3.549 1.00 0.00 N ATOM 372 CA VAL A 936 -1.888 9.143 -3.663 1.00 0.00 C ATOM 373 C VAL A 936 -1.747 10.260 -4.695 1.00 0.00 C ATOM 374 O VAL A 936 -1.486 11.405 -4.347 1.00 0.00 O ATOM 375 CB VAL A 936 -0.957 7.982 -4.070 1.00 0.00 C ATOM 376 CG1 VAL A 936 0.455 8.479 -4.343 1.00 0.00 C ATOM 377 CG2 VAL A 936 -0.961 6.897 -3.004 1.00 0.00 C ATOM 0 H VAL A 936 -3.366 7.659 -3.504 1.00 0.00 H new ATOM 0 HA VAL A 936 -1.605 9.529 -2.684 1.00 0.00 H new ATOM 0 HB VAL A 936 -1.337 7.551 -4.996 1.00 0.00 H new ATOM 0 HG11 VAL A 936 1.088 7.638 -4.627 1.00 0.00 H new ATOM 0 HG12 VAL A 936 0.434 9.208 -5.153 1.00 0.00 H new ATOM 0 HG13 VAL A 936 0.856 8.947 -3.444 1.00 0.00 H new ATOM 0 HG21 VAL A 936 -0.299 6.086 -3.308 1.00 0.00 H new ATOM 0 HG22 VAL A 936 -0.614 7.314 -2.059 1.00 0.00 H new ATOM 0 HG23 VAL A 936 -1.973 6.512 -2.880 1.00 0.00 H new ATOM 387 N ILE A 937 -1.934 9.914 -5.951 1.00 0.00 N ATOM 388 CA ILE A 937 -1.768 10.859 -7.052 1.00 0.00 C ATOM 389 C ILE A 937 -2.877 11.910 -7.103 1.00 0.00 C ATOM 390 O ILE A 937 -2.587 13.120 -7.153 1.00 0.00 O ATOM 391 CB ILE A 937 -1.687 10.121 -8.409 1.00 0.00 C ATOM 392 CG1 ILE A 937 -2.831 9.108 -8.549 1.00 0.00 C ATOM 393 CG2 ILE A 937 -0.338 9.433 -8.547 1.00 0.00 C ATOM 394 CD1 ILE A 937 -2.827 8.359 -9.865 1.00 0.00 C ATOM 0 H ILE A 937 -2.204 8.975 -6.244 1.00 0.00 H new ATOM 0 HA ILE A 937 -0.829 11.380 -6.865 1.00 0.00 H new ATOM 0 HB ILE A 937 -1.790 10.853 -9.210 1.00 0.00 H new ATOM 0 HG12 ILE A 937 -2.769 8.389 -7.732 1.00 0.00 H new ATOM 0 HG13 ILE A 937 -3.782 9.631 -8.442 1.00 0.00 H new ATOM 0 HG21 ILE A 937 -0.290 8.916 -9.505 1.00 0.00 H new ATOM 0 HG22 ILE A 937 0.457 10.177 -8.496 1.00 0.00 H new ATOM 0 HG23 ILE A 937 -0.213 8.712 -7.739 1.00 0.00 H new ATOM 0 HD11 ILE A 937 -3.665 7.662 -9.889 1.00 0.00 H new ATOM 0 HD12 ILE A 937 -2.921 9.068 -10.687 1.00 0.00 H new ATOM 0 HD13 ILE A 937 -1.893 7.807 -9.967 1.00 0.00 H new ATOM 406 N GLU A 938 -4.126 11.486 -7.045 1.00 0.00 N ATOM 407 CA GLU A 938 -5.217 12.409 -7.326 1.00 0.00 C ATOM 408 C GLU A 938 -5.411 13.398 -6.187 1.00 0.00 C ATOM 409 O GLU A 938 -5.735 14.551 -6.416 1.00 0.00 O ATOM 410 CB GLU A 938 -6.529 11.697 -7.672 1.00 0.00 C ATOM 411 CG GLU A 938 -7.223 11.004 -6.516 1.00 0.00 C ATOM 412 CD GLU A 938 -8.519 10.353 -6.953 1.00 0.00 C ATOM 413 OE1 GLU A 938 -8.464 9.354 -7.702 1.00 0.00 O ATOM 414 OE2 GLU A 938 -9.600 10.857 -6.581 1.00 0.00 O ATOM 0 H GLU A 938 -4.409 10.534 -6.812 1.00 0.00 H new ATOM 0 HA GLU A 938 -4.925 12.966 -8.216 1.00 0.00 H new ATOM 0 HB2 GLU A 938 -7.216 12.427 -8.100 1.00 0.00 H new ATOM 0 HB3 GLU A 938 -6.327 10.958 -8.447 1.00 0.00 H new ATOM 0 HG2 GLU A 938 -6.560 10.249 -6.093 1.00 0.00 H new ATOM 0 HG3 GLU A 938 -7.427 11.728 -5.727 1.00 0.00 H new ATOM 421 N MET A 939 -5.202 12.984 -4.955 1.00 0.00 N ATOM 422 CA MET A 939 -5.334 13.939 -3.877 1.00 0.00 C ATOM 423 C MET A 939 -4.130 14.869 -3.877 1.00 0.00 C ATOM 424 O MET A 939 -4.279 16.083 -3.747 1.00 0.00 O ATOM 425 CB MET A 939 -5.518 13.254 -2.520 1.00 0.00 C ATOM 426 CG MET A 939 -6.803 12.447 -2.435 1.00 0.00 C ATOM 427 SD MET A 939 -7.120 11.792 -0.788 1.00 0.00 S ATOM 428 CE MET A 939 -8.606 10.840 -1.093 1.00 0.00 C ATOM 0 H MET A 939 -4.951 12.034 -4.682 1.00 0.00 H new ATOM 0 HA MET A 939 -6.237 14.527 -4.044 1.00 0.00 H new ATOM 0 HB2 MET A 939 -4.669 12.597 -2.332 1.00 0.00 H new ATOM 0 HB3 MET A 939 -5.516 14.009 -1.734 1.00 0.00 H new ATOM 0 HG2 MET A 939 -7.640 13.076 -2.736 1.00 0.00 H new ATOM 0 HG3 MET A 939 -6.754 11.621 -3.144 1.00 0.00 H new ATOM 0 HE1 MET A 939 -8.506 9.854 -0.640 1.00 0.00 H new ATOM 0 HE2 MET A 939 -9.463 11.354 -0.658 1.00 0.00 H new ATOM 0 HE3 MET A 939 -8.755 10.732 -2.167 1.00 0.00 H new ATOM 438 N SER A 940 -2.969 14.280 -4.202 1.00 0.00 N ATOM 439 CA SER A 940 -1.657 14.910 -4.035 1.00 0.00 C ATOM 440 C SER A 940 -1.593 16.311 -4.610 1.00 0.00 C ATOM 441 O SER A 940 -1.234 17.268 -3.925 1.00 0.00 O ATOM 442 CB SER A 940 -0.609 14.080 -4.775 1.00 0.00 C ATOM 443 OG SER A 940 0.678 14.667 -4.671 1.00 0.00 O ATOM 0 H SER A 940 -2.918 13.339 -4.593 1.00 0.00 H new ATOM 0 HA SER A 940 -1.473 14.964 -2.962 1.00 0.00 H new ATOM 0 HB2 SER A 940 -0.585 13.070 -4.365 1.00 0.00 H new ATOM 0 HB3 SER A 940 -0.887 13.991 -5.825 1.00 0.00 H new ATOM 0 HG SER A 940 0.880 15.160 -5.494 1.00 0.00 H new ATOM 449 N SER A 941 -1.943 16.416 -5.877 1.00 0.00 N ATOM 450 CA SER A 941 -1.812 17.659 -6.616 1.00 0.00 C ATOM 451 C SER A 941 -3.142 18.056 -7.235 1.00 0.00 C ATOM 452 O SER A 941 -3.348 19.215 -7.597 1.00 0.00 O ATOM 453 CB SER A 941 -0.749 17.484 -7.703 1.00 0.00 C ATOM 454 OG SER A 941 0.476 17.042 -7.137 1.00 0.00 O ATOM 0 H SER A 941 -2.326 15.644 -6.423 1.00 0.00 H new ATOM 0 HA SER A 941 -1.509 18.453 -5.934 1.00 0.00 H new ATOM 0 HB2 SER A 941 -1.094 16.763 -8.444 1.00 0.00 H new ATOM 0 HB3 SER A 941 -0.595 18.429 -8.224 1.00 0.00 H new ATOM 0 HG SER A 941 1.144 16.934 -7.846 1.00 0.00 H new ATOM 460 N LYS A 942 -4.048 17.104 -7.342 1.00 0.00 N ATOM 461 CA LYS A 942 -5.341 17.401 -7.929 1.00 0.00 C ATOM 462 C LYS A 942 -6.284 18.005 -6.882 1.00 0.00 C ATOM 463 O LYS A 942 -6.703 19.156 -7.016 1.00 0.00 O ATOM 464 CB LYS A 942 -5.935 16.171 -8.618 1.00 0.00 C ATOM 465 CG LYS A 942 -7.402 16.289 -8.988 1.00 0.00 C ATOM 466 CD LYS A 942 -8.156 15.042 -8.561 1.00 0.00 C ATOM 467 CE LYS A 942 -9.466 14.882 -9.314 1.00 0.00 C ATOM 468 NZ LYS A 942 -9.235 14.701 -10.772 1.00 0.00 N ATOM 0 H LYS A 942 -3.919 16.139 -7.038 1.00 0.00 H new ATOM 0 HA LYS A 942 -5.204 18.152 -8.707 1.00 0.00 H new ATOM 0 HB2 LYS A 942 -5.363 15.968 -9.523 1.00 0.00 H new ATOM 0 HB3 LYS A 942 -5.809 15.310 -7.962 1.00 0.00 H new ATOM 0 HG2 LYS A 942 -7.836 17.166 -8.508 1.00 0.00 H new ATOM 0 HG3 LYS A 942 -7.502 16.432 -10.064 1.00 0.00 H new ATOM 0 HD2 LYS A 942 -7.531 14.165 -8.730 1.00 0.00 H new ATOM 0 HD3 LYS A 942 -8.357 15.089 -7.491 1.00 0.00 H new ATOM 0 HE2 LYS A 942 -10.011 14.024 -8.921 1.00 0.00 H new ATOM 0 HE3 LYS A 942 -10.092 15.759 -9.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 942 -10.039 14.190 -11.190 1.00 0.00 H new ATOM 0 HZ2 LYS A 942 -9.142 15.632 -11.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 942 -8.363 14.154 -10.920 1.00 0.00 H new ATOM 482 N ILE A 943 -6.612 17.234 -5.839 1.00 0.00 N ATOM 483 CA ILE A 943 -7.628 17.670 -4.880 1.00 0.00 C ATOM 484 C ILE A 943 -7.118 18.765 -3.934 1.00 0.00 C ATOM 485 O ILE A 943 -7.915 19.401 -3.252 1.00 0.00 O ATOM 486 CB ILE A 943 -8.208 16.486 -4.063 1.00 0.00 C ATOM 487 CG1 ILE A 943 -9.659 16.770 -3.670 1.00 0.00 C ATOM 488 CG2 ILE A 943 -7.381 16.218 -2.819 1.00 0.00 C ATOM 489 CD1 ILE A 943 -10.585 16.942 -4.854 1.00 0.00 C ATOM 0 H ILE A 943 -6.197 16.323 -5.641 1.00 0.00 H new ATOM 0 HA ILE A 943 -8.431 18.098 -5.480 1.00 0.00 H new ATOM 0 HB ILE A 943 -8.174 15.598 -4.695 1.00 0.00 H new ATOM 0 HG12 ILE A 943 -10.025 15.952 -3.049 1.00 0.00 H new ATOM 0 HG13 ILE A 943 -9.691 17.673 -3.060 1.00 0.00 H new ATOM 0 HG21 ILE A 943 -7.813 15.383 -2.268 1.00 0.00 H new ATOM 0 HG22 ILE A 943 -6.359 15.973 -3.107 1.00 0.00 H new ATOM 0 HG23 ILE A 943 -7.376 17.106 -2.187 1.00 0.00 H new ATOM 0 HD11 ILE A 943 -11.596 17.140 -4.499 1.00 0.00 H new ATOM 0 HD12 ILE A 943 -10.244 17.778 -5.464 1.00 0.00 H new ATOM 0 HD13 ILE A 943 -10.583 16.031 -5.453 1.00 0.00 H new ATOM 501 N GLN A 944 -5.800 18.968 -3.891 1.00 0.00 N ATOM 502 CA GLN A 944 -5.211 20.080 -3.133 1.00 0.00 C ATOM 503 C GLN A 944 -5.817 21.411 -3.595 1.00 0.00 C ATOM 504 O GLN A 944 -5.532 21.884 -4.699 1.00 0.00 O ATOM 505 CB GLN A 944 -3.685 20.086 -3.313 1.00 0.00 C ATOM 506 CG GLN A 944 -2.986 21.365 -2.851 1.00 0.00 C ATOM 507 CD GLN A 944 -2.950 21.553 -1.340 1.00 0.00 C ATOM 508 OE1 GLN A 944 -1.906 22.215 -0.860 1.00 0.00 O flip ATOM 509 NE2 GLN A 944 -3.838 21.118 -0.610 1.00 0.00 N flip ATOM 0 H GLN A 944 -5.119 18.379 -4.370 1.00 0.00 H new ATOM 0 HA GLN A 944 -5.434 19.950 -2.074 1.00 0.00 H new ATOM 0 HB2 GLN A 944 -3.266 19.242 -2.765 1.00 0.00 H new ATOM 0 HB3 GLN A 944 -3.458 19.926 -4.367 1.00 0.00 H new ATOM 0 HG2 GLN A 944 -1.964 21.362 -3.229 1.00 0.00 H new ATOM 0 HG3 GLN A 944 -3.489 22.222 -3.299 1.00 0.00 H new ATOM 0 HE21 GLN A 944 -4.627 20.613 -1.013 1.00 0.00 H new ATOM 0 HE22 GLN A 944 -3.785 21.262 0.398 1.00 0.00 H new ATOM 518 N PRO A 945 -6.682 22.014 -2.766 1.00 0.00 N ATOM 519 CA PRO A 945 -7.420 23.213 -3.110 1.00 0.00 C ATOM 520 C PRO A 945 -6.792 24.480 -2.538 1.00 0.00 C ATOM 521 O PRO A 945 -5.601 24.509 -2.219 1.00 0.00 O ATOM 522 CB PRO A 945 -8.769 22.940 -2.442 1.00 0.00 C ATOM 523 CG PRO A 945 -8.464 22.057 -1.262 1.00 0.00 C ATOM 524 CD PRO A 945 -7.038 21.570 -1.415 1.00 0.00 C ATOM 0 HA PRO A 945 -7.460 23.392 -4.184 1.00 0.00 H new ATOM 0 HB2 PRO A 945 -9.244 23.868 -2.125 1.00 0.00 H new ATOM 0 HB3 PRO A 945 -9.456 22.450 -3.132 1.00 0.00 H new ATOM 0 HG2 PRO A 945 -8.583 22.609 -0.329 1.00 0.00 H new ATOM 0 HG3 PRO A 945 -9.155 21.215 -1.224 1.00 0.00 H new ATOM 0 HD2 PRO A 945 -6.380 22.003 -0.661 1.00 0.00 H new ATOM 0 HD3 PRO A 945 -6.968 20.487 -1.314 1.00 0.00 H new ATOM 532 N ALA A 946 -7.596 25.534 -2.436 1.00 0.00 N ATOM 533 CA ALA A 946 -7.162 26.771 -1.805 1.00 0.00 C ATOM 534 C ALA A 946 -6.997 26.577 -0.295 1.00 0.00 C ATOM 535 O ALA A 946 -5.964 26.945 0.256 1.00 0.00 O ATOM 536 CB ALA A 946 -8.125 27.907 -2.120 1.00 0.00 C ATOM 0 H ALA A 946 -8.554 25.554 -2.784 1.00 0.00 H new ATOM 0 HA ALA A 946 -6.189 27.044 -2.213 1.00 0.00 H new ATOM 0 HB1 ALA A 946 -7.780 28.821 -1.637 1.00 0.00 H new ATOM 0 HB2 ALA A 946 -8.167 28.060 -3.198 1.00 0.00 H new ATOM 0 HB3 ALA A 946 -9.119 27.655 -1.750 1.00 0.00 H new ATOM 542 N PRO A 947 -8.012 26.009 0.411 1.00 0.00 N ATOM 543 CA PRO A 947 -7.833 25.555 1.791 1.00 0.00 C ATOM 544 C PRO A 947 -6.908 24.343 1.829 1.00 0.00 C ATOM 545 O PRO A 947 -7.290 23.247 1.415 1.00 0.00 O ATOM 546 CB PRO A 947 -9.248 25.174 2.253 1.00 0.00 C ATOM 547 CG PRO A 947 -10.168 25.766 1.240 1.00 0.00 C ATOM 548 CD PRO A 947 -9.396 25.790 -0.045 1.00 0.00 C ATOM 0 HA PRO A 947 -7.381 26.313 2.430 1.00 0.00 H new ATOM 0 HB2 PRO A 947 -9.366 24.092 2.306 1.00 0.00 H new ATOM 0 HB3 PRO A 947 -9.455 25.566 3.249 1.00 0.00 H new ATOM 0 HG2 PRO A 947 -11.076 25.171 1.140 1.00 0.00 H new ATOM 0 HG3 PRO A 947 -10.476 26.770 1.530 1.00 0.00 H new ATOM 0 HD2 PRO A 947 -9.497 24.855 -0.596 1.00 0.00 H new ATOM 0 HD3 PRO A 947 -9.735 26.587 -0.706 1.00 0.00 H new ATOM 556 N PRO A 948 -5.676 24.532 2.315 1.00 0.00 N ATOM 557 CA PRO A 948 -4.608 23.539 2.188 1.00 0.00 C ATOM 558 C PRO A 948 -4.805 22.292 3.038 1.00 0.00 C ATOM 559 O PRO A 948 -5.809 22.134 3.729 1.00 0.00 O ATOM 560 CB PRO A 948 -3.353 24.285 2.643 1.00 0.00 C ATOM 561 CG PRO A 948 -3.744 25.720 2.769 1.00 0.00 C ATOM 562 CD PRO A 948 -5.219 25.728 3.032 1.00 0.00 C ATOM 0 HA PRO A 948 -4.566 23.163 1.166 1.00 0.00 H new ATOM 0 HB2 PRO A 948 -2.992 23.895 3.595 1.00 0.00 H new ATOM 0 HB3 PRO A 948 -2.545 24.164 1.922 1.00 0.00 H new ATOM 0 HG2 PRO A 948 -3.201 26.202 3.582 1.00 0.00 H new ATOM 0 HG3 PRO A 948 -3.508 26.270 1.858 1.00 0.00 H new ATOM 0 HD2 PRO A 948 -5.441 25.672 4.098 1.00 0.00 H new ATOM 0 HD3 PRO A 948 -5.694 26.634 2.654 1.00 0.00 H new ATOM 570 N GLU A 949 -3.789 21.434 2.972 1.00 0.00 N ATOM 571 CA GLU A 949 -3.768 20.115 3.592 1.00 0.00 C ATOM 572 C GLU A 949 -5.048 19.332 3.457 1.00 0.00 C ATOM 573 O GLU A 949 -5.942 19.392 4.301 1.00 0.00 O ATOM 574 CB GLU A 949 -3.334 20.100 5.059 1.00 0.00 C ATOM 575 CG GLU A 949 -4.003 21.131 5.954 1.00 0.00 C ATOM 576 CD GLU A 949 -3.564 21.007 7.397 1.00 0.00 C ATOM 577 OE1 GLU A 949 -2.418 21.382 7.704 1.00 0.00 O ATOM 578 OE2 GLU A 949 -4.354 20.512 8.226 1.00 0.00 O ATOM 0 H GLU A 949 -2.929 21.648 2.467 1.00 0.00 H new ATOM 0 HA GLU A 949 -2.998 19.617 3.003 1.00 0.00 H new ATOM 0 HB2 GLU A 949 -3.531 19.109 5.467 1.00 0.00 H new ATOM 0 HB3 GLU A 949 -2.256 20.254 5.102 1.00 0.00 H new ATOM 0 HG2 GLU A 949 -3.770 22.132 5.590 1.00 0.00 H new ATOM 0 HG3 GLU A 949 -5.085 21.014 5.894 1.00 0.00 H new ATOM 585 N GLU A 950 -5.115 18.583 2.389 1.00 0.00 N ATOM 586 CA GLU A 950 -5.892 17.373 2.408 1.00 0.00 C ATOM 587 C GLU A 950 -4.961 16.243 2.804 1.00 0.00 C ATOM 588 O GLU A 950 -5.287 15.089 2.649 1.00 0.00 O ATOM 589 CB GLU A 950 -6.568 17.071 1.070 1.00 0.00 C ATOM 590 CG GLU A 950 -5.914 17.704 -0.157 1.00 0.00 C ATOM 591 CD GLU A 950 -4.493 17.240 -0.421 1.00 0.00 C ATOM 592 OE1 GLU A 950 -4.246 16.021 -0.487 1.00 0.00 O ATOM 593 OE2 GLU A 950 -3.610 18.103 -0.561 1.00 0.00 O ATOM 0 H GLU A 950 -4.647 18.785 1.505 1.00 0.00 H new ATOM 0 HA GLU A 950 -6.705 17.489 3.124 1.00 0.00 H new ATOM 0 HB2 GLU A 950 -6.591 15.990 0.931 1.00 0.00 H new ATOM 0 HB3 GLU A 950 -7.603 17.408 1.122 1.00 0.00 H new ATOM 0 HG2 GLU A 950 -6.524 17.483 -1.033 1.00 0.00 H new ATOM 0 HG3 GLU A 950 -5.913 18.787 -0.035 1.00 0.00 H new ATOM 600 N TYR A 951 -3.805 16.620 3.363 1.00 0.00 N ATOM 601 CA TYR A 951 -2.733 15.677 3.685 1.00 0.00 C ATOM 602 C TYR A 951 -3.132 14.824 4.883 1.00 0.00 C ATOM 603 O TYR A 951 -3.234 13.612 4.783 1.00 0.00 O ATOM 604 CB TYR A 951 -1.400 16.405 3.985 1.00 0.00 C ATOM 605 CG TYR A 951 -0.984 17.465 2.968 1.00 0.00 C ATOM 606 CD1 TYR A 951 -1.803 17.821 1.907 1.00 0.00 C ATOM 607 CD2 TYR A 951 0.234 18.122 3.081 1.00 0.00 C ATOM 608 CE1 TYR A 951 -1.425 18.780 0.995 1.00 0.00 C ATOM 609 CE2 TYR A 951 0.616 19.085 2.163 1.00 0.00 C ATOM 610 CZ TYR A 951 -0.222 19.410 1.129 1.00 0.00 C ATOM 611 OH TYR A 951 0.153 20.351 0.207 1.00 0.00 O ATOM 0 H TYR A 951 -3.589 17.587 3.604 1.00 0.00 H new ATOM 0 HA TYR A 951 -2.580 15.041 2.813 1.00 0.00 H new ATOM 0 HB2 TYR A 951 -1.477 16.877 4.964 1.00 0.00 H new ATOM 0 HB3 TYR A 951 -0.607 15.660 4.052 1.00 0.00 H new ATOM 0 HD1 TYR A 951 -2.760 17.334 1.794 1.00 0.00 H new ATOM 0 HD2 TYR A 951 0.895 17.877 3.899 1.00 0.00 H new ATOM 0 HE1 TYR A 951 -2.080 19.034 0.174 1.00 0.00 H new ATOM 0 HE2 TYR A 951 1.572 19.579 2.262 1.00 0.00 H new ATOM 0 HH TYR A 951 -0.623 20.897 -0.038 1.00 0.00 H new ATOM 621 N VAL A 952 -3.329 15.474 6.022 1.00 0.00 N ATOM 622 CA VAL A 952 -3.903 14.824 7.197 1.00 0.00 C ATOM 623 C VAL A 952 -5.236 14.151 6.852 1.00 0.00 C ATOM 624 O VAL A 952 -5.457 12.998 7.225 1.00 0.00 O ATOM 625 CB VAL A 952 -4.113 15.818 8.363 1.00 0.00 C ATOM 626 CG1 VAL A 952 -4.692 15.109 9.580 1.00 0.00 C ATOM 627 CG2 VAL A 952 -2.807 16.510 8.720 1.00 0.00 C ATOM 0 H VAL A 952 -3.098 16.458 6.159 1.00 0.00 H new ATOM 0 HA VAL A 952 -3.188 14.067 7.519 1.00 0.00 H new ATOM 0 HB VAL A 952 -4.826 16.576 8.038 1.00 0.00 H new ATOM 0 HG11 VAL A 952 -4.831 15.828 10.388 1.00 0.00 H new ATOM 0 HG12 VAL A 952 -5.653 14.665 9.320 1.00 0.00 H new ATOM 0 HG13 VAL A 952 -4.007 14.326 9.905 1.00 0.00 H new ATOM 0 HG21 VAL A 952 -2.976 17.205 9.542 1.00 0.00 H new ATOM 0 HG22 VAL A 952 -2.071 15.765 9.021 1.00 0.00 H new ATOM 0 HG23 VAL A 952 -2.436 17.057 7.853 1.00 0.00 H new ATOM 637 N PRO A 953 -6.162 14.858 6.159 1.00 0.00 N ATOM 638 CA PRO A 953 -7.390 14.239 5.653 1.00 0.00 C ATOM 639 C PRO A 953 -7.113 12.989 4.813 1.00 0.00 C ATOM 640 O PRO A 953 -7.883 12.029 4.817 1.00 0.00 O ATOM 641 CB PRO A 953 -8.022 15.339 4.808 1.00 0.00 C ATOM 642 CG PRO A 953 -7.562 16.592 5.455 1.00 0.00 C ATOM 643 CD PRO A 953 -6.154 16.314 5.906 1.00 0.00 C ATOM 0 HA PRO A 953 -8.034 13.890 6.460 1.00 0.00 H new ATOM 0 HB2 PRO A 953 -7.696 15.282 3.769 1.00 0.00 H new ATOM 0 HB3 PRO A 953 -9.110 15.266 4.805 1.00 0.00 H new ATOM 0 HG2 PRO A 953 -7.593 17.429 4.757 1.00 0.00 H new ATOM 0 HG3 PRO A 953 -8.200 16.856 6.298 1.00 0.00 H new ATOM 0 HD2 PRO A 953 -5.425 16.586 5.142 1.00 0.00 H new ATOM 0 HD3 PRO A 953 -5.900 16.877 6.804 1.00 0.00 H new ATOM 651 N MET A 954 -6.003 13.026 4.096 1.00 0.00 N ATOM 652 CA MET A 954 -5.548 11.914 3.276 1.00 0.00 C ATOM 653 C MET A 954 -4.938 10.814 4.135 1.00 0.00 C ATOM 654 O MET A 954 -5.028 9.641 3.792 1.00 0.00 O ATOM 655 CB MET A 954 -4.533 12.429 2.262 1.00 0.00 C ATOM 656 CG MET A 954 -3.610 11.377 1.662 1.00 0.00 C ATOM 657 SD MET A 954 -4.478 10.140 0.680 1.00 0.00 S ATOM 658 CE MET A 954 -3.098 9.293 -0.082 1.00 0.00 C ATOM 0 H MET A 954 -5.385 13.837 4.066 1.00 0.00 H new ATOM 0 HA MET A 954 -6.401 11.483 2.752 1.00 0.00 H new ATOM 0 HB2 MET A 954 -5.073 12.918 1.451 1.00 0.00 H new ATOM 0 HB3 MET A 954 -3.921 13.192 2.743 1.00 0.00 H new ATOM 0 HG2 MET A 954 -2.867 11.871 1.036 1.00 0.00 H new ATOM 0 HG3 MET A 954 -3.069 10.878 2.466 1.00 0.00 H new ATOM 0 HE1 MET A 954 -3.400 8.283 -0.360 1.00 0.00 H new ATOM 0 HE2 MET A 954 -2.785 9.836 -0.973 1.00 0.00 H new ATOM 0 HE3 MET A 954 -2.268 9.243 0.623 1.00 0.00 H new ATOM 668 N VAL A 955 -4.323 11.192 5.255 1.00 0.00 N ATOM 669 CA VAL A 955 -3.827 10.209 6.213 1.00 0.00 C ATOM 670 C VAL A 955 -4.964 9.268 6.582 1.00 0.00 C ATOM 671 O VAL A 955 -4.798 8.052 6.641 1.00 0.00 O ATOM 672 CB VAL A 955 -3.287 10.861 7.511 1.00 0.00 C ATOM 673 CG1 VAL A 955 -2.798 9.798 8.486 1.00 0.00 C ATOM 674 CG2 VAL A 955 -2.169 11.845 7.213 1.00 0.00 C ATOM 0 H VAL A 955 -4.158 12.163 5.519 1.00 0.00 H new ATOM 0 HA VAL A 955 -3.002 9.677 5.740 1.00 0.00 H new ATOM 0 HB VAL A 955 -4.111 11.408 7.969 1.00 0.00 H new ATOM 0 HG11 VAL A 955 -2.423 10.278 9.390 1.00 0.00 H new ATOM 0 HG12 VAL A 955 -3.623 9.133 8.743 1.00 0.00 H new ATOM 0 HG13 VAL A 955 -1.998 9.221 8.023 1.00 0.00 H new ATOM 0 HG21 VAL A 955 -1.813 12.284 8.145 1.00 0.00 H new ATOM 0 HG22 VAL A 955 -1.348 11.324 6.720 1.00 0.00 H new ATOM 0 HG23 VAL A 955 -2.543 12.633 6.560 1.00 0.00 H new ATOM 684 N LYS A 956 -6.118 9.860 6.818 1.00 0.00 N ATOM 685 CA LYS A 956 -7.339 9.123 7.080 1.00 0.00 C ATOM 686 C LYS A 956 -7.827 8.354 5.840 1.00 0.00 C ATOM 687 O LYS A 956 -8.356 7.250 5.963 1.00 0.00 O ATOM 688 CB LYS A 956 -8.389 10.112 7.614 1.00 0.00 C ATOM 689 CG LYS A 956 -9.838 9.762 7.323 1.00 0.00 C ATOM 690 CD LYS A 956 -10.306 10.394 6.022 1.00 0.00 C ATOM 691 CE LYS A 956 -11.813 10.277 5.869 1.00 0.00 C ATOM 692 NZ LYS A 956 -12.292 10.861 4.592 1.00 0.00 N ATOM 0 H LYS A 956 -6.236 10.873 6.834 1.00 0.00 H new ATOM 0 HA LYS A 956 -7.153 8.357 7.832 1.00 0.00 H new ATOM 0 HB2 LYS A 956 -8.265 10.195 8.694 1.00 0.00 H new ATOM 0 HB3 LYS A 956 -8.181 11.095 7.192 1.00 0.00 H new ATOM 0 HG2 LYS A 956 -9.949 8.679 7.265 1.00 0.00 H new ATOM 0 HG3 LYS A 956 -10.469 10.103 8.144 1.00 0.00 H new ATOM 0 HD2 LYS A 956 -10.015 11.444 5.999 1.00 0.00 H new ATOM 0 HD3 LYS A 956 -9.813 9.908 5.180 1.00 0.00 H new ATOM 0 HE2 LYS A 956 -12.101 9.227 5.917 1.00 0.00 H new ATOM 0 HE3 LYS A 956 -12.302 10.781 6.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 956 -13.258 11.226 4.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 956 -11.662 11.639 4.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 956 -12.292 10.129 3.854 1.00 0.00 H new ATOM 706 N GLU A 957 -7.614 8.911 4.650 1.00 0.00 N ATOM 707 CA GLU A 957 -8.120 8.298 3.419 1.00 0.00 C ATOM 708 C GLU A 957 -7.263 7.114 2.974 1.00 0.00 C ATOM 709 O GLU A 957 -7.783 6.039 2.663 1.00 0.00 O ATOM 710 CB GLU A 957 -8.173 9.332 2.297 1.00 0.00 C ATOM 711 CG GLU A 957 -9.426 10.185 2.311 1.00 0.00 C ATOM 712 CD GLU A 957 -10.665 9.391 1.962 1.00 0.00 C ATOM 713 OE1 GLU A 957 -10.859 9.074 0.772 1.00 0.00 O ATOM 714 OE2 GLU A 957 -11.458 9.085 2.873 1.00 0.00 O ATOM 0 H GLU A 957 -7.098 9.780 4.510 1.00 0.00 H new ATOM 0 HA GLU A 957 -9.123 7.929 3.633 1.00 0.00 H new ATOM 0 HB2 GLU A 957 -7.301 9.982 2.373 1.00 0.00 H new ATOM 0 HB3 GLU A 957 -8.105 8.818 1.338 1.00 0.00 H new ATOM 0 HG2 GLU A 957 -9.549 10.630 3.298 1.00 0.00 H new ATOM 0 HG3 GLU A 957 -9.312 11.006 1.603 1.00 0.00 H new ATOM 721 N VAL A 958 -5.953 7.304 2.973 1.00 0.00 N ATOM 722 CA VAL A 958 -5.037 6.247 2.574 1.00 0.00 C ATOM 723 C VAL A 958 -4.839 5.284 3.722 1.00 0.00 C ATOM 724 O VAL A 958 -4.673 4.090 3.500 1.00 0.00 O ATOM 725 CB VAL A 958 -3.669 6.788 2.087 1.00 0.00 C ATOM 726 CG1 VAL A 958 -2.898 7.457 3.216 1.00 0.00 C ATOM 727 CG2 VAL A 958 -2.840 5.676 1.458 1.00 0.00 C ATOM 0 H VAL A 958 -5.501 8.178 3.243 1.00 0.00 H new ATOM 0 HA VAL A 958 -5.489 5.731 1.727 1.00 0.00 H new ATOM 0 HB VAL A 958 -3.868 7.544 1.327 1.00 0.00 H new ATOM 0 HG11 VAL A 958 -1.944 7.824 2.837 1.00 0.00 H new ATOM 0 HG12 VAL A 958 -3.478 8.292 3.608 1.00 0.00 H new ATOM 0 HG13 VAL A 958 -2.719 6.734 4.012 1.00 0.00 H new ATOM 0 HG21 VAL A 958 -1.884 6.079 1.124 1.00 0.00 H new ATOM 0 HG22 VAL A 958 -2.665 4.892 2.194 1.00 0.00 H new ATOM 0 HG23 VAL A 958 -3.377 5.260 0.605 1.00 0.00 H new ATOM 737 N GLY A 959 -4.905 5.798 4.944 1.00 0.00 N ATOM 738 CA GLY A 959 -4.825 4.945 6.107 1.00 0.00 C ATOM 739 C GLY A 959 -5.935 3.924 6.104 1.00 0.00 C ATOM 740 O GLY A 959 -5.719 2.759 6.427 1.00 0.00 O ATOM 0 H GLY A 959 -5.013 6.792 5.147 1.00 0.00 H new ATOM 0 HA2 GLY A 959 -3.860 4.439 6.126 1.00 0.00 H new ATOM 0 HA3 GLY A 959 -4.885 5.550 7.012 1.00 0.00 H new ATOM 744 N LEU A 960 -7.120 4.365 5.703 1.00 0.00 N ATOM 745 CA LEU A 960 -8.273 3.488 5.582 1.00 0.00 C ATOM 746 C LEU A 960 -8.075 2.470 4.459 1.00 0.00 C ATOM 747 O LEU A 960 -8.516 1.332 4.567 1.00 0.00 O ATOM 748 CB LEU A 960 -9.539 4.305 5.325 1.00 0.00 C ATOM 749 CG LEU A 960 -10.850 3.521 5.427 1.00 0.00 C ATOM 750 CD1 LEU A 960 -11.123 3.126 6.869 1.00 0.00 C ATOM 751 CD2 LEU A 960 -12.007 4.335 4.866 1.00 0.00 C ATOM 0 H LEU A 960 -7.307 5.336 5.454 1.00 0.00 H new ATOM 0 HA LEU A 960 -8.381 2.947 6.522 1.00 0.00 H new ATOM 0 HB2 LEU A 960 -9.571 5.130 6.037 1.00 0.00 H new ATOM 0 HB3 LEU A 960 -9.473 4.745 4.330 1.00 0.00 H new ATOM 0 HG LEU A 960 -10.753 2.612 4.834 1.00 0.00 H new ATOM 0 HD11 LEU A 960 -12.059 2.570 6.923 1.00 0.00 H new ATOM 0 HD12 LEU A 960 -10.308 2.502 7.236 1.00 0.00 H new ATOM 0 HD13 LEU A 960 -11.198 4.023 7.484 1.00 0.00 H new ATOM 0 HD21 LEU A 960 -12.930 3.760 4.948 1.00 0.00 H new ATOM 0 HD22 LEU A 960 -12.106 5.263 5.430 1.00 0.00 H new ATOM 0 HD23 LEU A 960 -11.815 4.566 3.818 1.00 0.00 H new ATOM 763 N ALA A 961 -7.385 2.861 3.399 1.00 0.00 N ATOM 764 CA ALA A 961 -7.217 1.992 2.249 1.00 0.00 C ATOM 765 C ALA A 961 -6.110 0.974 2.500 1.00 0.00 C ATOM 766 O ALA A 961 -6.340 -0.227 2.453 1.00 0.00 O ATOM 767 CB ALA A 961 -6.910 2.828 1.020 1.00 0.00 C ATOM 0 H ALA A 961 -6.934 3.772 3.313 1.00 0.00 H new ATOM 0 HA ALA A 961 -8.143 1.443 2.081 1.00 0.00 H new ATOM 0 HB1 ALA A 961 -6.784 2.174 0.157 1.00 0.00 H new ATOM 0 HB2 ALA A 961 -7.733 3.519 0.835 1.00 0.00 H new ATOM 0 HB3 ALA A 961 -5.992 3.393 1.184 1.00 0.00 H new ATOM 773 N LEU A 962 -4.912 1.483 2.756 1.00 0.00 N ATOM 774 CA LEU A 962 -3.772 0.669 3.177 1.00 0.00 C ATOM 775 C LEU A 962 -4.111 -0.251 4.359 1.00 0.00 C ATOM 776 O LEU A 962 -3.590 -1.361 4.417 1.00 0.00 O ATOM 777 CB LEU A 962 -2.551 1.578 3.467 1.00 0.00 C ATOM 778 CG LEU A 962 -2.620 2.446 4.739 1.00 0.00 C ATOM 779 CD1 LEU A 962 -2.314 1.643 5.996 1.00 0.00 C ATOM 780 CD2 LEU A 962 -1.669 3.624 4.621 1.00 0.00 C ATOM 0 H LEU A 962 -4.699 2.478 2.678 1.00 0.00 H new ATOM 0 HA LEU A 962 -3.512 0.001 2.356 1.00 0.00 H new ATOM 0 HB2 LEU A 962 -1.665 0.947 3.534 1.00 0.00 H new ATOM 0 HB3 LEU A 962 -2.408 2.239 2.612 1.00 0.00 H new ATOM 0 HG LEU A 962 -3.642 2.815 4.830 1.00 0.00 H new ATOM 0 HD11 LEU A 962 -2.374 2.295 6.868 1.00 0.00 H new ATOM 0 HD12 LEU A 962 -3.038 0.835 6.097 1.00 0.00 H new ATOM 0 HD13 LEU A 962 -1.310 1.224 5.925 1.00 0.00 H new ATOM 0 HD21 LEU A 962 -1.726 4.230 5.525 1.00 0.00 H new ATOM 0 HD22 LEU A 962 -0.650 3.258 4.494 1.00 0.00 H new ATOM 0 HD23 LEU A 962 -1.947 4.231 3.759 1.00 0.00 H new ATOM 792 N ARG A 963 -4.955 0.163 5.304 1.00 0.00 N ATOM 793 CA ARG A 963 -5.362 -0.778 6.353 1.00 0.00 C ATOM 794 C ARG A 963 -6.301 -1.837 5.795 1.00 0.00 C ATOM 795 O ARG A 963 -6.195 -3.003 6.172 1.00 0.00 O ATOM 796 CB ARG A 963 -6.014 -0.095 7.551 1.00 0.00 C ATOM 797 CG ARG A 963 -7.450 0.330 7.282 1.00 0.00 C ATOM 798 CD ARG A 963 -7.974 1.311 8.316 1.00 0.00 C ATOM 799 NE ARG A 963 -7.996 0.760 9.670 1.00 0.00 N ATOM 800 CZ ARG A 963 -8.149 1.503 10.767 1.00 0.00 C ATOM 801 NH1 ARG A 963 -8.313 2.817 10.669 1.00 0.00 N ATOM 802 NH2 ARG A 963 -8.145 0.933 11.963 1.00 0.00 N ATOM 0 H ARG A 963 -5.356 1.099 5.369 1.00 0.00 H new ATOM 0 HA ARG A 963 -4.445 -1.248 6.708 1.00 0.00 H new ATOM 0 HB2 ARG A 963 -5.995 -0.773 8.404 1.00 0.00 H new ATOM 0 HB3 ARG A 963 -5.427 0.781 7.827 1.00 0.00 H new ATOM 0 HG2 ARG A 963 -7.511 0.784 6.293 1.00 0.00 H new ATOM 0 HG3 ARG A 963 -8.089 -0.553 7.268 1.00 0.00 H new ATOM 0 HD2 ARG A 963 -7.354 2.207 8.305 1.00 0.00 H new ATOM 0 HD3 ARG A 963 -8.982 1.618 8.039 1.00 0.00 H new ATOM 0 HE ARG A 963 -7.888 -0.248 9.782 1.00 0.00 H new ATOM 0 HH11 ARG A 963 -8.322 3.263 9.752 1.00 0.00 H new ATOM 0 HH12 ARG A 963 -8.430 3.381 11.511 1.00 0.00 H new ATOM 0 HH21 ARG A 963 -8.025 -0.076 12.046 1.00 0.00 H new ATOM 0 HH22 ARG A 963 -8.262 1.504 12.800 1.00 0.00 H new ATOM 816 N THR A 964 -7.206 -1.452 4.896 1.00 0.00 N ATOM 817 CA THR A 964 -8.074 -2.426 4.266 1.00 0.00 C ATOM 818 C THR A 964 -7.214 -3.391 3.466 1.00 0.00 C ATOM 819 O THR A 964 -7.486 -4.589 3.404 1.00 0.00 O ATOM 820 CB THR A 964 -9.138 -1.759 3.361 1.00 0.00 C ATOM 821 OG1 THR A 964 -9.869 -0.782 4.118 1.00 0.00 O ATOM 822 CG2 THR A 964 -10.120 -2.793 2.836 1.00 0.00 C ATOM 0 H THR A 964 -7.351 -0.488 4.596 1.00 0.00 H new ATOM 0 HA THR A 964 -8.621 -2.963 5.041 1.00 0.00 H new ATOM 0 HB THR A 964 -8.626 -1.287 2.522 1.00 0.00 H new ATOM 0 HG1 THR A 964 -9.498 0.109 3.947 1.00 0.00 H new ATOM 0 HG21 THR A 964 -10.859 -2.304 2.202 1.00 0.00 H new ATOM 0 HG22 THR A 964 -9.583 -3.543 2.255 1.00 0.00 H new ATOM 0 HG23 THR A 964 -10.623 -3.276 3.674 1.00 0.00 H new ATOM 830 N LEU A 965 -6.138 -2.848 2.907 1.00 0.00 N ATOM 831 CA LEU A 965 -5.156 -3.630 2.177 1.00 0.00 C ATOM 832 C LEU A 965 -4.413 -4.577 3.106 1.00 0.00 C ATOM 833 O LEU A 965 -4.213 -5.750 2.808 1.00 0.00 O ATOM 834 CB LEU A 965 -4.142 -2.705 1.507 1.00 0.00 C ATOM 835 CG LEU A 965 -2.904 -3.427 0.959 1.00 0.00 C ATOM 836 CD1 LEU A 965 -3.268 -4.289 -0.236 1.00 0.00 C ATOM 837 CD2 LEU A 965 -1.825 -2.435 0.585 1.00 0.00 C ATOM 0 H LEU A 965 -5.925 -1.851 2.949 1.00 0.00 H new ATOM 0 HA LEU A 965 -5.687 -4.212 1.424 1.00 0.00 H new ATOM 0 HB2 LEU A 965 -4.633 -2.176 0.690 1.00 0.00 H new ATOM 0 HB3 LEU A 965 -3.822 -1.952 2.227 1.00 0.00 H new ATOM 0 HG LEU A 965 -2.517 -4.075 1.745 1.00 0.00 H new ATOM 0 HD11 LEU A 965 -2.375 -4.791 -0.608 1.00 0.00 H new ATOM 0 HD12 LEU A 965 -4.005 -5.034 0.064 1.00 0.00 H new ATOM 0 HD13 LEU A 965 -3.686 -3.662 -1.023 1.00 0.00 H new ATOM 0 HD21 LEU A 965 -0.957 -2.970 0.199 1.00 0.00 H new ATOM 0 HD22 LEU A 965 -2.203 -1.757 -0.180 1.00 0.00 H new ATOM 0 HD23 LEU A 965 -1.536 -1.862 1.466 1.00 0.00 H new ATOM 849 N LEU A 966 -4.002 -4.046 4.248 1.00 0.00 N ATOM 850 CA LEU A 966 -3.215 -4.810 5.194 1.00 0.00 C ATOM 851 C LEU A 966 -4.086 -5.918 5.752 1.00 0.00 C ATOM 852 O LEU A 966 -3.620 -7.017 6.002 1.00 0.00 O ATOM 853 CB LEU A 966 -2.694 -3.889 6.311 1.00 0.00 C ATOM 854 CG LEU A 966 -1.742 -4.528 7.333 1.00 0.00 C ATOM 855 CD1 LEU A 966 -0.823 -3.470 7.923 1.00 0.00 C ATOM 856 CD2 LEU A 966 -2.520 -5.210 8.451 1.00 0.00 C ATOM 0 H LEU A 966 -4.202 -3.089 4.539 1.00 0.00 H new ATOM 0 HA LEU A 966 -2.347 -5.250 4.703 1.00 0.00 H new ATOM 0 HB2 LEU A 966 -2.182 -3.046 5.848 1.00 0.00 H new ATOM 0 HB3 LEU A 966 -3.552 -3.485 6.849 1.00 0.00 H new ATOM 0 HG LEU A 966 -1.146 -5.280 6.816 1.00 0.00 H new ATOM 0 HD11 LEU A 966 -0.152 -3.933 8.646 1.00 0.00 H new ATOM 0 HD12 LEU A 966 -0.237 -3.012 7.126 1.00 0.00 H new ATOM 0 HD13 LEU A 966 -1.420 -2.705 8.420 1.00 0.00 H new ATOM 0 HD21 LEU A 966 -1.823 -5.654 9.161 1.00 0.00 H new ATOM 0 HD22 LEU A 966 -3.140 -4.475 8.963 1.00 0.00 H new ATOM 0 HD23 LEU A 966 -3.155 -5.990 8.030 1.00 0.00 H new ATOM 868 N ALA A 967 -5.368 -5.595 5.934 1.00 0.00 N ATOM 869 CA ALA A 967 -6.359 -6.542 6.428 1.00 0.00 C ATOM 870 C ALA A 967 -6.727 -7.586 5.382 1.00 0.00 C ATOM 871 O ALA A 967 -6.975 -8.724 5.739 1.00 0.00 O ATOM 872 CB ALA A 967 -7.600 -5.818 6.927 1.00 0.00 C ATOM 0 H ALA A 967 -5.745 -4.667 5.742 1.00 0.00 H new ATOM 0 HA ALA A 967 -5.906 -7.071 7.266 1.00 0.00 H new ATOM 0 HB1 ALA A 967 -8.325 -6.546 7.291 1.00 0.00 H new ATOM 0 HB2 ALA A 967 -7.326 -5.143 7.738 1.00 0.00 H new ATOM 0 HB3 ALA A 967 -8.040 -5.245 6.111 1.00 0.00 H new ATOM 878 N THR A 968 -6.755 -7.234 4.103 1.00 0.00 N ATOM 879 CA THR A 968 -6.979 -8.246 3.071 1.00 0.00 C ATOM 880 C THR A 968 -5.784 -9.193 3.004 1.00 0.00 C ATOM 881 O THR A 968 -5.936 -10.402 2.834 1.00 0.00 O ATOM 882 CB THR A 968 -7.243 -7.620 1.690 1.00 0.00 C ATOM 883 OG1 THR A 968 -6.421 -6.470 1.513 1.00 0.00 O ATOM 884 CG2 THR A 968 -8.704 -7.241 1.540 1.00 0.00 C ATOM 0 H THR A 968 -6.629 -6.282 3.758 1.00 0.00 H new ATOM 0 HA THR A 968 -7.873 -8.805 3.347 1.00 0.00 H new ATOM 0 HB THR A 968 -7.000 -8.358 0.925 1.00 0.00 H new ATOM 0 HG1 THR A 968 -6.965 -5.727 1.178 1.00 0.00 H new ATOM 0 HG21 THR A 968 -8.866 -6.801 0.556 1.00 0.00 H new ATOM 0 HG22 THR A 968 -9.324 -8.132 1.646 1.00 0.00 H new ATOM 0 HG23 THR A 968 -8.973 -6.518 2.310 1.00 0.00 H new ATOM 892 N VAL A 969 -4.596 -8.630 3.180 1.00 0.00 N ATOM 893 CA VAL A 969 -3.374 -9.417 3.304 1.00 0.00 C ATOM 894 C VAL A 969 -3.364 -10.192 4.632 1.00 0.00 C ATOM 895 O VAL A 969 -3.019 -11.370 4.667 1.00 0.00 O ATOM 896 CB VAL A 969 -2.105 -8.537 3.198 1.00 0.00 C ATOM 897 CG1 VAL A 969 -0.846 -9.375 3.355 1.00 0.00 C ATOM 898 CG2 VAL A 969 -2.078 -7.794 1.872 1.00 0.00 C ATOM 0 H VAL A 969 -4.451 -7.622 3.241 1.00 0.00 H new ATOM 0 HA VAL A 969 -3.361 -10.123 2.474 1.00 0.00 H new ATOM 0 HB VAL A 969 -2.135 -7.808 4.008 1.00 0.00 H new ATOM 0 HG11 VAL A 969 0.031 -8.732 3.276 1.00 0.00 H new ATOM 0 HG12 VAL A 969 -0.853 -9.862 4.330 1.00 0.00 H new ATOM 0 HG13 VAL A 969 -0.813 -10.132 2.571 1.00 0.00 H new ATOM 0 HG21 VAL A 969 -1.178 -7.181 1.817 1.00 0.00 H new ATOM 0 HG22 VAL A 969 -2.079 -8.512 1.052 1.00 0.00 H new ATOM 0 HG23 VAL A 969 -2.958 -7.155 1.795 1.00 0.00 H new ATOM 908 N ASP A 970 -3.811 -9.559 5.703 1.00 0.00 N ATOM 909 CA ASP A 970 -3.807 -10.198 7.021 1.00 0.00 C ATOM 910 C ASP A 970 -4.814 -11.332 7.029 1.00 0.00 C ATOM 911 O ASP A 970 -4.576 -12.409 7.576 1.00 0.00 O ATOM 912 CB ASP A 970 -4.142 -9.187 8.123 1.00 0.00 C ATOM 913 CG ASP A 970 -4.257 -9.831 9.489 1.00 0.00 C ATOM 914 OD1 ASP A 970 -3.218 -10.025 10.147 1.00 0.00 O ATOM 915 OD2 ASP A 970 -5.391 -10.144 9.909 1.00 0.00 O ATOM 0 H ASP A 970 -4.181 -8.608 5.693 1.00 0.00 H new ATOM 0 HA ASP A 970 -2.809 -10.590 7.219 1.00 0.00 H new ATOM 0 HB2 ASP A 970 -3.370 -8.418 8.152 1.00 0.00 H new ATOM 0 HB3 ASP A 970 -5.080 -8.688 7.880 1.00 0.00 H new ATOM 920 N GLU A 971 -5.935 -11.072 6.392 1.00 0.00 N ATOM 921 CA GLU A 971 -6.976 -12.056 6.222 1.00 0.00 C ATOM 922 C GLU A 971 -6.429 -13.228 5.413 1.00 0.00 C ATOM 923 O GLU A 971 -6.746 -14.387 5.672 1.00 0.00 O ATOM 924 CB GLU A 971 -8.145 -11.397 5.505 1.00 0.00 C ATOM 925 CG GLU A 971 -9.445 -12.175 5.563 1.00 0.00 C ATOM 926 CD GLU A 971 -10.067 -12.158 6.940 1.00 0.00 C ATOM 927 OE1 GLU A 971 -10.816 -11.206 7.245 1.00 0.00 O ATOM 928 OE2 GLU A 971 -9.810 -13.090 7.724 1.00 0.00 O ATOM 0 H GLU A 971 -6.149 -10.166 5.976 1.00 0.00 H new ATOM 0 HA GLU A 971 -7.316 -12.435 7.186 1.00 0.00 H new ATOM 0 HB2 GLU A 971 -8.309 -10.410 5.937 1.00 0.00 H new ATOM 0 HB3 GLU A 971 -7.874 -11.246 4.460 1.00 0.00 H new ATOM 0 HG2 GLU A 971 -10.149 -11.755 4.844 1.00 0.00 H new ATOM 0 HG3 GLU A 971 -9.261 -13.207 5.263 1.00 0.00 H new ATOM 935 N SER A 972 -5.574 -12.901 4.450 1.00 0.00 N ATOM 936 CA SER A 972 -4.894 -13.896 3.634 1.00 0.00 C ATOM 937 C SER A 972 -3.932 -14.738 4.470 1.00 0.00 C ATOM 938 O SER A 972 -3.578 -15.853 4.082 1.00 0.00 O ATOM 939 CB SER A 972 -4.131 -13.207 2.500 1.00 0.00 C ATOM 940 OG SER A 972 -5.027 -12.598 1.587 1.00 0.00 O ATOM 0 H SER A 972 -5.334 -11.938 4.214 1.00 0.00 H new ATOM 0 HA SER A 972 -5.649 -14.561 3.215 1.00 0.00 H new ATOM 0 HB2 SER A 972 -3.459 -12.455 2.913 1.00 0.00 H new ATOM 0 HB3 SER A 972 -3.512 -13.936 1.977 1.00 0.00 H new ATOM 0 HG SER A 972 -5.287 -11.715 1.924 1.00 0.00 H new ATOM 946 N LEU A 973 -3.550 -14.222 5.641 1.00 0.00 N ATOM 947 CA LEU A 973 -2.540 -14.871 6.468 1.00 0.00 C ATOM 948 C LEU A 973 -3.059 -16.209 6.998 1.00 0.00 C ATOM 949 O LEU A 973 -2.392 -17.230 6.839 1.00 0.00 O ATOM 950 CB LEU A 973 -2.107 -13.959 7.626 1.00 0.00 C ATOM 951 CG LEU A 973 -1.015 -14.521 8.538 1.00 0.00 C ATOM 952 CD1 LEU A 973 0.294 -14.662 7.781 1.00 0.00 C ATOM 953 CD2 LEU A 973 -0.831 -13.631 9.757 1.00 0.00 C ATOM 0 H LEU A 973 -3.926 -13.359 6.034 1.00 0.00 H new ATOM 0 HA LEU A 973 -1.665 -15.063 5.847 1.00 0.00 H new ATOM 0 HB2 LEU A 973 -1.757 -13.015 7.209 1.00 0.00 H new ATOM 0 HB3 LEU A 973 -2.983 -13.734 8.234 1.00 0.00 H new ATOM 0 HG LEU A 973 -1.325 -15.510 8.875 1.00 0.00 H new ATOM 0 HD11 LEU A 973 1.058 -15.063 8.447 1.00 0.00 H new ATOM 0 HD12 LEU A 973 0.156 -15.339 6.938 1.00 0.00 H new ATOM 0 HD13 LEU A 973 0.609 -13.685 7.414 1.00 0.00 H new ATOM 0 HD21 LEU A 973 -0.051 -14.045 10.395 1.00 0.00 H new ATOM 0 HD22 LEU A 973 -0.544 -12.630 9.436 1.00 0.00 H new ATOM 0 HD23 LEU A 973 -1.766 -13.579 10.314 1.00 0.00 H new ATOM 965 N PRO A 974 -4.249 -16.254 7.639 1.00 0.00 N ATOM 966 CA PRO A 974 -4.857 -17.527 8.008 1.00 0.00 C ATOM 967 C PRO A 974 -5.682 -18.145 6.878 1.00 0.00 C ATOM 968 O PRO A 974 -6.289 -19.200 7.062 1.00 0.00 O ATOM 969 CB PRO A 974 -5.729 -17.170 9.203 1.00 0.00 C ATOM 970 CG PRO A 974 -6.146 -15.759 8.953 1.00 0.00 C ATOM 971 CD PRO A 974 -5.057 -15.119 8.123 1.00 0.00 C ATOM 0 HA PRO A 974 -4.107 -18.286 8.231 1.00 0.00 H new ATOM 0 HB2 PRO A 974 -6.592 -17.832 9.276 1.00 0.00 H new ATOM 0 HB3 PRO A 974 -5.177 -17.261 10.138 1.00 0.00 H new ATOM 0 HG2 PRO A 974 -7.101 -15.726 8.429 1.00 0.00 H new ATOM 0 HG3 PRO A 974 -6.280 -15.224 9.893 1.00 0.00 H new ATOM 0 HD2 PRO A 974 -5.474 -14.546 7.295 1.00 0.00 H new ATOM 0 HD3 PRO A 974 -4.458 -14.430 8.718 1.00 0.00 H new ATOM 979 N VAL A 975 -5.707 -17.507 5.713 1.00 0.00 N ATOM 980 CA VAL A 975 -6.221 -18.174 4.521 1.00 0.00 C ATOM 981 C VAL A 975 -5.226 -19.245 4.083 1.00 0.00 C ATOM 982 O VAL A 975 -5.584 -20.408 3.894 1.00 0.00 O ATOM 983 CB VAL A 975 -6.490 -17.192 3.353 1.00 0.00 C ATOM 984 CG1 VAL A 975 -6.671 -17.939 2.038 1.00 0.00 C ATOM 985 CG2 VAL A 975 -7.724 -16.351 3.636 1.00 0.00 C ATOM 0 H VAL A 975 -5.385 -16.550 5.568 1.00 0.00 H new ATOM 0 HA VAL A 975 -7.180 -18.623 4.780 1.00 0.00 H new ATOM 0 HB VAL A 975 -5.623 -16.538 3.265 1.00 0.00 H new ATOM 0 HG11 VAL A 975 -6.858 -17.224 1.236 1.00 0.00 H new ATOM 0 HG12 VAL A 975 -5.768 -18.506 1.815 1.00 0.00 H new ATOM 0 HG13 VAL A 975 -7.517 -18.621 2.121 1.00 0.00 H new ATOM 0 HG21 VAL A 975 -7.897 -15.667 2.805 1.00 0.00 H new ATOM 0 HG22 VAL A 975 -8.589 -17.003 3.756 1.00 0.00 H new ATOM 0 HG23 VAL A 975 -7.572 -15.778 4.551 1.00 0.00 H new ATOM 995 N LEU A 976 -3.966 -18.843 3.962 1.00 0.00 N ATOM 996 CA LEU A 976 -2.890 -19.761 3.604 1.00 0.00 C ATOM 997 C LEU A 976 -1.771 -19.679 4.638 1.00 0.00 C ATOM 998 O LEU A 976 -0.773 -18.983 4.441 1.00 0.00 O ATOM 999 CB LEU A 976 -2.348 -19.445 2.206 1.00 0.00 C ATOM 1000 CG LEU A 976 -3.347 -19.631 1.061 1.00 0.00 C ATOM 1001 CD1 LEU A 976 -2.726 -19.206 -0.260 1.00 0.00 C ATOM 1002 CD2 LEU A 976 -3.811 -21.079 0.988 1.00 0.00 C ATOM 0 H LEU A 976 -3.663 -17.880 4.108 1.00 0.00 H new ATOM 0 HA LEU A 976 -3.289 -20.775 3.592 1.00 0.00 H new ATOM 0 HB2 LEU A 976 -1.996 -18.414 2.195 1.00 0.00 H new ATOM 0 HB3 LEU A 976 -1.482 -20.080 2.018 1.00 0.00 H new ATOM 0 HG LEU A 976 -4.214 -19.000 1.255 1.00 0.00 H new ATOM 0 HD11 LEU A 976 -3.449 -19.345 -1.063 1.00 0.00 H new ATOM 0 HD12 LEU A 976 -2.440 -18.156 -0.206 1.00 0.00 H new ATOM 0 HD13 LEU A 976 -1.843 -19.813 -0.459 1.00 0.00 H new ATOM 0 HD21 LEU A 976 -4.521 -21.193 0.169 1.00 0.00 H new ATOM 0 HD22 LEU A 976 -2.952 -21.728 0.817 1.00 0.00 H new ATOM 0 HD23 LEU A 976 -4.293 -21.354 1.926 1.00 0.00 H new ATOM 1014 N PRO A 977 -1.928 -20.395 5.761 1.00 0.00 N ATOM 1015 CA PRO A 977 -1.013 -20.330 6.899 1.00 0.00 C ATOM 1016 C PRO A 977 0.215 -21.222 6.725 1.00 0.00 C ATOM 1017 O PRO A 977 0.811 -21.663 7.708 1.00 0.00 O ATOM 1018 CB PRO A 977 -1.870 -20.836 8.075 1.00 0.00 C ATOM 1019 CG PRO A 977 -3.214 -21.171 7.506 1.00 0.00 C ATOM 1020 CD PRO A 977 -3.019 -21.330 6.029 1.00 0.00 C ATOM 0 HA PRO A 977 -0.615 -19.324 7.035 1.00 0.00 H new ATOM 0 HB2 PRO A 977 -1.415 -21.712 8.538 1.00 0.00 H new ATOM 0 HB3 PRO A 977 -1.955 -20.074 8.849 1.00 0.00 H new ATOM 0 HG2 PRO A 977 -3.605 -22.088 7.947 1.00 0.00 H new ATOM 0 HG3 PRO A 977 -3.934 -20.382 7.720 1.00 0.00 H new ATOM 0 HD2 PRO A 977 -2.754 -22.353 5.761 1.00 0.00 H new ATOM 0 HD3 PRO A 977 -3.919 -21.077 5.469 1.00 0.00 H new ATOM 1028 N ALA A 978 0.604 -21.472 5.483 1.00 0.00 N ATOM 1029 CA ALA A 978 1.747 -22.328 5.205 1.00 0.00 C ATOM 1030 C ALA A 978 2.692 -21.671 4.209 1.00 0.00 C ATOM 1031 O ALA A 978 2.413 -21.643 3.015 1.00 0.00 O ATOM 1032 CB ALA A 978 1.287 -23.685 4.690 1.00 0.00 C ATOM 0 H ALA A 978 0.146 -21.095 4.654 1.00 0.00 H new ATOM 0 HA ALA A 978 2.290 -22.478 6.138 1.00 0.00 H new ATOM 0 HB1 ALA A 978 2.156 -24.311 4.488 1.00 0.00 H new ATOM 0 HB2 ALA A 978 0.660 -24.166 5.441 1.00 0.00 H new ATOM 0 HB3 ALA A 978 0.715 -23.551 3.772 1.00 0.00 H new ATOM 1038 N SER A 979 3.781 -21.108 4.736 1.00 0.00 N ATOM 1039 CA SER A 979 4.871 -20.513 3.947 1.00 0.00 C ATOM 1040 C SER A 979 4.452 -19.230 3.229 1.00 0.00 C ATOM 1041 O SER A 979 5.159 -18.231 3.294 1.00 0.00 O ATOM 1042 CB SER A 979 5.448 -21.523 2.969 1.00 0.00 C ATOM 1043 OG SER A 979 5.972 -22.641 3.659 1.00 0.00 O ATOM 0 H SER A 979 3.937 -21.050 5.742 1.00 0.00 H new ATOM 0 HA SER A 979 5.650 -20.231 4.655 1.00 0.00 H new ATOM 0 HB2 SER A 979 4.674 -21.848 2.274 1.00 0.00 H new ATOM 0 HB3 SER A 979 6.233 -21.055 2.375 1.00 0.00 H new ATOM 0 HG SER A 979 6.185 -23.351 3.018 1.00 0.00 H new ATOM 1049 N THR A 980 3.306 -19.247 2.550 1.00 0.00 N ATOM 1050 CA THR A 980 2.714 -18.022 2.025 1.00 0.00 C ATOM 1051 C THR A 980 2.527 -17.049 3.182 1.00 0.00 C ATOM 1052 O THR A 980 2.556 -15.833 3.019 1.00 0.00 O ATOM 1053 CB THR A 980 1.351 -18.309 1.358 1.00 0.00 C ATOM 1054 OG1 THR A 980 1.512 -19.291 0.329 1.00 0.00 O ATOM 1055 CG2 THR A 980 0.743 -17.045 0.762 1.00 0.00 C ATOM 0 H THR A 980 2.772 -20.093 2.352 1.00 0.00 H new ATOM 0 HA THR A 980 3.373 -17.596 1.269 1.00 0.00 H new ATOM 0 HB THR A 980 0.675 -18.682 2.127 1.00 0.00 H new ATOM 0 HG1 THR A 980 0.645 -19.471 -0.090 1.00 0.00 H new ATOM 0 HG21 THR A 980 -0.215 -17.285 0.301 1.00 0.00 H new ATOM 0 HG22 THR A 980 0.592 -16.307 1.550 1.00 0.00 H new ATOM 0 HG23 THR A 980 1.417 -16.638 0.008 1.00 0.00 H new ATOM 1063 N HIS A 981 2.404 -17.639 4.361 1.00 0.00 N ATOM 1064 CA HIS A 981 2.280 -16.924 5.615 1.00 0.00 C ATOM 1065 C HIS A 981 3.444 -15.946 5.815 1.00 0.00 C ATOM 1066 O HIS A 981 3.251 -14.858 6.350 1.00 0.00 O ATOM 1067 CB HIS A 981 2.183 -17.968 6.750 1.00 0.00 C ATOM 1068 CG HIS A 981 2.627 -17.508 8.105 1.00 0.00 C ATOM 1069 ND1 HIS A 981 1.787 -17.376 9.187 1.00 0.00 N ATOM 1070 CD2 HIS A 981 3.858 -17.199 8.547 1.00 0.00 C ATOM 1071 CE1 HIS A 981 2.488 -17.003 10.241 1.00 0.00 C ATOM 1072 NE2 HIS A 981 3.751 -16.889 9.879 1.00 0.00 N ATOM 0 H HIS A 981 2.388 -18.653 4.471 1.00 0.00 H new ATOM 0 HA HIS A 981 1.378 -16.311 5.616 1.00 0.00 H new ATOM 0 HB2 HIS A 981 1.148 -18.301 6.823 1.00 0.00 H new ATOM 0 HB3 HIS A 981 2.779 -18.837 6.470 1.00 0.00 H new ATOM 0 HD2 HIS A 981 4.765 -17.195 7.961 1.00 0.00 H new ATOM 0 HE1 HIS A 981 2.095 -16.822 11.230 1.00 0.00 H new ATOM 0 HE2 HIS A 981 4.521 -16.615 10.489 1.00 0.00 H new ATOM 1081 N ARG A 982 4.644 -16.316 5.375 1.00 0.00 N ATOM 1082 CA ARG A 982 5.804 -15.446 5.568 1.00 0.00 C ATOM 1083 C ARG A 982 5.877 -14.381 4.484 1.00 0.00 C ATOM 1084 O ARG A 982 6.521 -13.356 4.681 1.00 0.00 O ATOM 1085 CB ARG A 982 7.132 -16.199 5.673 1.00 0.00 C ATOM 1086 CG ARG A 982 7.552 -16.859 4.366 1.00 0.00 C ATOM 1087 CD ARG A 982 9.061 -16.970 4.237 1.00 0.00 C ATOM 1088 NE ARG A 982 9.658 -17.708 5.344 1.00 0.00 N ATOM 1089 CZ ARG A 982 10.513 -18.713 5.196 1.00 0.00 C ATOM 1090 NH1 ARG A 982 10.828 -19.163 3.985 1.00 0.00 N ATOM 1091 NH2 ARG A 982 11.038 -19.281 6.272 1.00 0.00 N ATOM 0 H ARG A 982 4.839 -17.193 4.892 1.00 0.00 H new ATOM 0 HA ARG A 982 5.651 -14.964 6.534 1.00 0.00 H new ATOM 0 HB2 ARG A 982 7.911 -15.506 5.989 1.00 0.00 H new ATOM 0 HB3 ARG A 982 7.050 -16.961 6.448 1.00 0.00 H new ATOM 0 HG2 ARG A 982 7.110 -17.853 4.305 1.00 0.00 H new ATOM 0 HG3 ARG A 982 7.159 -16.283 3.528 1.00 0.00 H new ATOM 0 HD2 ARG A 982 9.308 -17.465 3.298 1.00 0.00 H new ATOM 0 HD3 ARG A 982 9.494 -15.971 4.194 1.00 0.00 H new ATOM 0 HE ARG A 982 9.402 -17.435 6.293 1.00 0.00 H new ATOM 0 HH11 ARG A 982 10.412 -18.735 3.158 1.00 0.00 H new ATOM 0 HH12 ARG A 982 11.486 -19.936 3.883 1.00 0.00 H new ATOM 0 HH21 ARG A 982 10.784 -18.945 7.201 1.00 0.00 H new ATOM 0 HH22 ARG A 982 11.696 -20.054 6.171 1.00 0.00 H new ATOM 1105 N GLU A 983 5.219 -14.578 3.359 1.00 0.00 N ATOM 1106 CA GLU A 983 5.113 -13.502 2.390 1.00 0.00 C ATOM 1107 C GLU A 983 4.072 -12.512 2.861 1.00 0.00 C ATOM 1108 O GLU A 983 4.208 -11.306 2.682 1.00 0.00 O ATOM 1109 CB GLU A 983 4.767 -14.034 1.000 1.00 0.00 C ATOM 1110 CG GLU A 983 5.983 -14.161 0.106 1.00 0.00 C ATOM 1111 CD GLU A 983 7.106 -14.925 0.775 1.00 0.00 C ATOM 1112 OE1 GLU A 983 6.840 -16.014 1.315 1.00 0.00 O ATOM 1113 OE2 GLU A 983 8.261 -14.455 0.735 1.00 0.00 O ATOM 0 H GLU A 983 4.760 -15.450 3.096 1.00 0.00 H new ATOM 0 HA GLU A 983 6.079 -13.004 2.311 1.00 0.00 H new ATOM 0 HB2 GLU A 983 4.288 -15.008 1.097 1.00 0.00 H new ATOM 0 HB3 GLU A 983 4.043 -13.368 0.530 1.00 0.00 H new ATOM 0 HG2 GLU A 983 5.702 -14.666 -0.818 1.00 0.00 H new ATOM 0 HG3 GLU A 983 6.335 -13.167 -0.169 1.00 0.00 H new ATOM 1120 N ILE A 984 3.061 -13.040 3.520 1.00 0.00 N ATOM 1121 CA ILE A 984 1.978 -12.244 4.058 1.00 0.00 C ATOM 1122 C ILE A 984 2.466 -11.449 5.254 1.00 0.00 C ATOM 1123 O ILE A 984 2.067 -10.301 5.439 1.00 0.00 O ATOM 1124 CB ILE A 984 0.794 -13.133 4.474 1.00 0.00 C ATOM 1125 CG1 ILE A 984 0.231 -13.865 3.259 1.00 0.00 C ATOM 1126 CG2 ILE A 984 -0.281 -12.308 5.152 1.00 0.00 C ATOM 1127 CD1 ILE A 984 -0.621 -15.059 3.611 1.00 0.00 C ATOM 0 H ILE A 984 2.967 -14.040 3.698 1.00 0.00 H new ATOM 0 HA ILE A 984 1.638 -11.561 3.280 1.00 0.00 H new ATOM 0 HB ILE A 984 1.150 -13.875 5.189 1.00 0.00 H new ATOM 0 HG12 ILE A 984 -0.363 -13.167 2.669 1.00 0.00 H new ATOM 0 HG13 ILE A 984 1.057 -14.193 2.628 1.00 0.00 H new ATOM 0 HG21 ILE A 984 -1.110 -12.955 5.439 1.00 0.00 H new ATOM 0 HG22 ILE A 984 0.132 -11.832 6.041 1.00 0.00 H new ATOM 0 HG23 ILE A 984 -0.640 -11.542 4.464 1.00 0.00 H new ATOM 0 HD11 ILE A 984 -0.986 -15.528 2.697 1.00 0.00 H new ATOM 0 HD12 ILE A 984 -0.026 -15.777 4.175 1.00 0.00 H new ATOM 0 HD13 ILE A 984 -1.468 -14.736 4.216 1.00 0.00 H new ATOM 1139 N GLU A 985 3.369 -12.024 6.025 1.00 0.00 N ATOM 1140 CA GLU A 985 3.875 -11.335 7.199 1.00 0.00 C ATOM 1141 C GLU A 985 4.752 -10.165 6.766 1.00 0.00 C ATOM 1142 O GLU A 985 4.633 -9.043 7.270 1.00 0.00 O ATOM 1143 CB GLU A 985 4.665 -12.291 8.113 1.00 0.00 C ATOM 1144 CG GLU A 985 6.046 -12.677 7.622 1.00 0.00 C ATOM 1145 CD GLU A 985 6.762 -13.590 8.594 1.00 0.00 C ATOM 1146 OE1 GLU A 985 6.430 -14.791 8.648 1.00 0.00 O ATOM 1147 OE2 GLU A 985 7.656 -13.105 9.317 1.00 0.00 O ATOM 0 H GLU A 985 3.763 -12.951 5.865 1.00 0.00 H new ATOM 0 HA GLU A 985 3.027 -10.959 7.771 1.00 0.00 H new ATOM 0 HB2 GLU A 985 4.765 -11.827 9.094 1.00 0.00 H new ATOM 0 HB3 GLU A 985 4.080 -13.201 8.249 1.00 0.00 H new ATOM 0 HG2 GLU A 985 5.961 -13.173 6.655 1.00 0.00 H new ATOM 0 HG3 GLU A 985 6.640 -11.776 7.467 1.00 0.00 H new ATOM 1154 N MET A 986 5.618 -10.446 5.790 1.00 0.00 N ATOM 1155 CA MET A 986 6.629 -9.501 5.357 1.00 0.00 C ATOM 1156 C MET A 986 6.027 -8.366 4.546 1.00 0.00 C ATOM 1157 O MET A 986 6.380 -7.203 4.722 1.00 0.00 O ATOM 1158 CB MET A 986 7.705 -10.224 4.542 1.00 0.00 C ATOM 1159 CG MET A 986 8.587 -11.125 5.393 1.00 0.00 C ATOM 1160 SD MET A 986 9.832 -12.012 4.438 1.00 0.00 S ATOM 1161 CE MET A 986 10.621 -12.957 5.741 1.00 0.00 C ATOM 0 H MET A 986 5.632 -11.332 5.285 1.00 0.00 H new ATOM 0 HA MET A 986 7.082 -9.064 6.247 1.00 0.00 H new ATOM 0 HB2 MET A 986 7.226 -10.821 3.766 1.00 0.00 H new ATOM 0 HB3 MET A 986 8.328 -9.486 4.037 1.00 0.00 H new ATOM 0 HG2 MET A 986 9.084 -10.522 6.153 1.00 0.00 H new ATOM 0 HG3 MET A 986 7.960 -11.846 5.917 1.00 0.00 H new ATOM 0 HE1 MET A 986 11.420 -13.565 5.317 1.00 0.00 H new ATOM 0 HE2 MET A 986 11.037 -12.276 6.483 1.00 0.00 H new ATOM 0 HE3 MET A 986 9.885 -13.606 6.216 1.00 0.00 H new ATOM 1171 N ALA A 987 5.113 -8.719 3.651 1.00 0.00 N ATOM 1172 CA ALA A 987 4.548 -7.761 2.714 1.00 0.00 C ATOM 1173 C ALA A 987 3.675 -6.729 3.417 1.00 0.00 C ATOM 1174 O ALA A 987 3.855 -5.527 3.220 1.00 0.00 O ATOM 1175 CB ALA A 987 3.755 -8.483 1.642 1.00 0.00 C ATOM 0 H ALA A 987 4.747 -9.666 3.556 1.00 0.00 H new ATOM 0 HA ALA A 987 5.375 -7.226 2.248 1.00 0.00 H new ATOM 0 HB1 ALA A 987 3.337 -7.755 0.946 1.00 0.00 H new ATOM 0 HB2 ALA A 987 4.411 -9.166 1.102 1.00 0.00 H new ATOM 0 HB3 ALA A 987 2.946 -9.048 2.106 1.00 0.00 H new ATOM 1181 N GLN A 988 2.728 -7.190 4.234 1.00 0.00 N ATOM 1182 CA GLN A 988 1.880 -6.264 4.985 1.00 0.00 C ATOM 1183 C GLN A 988 2.722 -5.404 5.933 1.00 0.00 C ATOM 1184 O GLN A 988 2.332 -4.294 6.290 1.00 0.00 O ATOM 1185 CB GLN A 988 0.761 -7.004 5.736 1.00 0.00 C ATOM 1186 CG GLN A 988 1.210 -7.820 6.941 1.00 0.00 C ATOM 1187 CD GLN A 988 0.093 -8.700 7.488 1.00 0.00 C ATOM 1188 OE1 GLN A 988 -1.149 -8.271 7.297 1.00 0.00 O flip ATOM 1189 NE2 GLN A 988 0.342 -9.753 8.072 1.00 0.00 N flip ATOM 0 H GLN A 988 2.531 -8.178 4.391 1.00 0.00 H new ATOM 0 HA GLN A 988 1.397 -5.598 4.270 1.00 0.00 H new ATOM 0 HB2 GLN A 988 0.025 -6.272 6.068 1.00 0.00 H new ATOM 0 HB3 GLN A 988 0.256 -7.669 5.036 1.00 0.00 H new ATOM 0 HG2 GLN A 988 2.058 -8.445 6.659 1.00 0.00 H new ATOM 0 HG3 GLN A 988 1.557 -7.147 7.725 1.00 0.00 H new ATOM 0 HE21 GLN A 988 1.310 -10.049 8.199 1.00 0.00 H new ATOM 0 HE22 GLN A 988 -0.419 -10.330 8.429 1.00 0.00 H new ATOM 1198 N LYS A 989 3.891 -5.913 6.310 1.00 0.00 N ATOM 1199 CA LYS A 989 4.848 -5.149 7.101 1.00 0.00 C ATOM 1200 C LYS A 989 5.578 -4.118 6.240 1.00 0.00 C ATOM 1201 O LYS A 989 5.885 -3.016 6.694 1.00 0.00 O ATOM 1202 CB LYS A 989 5.843 -6.109 7.756 1.00 0.00 C ATOM 1203 CG LYS A 989 7.300 -5.946 7.343 1.00 0.00 C ATOM 1204 CD LYS A 989 8.141 -7.107 7.856 1.00 0.00 C ATOM 1205 CE LYS A 989 9.557 -7.083 7.301 1.00 0.00 C ATOM 1206 NZ LYS A 989 10.394 -6.035 7.942 1.00 0.00 N ATOM 0 H LYS A 989 4.199 -6.857 6.078 1.00 0.00 H new ATOM 0 HA LYS A 989 4.309 -4.604 7.876 1.00 0.00 H new ATOM 0 HB2 LYS A 989 5.777 -5.987 8.837 1.00 0.00 H new ATOM 0 HB3 LYS A 989 5.534 -7.130 7.531 1.00 0.00 H new ATOM 0 HG2 LYS A 989 7.371 -5.892 6.257 1.00 0.00 H new ATOM 0 HG3 LYS A 989 7.691 -5.007 7.735 1.00 0.00 H new ATOM 0 HD2 LYS A 989 8.179 -7.072 8.945 1.00 0.00 H new ATOM 0 HD3 LYS A 989 7.662 -8.048 7.584 1.00 0.00 H new ATOM 0 HE2 LYS A 989 10.021 -8.058 7.451 1.00 0.00 H new ATOM 0 HE3 LYS A 989 9.521 -6.909 6.226 1.00 0.00 H new ATOM 0 HZ1 LYS A 989 11.350 -6.056 7.533 1.00 0.00 H new ATOM 0 HZ2 LYS A 989 9.967 -5.101 7.778 1.00 0.00 H new ATOM 0 HZ3 LYS A 989 10.451 -6.214 8.965 1.00 0.00 H new ATOM 1220 N LEU A 990 5.903 -4.518 5.010 1.00 0.00 N ATOM 1221 CA LEU A 990 6.574 -3.639 4.064 1.00 0.00 C ATOM 1222 C LEU A 990 5.833 -2.313 3.885 1.00 0.00 C ATOM 1223 O LEU A 990 6.387 -1.246 4.162 1.00 0.00 O ATOM 1224 CB LEU A 990 6.710 -4.340 2.722 1.00 0.00 C ATOM 1225 CG LEU A 990 6.984 -3.407 1.560 1.00 0.00 C ATOM 1226 CD1 LEU A 990 8.423 -2.910 1.585 1.00 0.00 C ATOM 1227 CD2 LEU A 990 6.662 -4.101 0.247 1.00 0.00 C ATOM 0 H LEU A 990 5.709 -5.452 4.648 1.00 0.00 H new ATOM 0 HA LEU A 990 7.561 -3.411 4.467 1.00 0.00 H new ATOM 0 HB2 LEU A 990 7.517 -5.070 2.786 1.00 0.00 H new ATOM 0 HB3 LEU A 990 5.794 -4.895 2.520 1.00 0.00 H new ATOM 0 HG LEU A 990 6.338 -2.534 1.654 1.00 0.00 H new ATOM 0 HD11 LEU A 990 8.592 -2.242 0.740 1.00 0.00 H new ATOM 0 HD12 LEU A 990 8.606 -2.372 2.515 1.00 0.00 H new ATOM 0 HD13 LEU A 990 9.103 -3.760 1.518 1.00 0.00 H new ATOM 0 HD21 LEU A 990 6.862 -3.422 -0.582 1.00 0.00 H new ATOM 0 HD22 LEU A 990 7.282 -4.992 0.145 1.00 0.00 H new ATOM 0 HD23 LEU A 990 5.610 -4.388 0.235 1.00 0.00 H new ATOM 1239 N LEU A 991 4.580 -2.387 3.439 1.00 0.00 N ATOM 1240 CA LEU A 991 3.753 -1.193 3.275 1.00 0.00 C ATOM 1241 C LEU A 991 3.642 -0.465 4.594 1.00 0.00 C ATOM 1242 O LEU A 991 3.681 0.757 4.656 1.00 0.00 O ATOM 1243 CB LEU A 991 2.347 -1.569 2.841 1.00 0.00 C ATOM 1244 CG LEU A 991 1.440 -0.387 2.509 1.00 0.00 C ATOM 1245 CD1 LEU A 991 1.645 0.065 1.074 1.00 0.00 C ATOM 1246 CD2 LEU A 991 -0.010 -0.744 2.773 1.00 0.00 C ATOM 0 H LEU A 991 4.116 -3.259 3.185 1.00 0.00 H new ATOM 0 HA LEU A 991 4.222 -0.563 2.519 1.00 0.00 H new ATOM 0 HB2 LEU A 991 2.413 -2.215 1.965 1.00 0.00 H new ATOM 0 HB3 LEU A 991 1.882 -2.154 3.634 1.00 0.00 H new ATOM 0 HG LEU A 991 1.706 0.448 3.158 1.00 0.00 H new ATOM 0 HD11 LEU A 991 0.988 0.908 0.861 1.00 0.00 H new ATOM 0 HD12 LEU A 991 2.682 0.368 0.933 1.00 0.00 H new ATOM 0 HD13 LEU A 991 1.412 -0.757 0.397 1.00 0.00 H new ATOM 0 HD21 LEU A 991 -0.644 0.109 2.532 1.00 0.00 H new ATOM 0 HD22 LEU A 991 -0.294 -1.594 2.153 1.00 0.00 H new ATOM 0 HD23 LEU A 991 -0.135 -1.003 3.824 1.00 0.00 H new ATOM 1258 N ASN A 992 3.533 -1.265 5.639 1.00 0.00 N ATOM 1259 CA ASN A 992 3.338 -0.797 7.000 1.00 0.00 C ATOM 1260 C ASN A 992 4.342 0.300 7.367 1.00 0.00 C ATOM 1261 O ASN A 992 3.955 1.374 7.832 1.00 0.00 O ATOM 1262 CB ASN A 992 3.477 -2.003 7.925 1.00 0.00 C ATOM 1263 CG ASN A 992 3.217 -1.711 9.395 1.00 0.00 C ATOM 1264 OD1 ASN A 992 3.509 -0.630 9.905 1.00 0.00 O ATOM 1265 ND2 ASN A 992 2.649 -2.686 10.089 1.00 0.00 N ATOM 0 H ASN A 992 3.579 -2.281 5.564 1.00 0.00 H new ATOM 0 HA ASN A 992 2.348 -0.352 7.103 1.00 0.00 H new ATOM 0 HB2 ASN A 992 2.786 -2.778 7.595 1.00 0.00 H new ATOM 0 HB3 ASN A 992 4.483 -2.409 7.822 1.00 0.00 H new ATOM 0 HD21 ASN A 992 2.440 -2.553 11.079 1.00 0.00 H new ATOM 0 HD22 ASN A 992 2.420 -3.570 9.634 1.00 0.00 H new ATOM 1272 N SER A 993 5.619 0.052 7.146 1.00 0.00 N ATOM 1273 CA SER A 993 6.623 1.057 7.457 1.00 0.00 C ATOM 1274 C SER A 993 6.688 2.152 6.388 1.00 0.00 C ATOM 1275 O SER A 993 6.992 3.294 6.713 1.00 0.00 O ATOM 1276 CB SER A 993 7.999 0.420 7.664 1.00 0.00 C ATOM 1277 OG SER A 993 8.955 1.381 8.083 1.00 0.00 O ATOM 0 H SER A 993 5.983 -0.819 6.760 1.00 0.00 H new ATOM 0 HA SER A 993 6.321 1.529 8.392 1.00 0.00 H new ATOM 0 HB2 SER A 993 7.927 -0.373 8.409 1.00 0.00 H new ATOM 0 HB3 SER A 993 8.330 -0.045 6.735 1.00 0.00 H new ATOM 0 HG SER A 993 9.824 0.945 8.209 1.00 0.00 H new ATOM 1283 N ASP A 994 6.410 1.832 5.129 1.00 0.00 N ATOM 1284 CA ASP A 994 6.471 2.874 4.096 1.00 0.00 C ATOM 1285 C ASP A 994 5.315 3.871 4.226 1.00 0.00 C ATOM 1286 O ASP A 994 5.469 5.055 3.954 1.00 0.00 O ATOM 1287 CB ASP A 994 6.545 2.294 2.685 1.00 0.00 C ATOM 1288 CG ASP A 994 7.862 2.651 2.015 1.00 0.00 C ATOM 1289 OD1 ASP A 994 7.938 3.706 1.351 1.00 0.00 O ATOM 1290 OD2 ASP A 994 8.839 1.890 2.177 1.00 0.00 O ATOM 0 H ASP A 994 6.150 0.902 4.802 1.00 0.00 H new ATOM 0 HA ASP A 994 7.400 3.419 4.264 1.00 0.00 H new ATOM 0 HB2 ASP A 994 6.437 1.210 2.728 1.00 0.00 H new ATOM 0 HB3 ASP A 994 5.715 2.673 2.089 1.00 0.00 H new ATOM 1295 N LEU A 995 4.154 3.383 4.641 1.00 0.00 N ATOM 1296 CA LEU A 995 3.021 4.242 4.990 1.00 0.00 C ATOM 1297 C LEU A 995 3.300 4.964 6.300 1.00 0.00 C ATOM 1298 O LEU A 995 2.662 5.971 6.600 1.00 0.00 O ATOM 1299 CB LEU A 995 1.713 3.447 5.069 1.00 0.00 C ATOM 1300 CG LEU A 995 1.592 2.498 6.266 1.00 0.00 C ATOM 1301 CD1 LEU A 995 0.871 3.172 7.424 1.00 0.00 C ATOM 1302 CD2 LEU A 995 0.884 1.218 5.863 1.00 0.00 C ATOM 0 H LEU A 995 3.967 2.386 4.746 1.00 0.00 H new ATOM 0 HA LEU A 995 2.899 4.982 4.199 1.00 0.00 H new ATOM 0 HB2 LEU A 995 0.881 4.151 5.099 1.00 0.00 H new ATOM 0 HB3 LEU A 995 1.605 2.865 4.153 1.00 0.00 H new ATOM 0 HG LEU A 995 2.598 2.243 6.600 1.00 0.00 H new ATOM 0 HD11 LEU A 995 0.798 2.477 8.261 1.00 0.00 H new ATOM 0 HD12 LEU A 995 1.428 4.056 7.734 1.00 0.00 H new ATOM 0 HD13 LEU A 995 -0.130 3.466 7.108 1.00 0.00 H new ATOM 0 HD21 LEU A 995 0.808 0.557 6.726 1.00 0.00 H new ATOM 0 HD22 LEU A 995 -0.115 1.455 5.498 1.00 0.00 H new ATOM 0 HD23 LEU A 995 1.450 0.722 5.075 1.00 0.00 H new ATOM 1314 N ALA A 996 4.265 4.488 7.060 1.00 0.00 N ATOM 1315 CA ALA A 996 4.767 5.278 8.185 1.00 0.00 C ATOM 1316 C ALA A 996 5.723 6.364 7.675 1.00 0.00 C ATOM 1317 O ALA A 996 5.821 7.445 8.263 1.00 0.00 O ATOM 1318 CB ALA A 996 5.414 4.402 9.248 1.00 0.00 C ATOM 0 H ALA A 996 4.714 3.581 6.931 1.00 0.00 H new ATOM 0 HA ALA A 996 3.921 5.767 8.668 1.00 0.00 H new ATOM 0 HB1 ALA A 996 5.773 5.027 10.065 1.00 0.00 H new ATOM 0 HB2 ALA A 996 4.681 3.692 9.630 1.00 0.00 H new ATOM 0 HB3 ALA A 996 6.252 3.859 8.811 1.00 0.00 H new ATOM 1324 N GLU A 997 6.361 6.110 6.540 1.00 0.00 N ATOM 1325 CA GLU A 997 7.180 7.118 5.873 1.00 0.00 C ATOM 1326 C GLU A 997 6.275 8.165 5.259 1.00 0.00 C ATOM 1327 O GLU A 997 6.501 9.365 5.401 1.00 0.00 O ATOM 1328 CB GLU A 997 8.005 6.491 4.752 1.00 0.00 C ATOM 1329 CG GLU A 997 8.848 5.317 5.184 1.00 0.00 C ATOM 1330 CD GLU A 997 10.192 5.730 5.739 1.00 0.00 C ATOM 1331 OE1 GLU A 997 10.234 6.519 6.706 1.00 0.00 O ATOM 1332 OE2 GLU A 997 11.219 5.275 5.195 1.00 0.00 O ATOM 0 H GLU A 997 6.328 5.211 6.059 1.00 0.00 H new ATOM 0 HA GLU A 997 7.848 7.561 6.611 1.00 0.00 H new ATOM 0 HB2 GLU A 997 7.332 6.167 3.958 1.00 0.00 H new ATOM 0 HB3 GLU A 997 8.656 7.254 4.326 1.00 0.00 H new ATOM 0 HG2 GLU A 997 8.308 4.747 5.940 1.00 0.00 H new ATOM 0 HG3 GLU A 997 9.000 4.653 4.333 1.00 0.00 H new ATOM 1339 N LEU A 998 5.232 7.688 4.599 1.00 0.00 N ATOM 1340 CA LEU A 998 4.314 8.548 3.882 1.00 0.00 C ATOM 1341 C LEU A 998 3.714 9.617 4.784 1.00 0.00 C ATOM 1342 O LEU A 998 3.724 10.796 4.445 1.00 0.00 O ATOM 1343 CB LEU A 998 3.189 7.714 3.288 1.00 0.00 C ATOM 1344 CG LEU A 998 1.816 8.403 3.286 1.00 0.00 C ATOM 1345 CD1 LEU A 998 1.553 9.078 1.954 1.00 0.00 C ATOM 1346 CD2 LEU A 998 0.706 7.424 3.634 1.00 0.00 C ATOM 0 H LEU A 998 5.001 6.696 4.547 1.00 0.00 H new ATOM 0 HA LEU A 998 4.879 9.045 3.094 1.00 0.00 H new ATOM 0 HB2 LEU A 998 3.451 7.452 2.263 1.00 0.00 H new ATOM 0 HB3 LEU A 998 3.112 6.781 3.846 1.00 0.00 H new ATOM 0 HG LEU A 998 1.828 9.173 4.057 1.00 0.00 H new ATOM 0 HD11 LEU A 998 0.575 9.559 1.977 1.00 0.00 H new ATOM 0 HD12 LEU A 998 2.322 9.828 1.768 1.00 0.00 H new ATOM 0 HD13 LEU A 998 1.573 8.333 1.158 1.00 0.00 H new ATOM 0 HD21 LEU A 998 -0.253 7.942 3.624 1.00 0.00 H new ATOM 0 HD22 LEU A 998 0.690 6.617 2.901 1.00 0.00 H new ATOM 0 HD23 LEU A 998 0.884 7.010 4.626 1.00 0.00 H new ATOM 1358 N ILE A 999 3.232 9.199 5.950 1.00 0.00 N ATOM 1359 CA ILE A 999 2.538 10.102 6.869 1.00 0.00 C ATOM 1360 C ILE A 999 3.485 11.155 7.429 1.00 0.00 C ATOM 1361 O ILE A 999 3.116 12.317 7.538 1.00 0.00 O ATOM 1362 CB ILE A 999 1.880 9.321 8.030 1.00 0.00 C ATOM 1363 CG1 ILE A 999 0.833 8.343 7.485 1.00 0.00 C ATOM 1364 CG2 ILE A 999 1.243 10.279 9.030 1.00 0.00 C ATOM 1365 CD1 ILE A 999 0.256 7.429 8.543 1.00 0.00 C ATOM 0 H ILE A 999 3.308 8.238 6.284 1.00 0.00 H new ATOM 0 HA ILE A 999 1.757 10.604 6.298 1.00 0.00 H new ATOM 0 HB ILE A 999 2.654 8.753 8.546 1.00 0.00 H new ATOM 0 HG12 ILE A 999 0.024 8.909 7.024 1.00 0.00 H new ATOM 0 HG13 ILE A 999 1.286 7.737 6.700 1.00 0.00 H new ATOM 0 HG21 ILE A 999 0.786 9.709 9.839 1.00 0.00 H new ATOM 0 HG22 ILE A 999 2.008 10.940 9.439 1.00 0.00 H new ATOM 0 HG23 ILE A 999 0.480 10.874 8.528 1.00 0.00 H new ATOM 0 HD11 ILE A 999 -0.478 6.764 8.088 1.00 0.00 H new ATOM 0 HD12 ILE A 999 1.056 6.837 8.988 1.00 0.00 H new ATOM 0 HD13 ILE A 999 -0.226 8.027 9.316 1.00 0.00 H new ATOM 1377 N ASN A1000 4.707 10.752 7.762 1.00 0.00 N ATOM 1378 CA ASN A1000 5.694 11.686 8.309 1.00 0.00 C ATOM 1379 C ASN A1000 6.033 12.800 7.313 1.00 0.00 C ATOM 1380 O ASN A1000 6.155 13.968 7.677 1.00 0.00 O ATOM 1381 CB ASN A1000 6.971 10.940 8.705 1.00 0.00 C ATOM 1382 CG ASN A1000 6.904 10.401 10.124 1.00 0.00 C ATOM 1383 OD1 ASN A1000 7.251 11.096 11.081 1.00 0.00 O ATOM 1384 ND2 ASN A1000 6.466 9.161 10.274 1.00 0.00 N ATOM 0 H ASN A1000 5.039 9.793 7.665 1.00 0.00 H new ATOM 0 HA ASN A1000 5.253 12.146 9.193 1.00 0.00 H new ATOM 0 HB2 ASN A1000 7.137 10.115 8.012 1.00 0.00 H new ATOM 0 HB3 ASN A1000 7.825 11.611 8.613 1.00 0.00 H new ATOM 0 HD21 ASN A1000 6.407 8.750 11.206 1.00 0.00 H new ATOM 0 HD22 ASN A1000 6.188 8.616 9.458 1.00 0.00 H new ATOM 1391 N LYS A1001 6.146 12.419 6.049 1.00 0.00 N ATOM 1392 CA LYS A1001 6.552 13.332 4.981 1.00 0.00 C ATOM 1393 C LYS A1001 5.358 14.174 4.559 1.00 0.00 C ATOM 1394 O LYS A1001 5.450 15.387 4.358 1.00 0.00 O ATOM 1395 CB LYS A1001 7.089 12.523 3.794 1.00 0.00 C ATOM 1396 CG LYS A1001 8.241 11.601 4.169 1.00 0.00 C ATOM 1397 CD LYS A1001 8.547 10.587 3.077 1.00 0.00 C ATOM 1398 CE LYS A1001 9.685 9.666 3.489 1.00 0.00 C ATOM 1399 NZ LYS A1001 10.038 8.690 2.423 1.00 0.00 N ATOM 0 H LYS A1001 5.959 11.468 5.731 1.00 0.00 H new ATOM 0 HA LYS A1001 7.341 13.994 5.337 1.00 0.00 H new ATOM 0 HB2 LYS A1001 6.279 11.928 3.372 1.00 0.00 H new ATOM 0 HB3 LYS A1001 7.420 13.209 3.015 1.00 0.00 H new ATOM 0 HG2 LYS A1001 9.131 12.198 4.368 1.00 0.00 H new ATOM 0 HG3 LYS A1001 7.997 11.075 5.092 1.00 0.00 H new ATOM 0 HD2 LYS A1001 7.656 9.996 2.865 1.00 0.00 H new ATOM 0 HD3 LYS A1001 8.811 11.108 2.157 1.00 0.00 H new ATOM 0 HE2 LYS A1001 10.562 10.264 3.735 1.00 0.00 H new ATOM 0 HE3 LYS A1001 9.403 9.126 4.393 1.00 0.00 H new ATOM 0 HZ1 LYS A1001 10.829 8.096 2.744 1.00 0.00 H new ATOM 0 HZ2 LYS A1001 9.215 8.088 2.217 1.00 0.00 H new ATOM 0 HZ3 LYS A1001 10.317 9.202 1.562 1.00 0.00 H new ATOM 1413 N MET A1002 4.224 13.507 4.488 1.00 0.00 N ATOM 1414 CA MET A1002 2.953 14.143 4.204 1.00 0.00 C ATOM 1415 C MET A1002 2.639 15.162 5.286 1.00 0.00 C ATOM 1416 O MET A1002 1.926 16.144 5.064 1.00 0.00 O ATOM 1417 CB MET A1002 1.858 13.077 4.154 1.00 0.00 C ATOM 1418 CG MET A1002 0.457 13.629 3.982 1.00 0.00 C ATOM 1419 SD MET A1002 -0.702 12.397 3.361 1.00 0.00 S ATOM 1420 CE MET A1002 -0.379 11.029 4.467 1.00 0.00 C ATOM 0 H MET A1002 4.158 12.499 4.627 1.00 0.00 H new ATOM 0 HA MET A1002 3.003 14.654 3.242 1.00 0.00 H new ATOM 0 HB2 MET A1002 2.070 12.394 3.332 1.00 0.00 H new ATOM 0 HB3 MET A1002 1.895 12.492 5.073 1.00 0.00 H new ATOM 0 HG2 MET A1002 0.100 14.008 4.939 1.00 0.00 H new ATOM 0 HG3 MET A1002 0.485 14.475 3.295 1.00 0.00 H new ATOM 0 HE1 MET A1002 -1.283 10.430 4.579 1.00 0.00 H new ATOM 0 HE2 MET A1002 0.418 10.409 4.056 1.00 0.00 H new ATOM 0 HE3 MET A1002 -0.075 11.413 5.441 1.00 0.00 H new ATOM 1430 N LYS A1003 3.195 14.915 6.463 1.00 0.00 N ATOM 1431 CA LYS A1003 2.862 15.670 7.641 1.00 0.00 C ATOM 1432 C LYS A1003 3.480 17.061 7.607 1.00 0.00 C ATOM 1433 O LYS A1003 2.775 18.058 7.706 1.00 0.00 O ATOM 1434 CB LYS A1003 3.345 14.939 8.891 1.00 0.00 C ATOM 1435 CG LYS A1003 2.383 15.051 10.052 1.00 0.00 C ATOM 1436 CD LYS A1003 1.070 14.359 9.732 1.00 0.00 C ATOM 1437 CE LYS A1003 0.066 14.524 10.862 1.00 0.00 C ATOM 1438 NZ LYS A1003 -0.145 15.956 11.212 1.00 0.00 N ATOM 0 H LYS A1003 3.889 14.184 6.618 1.00 0.00 H new ATOM 0 HA LYS A1003 1.777 15.773 7.667 1.00 0.00 H new ATOM 0 HB2 LYS A1003 3.497 13.886 8.653 1.00 0.00 H new ATOM 0 HB3 LYS A1003 4.313 15.342 9.189 1.00 0.00 H new ATOM 0 HG2 LYS A1003 2.827 14.605 10.942 1.00 0.00 H new ATOM 0 HG3 LYS A1003 2.200 16.101 10.279 1.00 0.00 H new ATOM 0 HD2 LYS A1003 0.655 14.770 8.812 1.00 0.00 H new ATOM 0 HD3 LYS A1003 1.250 13.299 9.555 1.00 0.00 H new ATOM 0 HE2 LYS A1003 -0.885 14.077 10.571 1.00 0.00 H new ATOM 0 HE3 LYS A1003 0.416 13.983 11.741 1.00 0.00 H new ATOM 0 HZ1 LYS A1003 -1.148 16.114 11.436 1.00 0.00 H new ATOM 0 HZ2 LYS A1003 0.437 16.201 12.038 1.00 0.00 H new ATOM 0 HZ3 LYS A1003 0.128 16.554 10.406 1.00 0.00 H new ATOM 1452 N LEU A1004 4.794 17.142 7.432 1.00 0.00 N ATOM 1453 CA LEU A1004 5.451 18.445 7.376 1.00 0.00 C ATOM 1454 C LEU A1004 5.049 19.195 6.122 1.00 0.00 C ATOM 1455 O LEU A1004 5.256 20.402 6.018 1.00 0.00 O ATOM 1456 CB LEU A1004 6.976 18.352 7.473 1.00 0.00 C ATOM 1457 CG LEU A1004 7.527 18.037 8.869 1.00 0.00 C ATOM 1458 CD1 LEU A1004 7.308 16.578 9.235 1.00 0.00 C ATOM 1459 CD2 LEU A1004 9.002 18.392 8.952 1.00 0.00 C ATOM 0 H LEU A1004 5.416 16.340 7.328 1.00 0.00 H new ATOM 0 HA LEU A1004 5.112 18.998 8.252 1.00 0.00 H new ATOM 0 HB2 LEU A1004 7.321 17.583 6.782 1.00 0.00 H new ATOM 0 HB3 LEU A1004 7.403 19.297 7.137 1.00 0.00 H new ATOM 0 HG LEU A1004 6.980 18.646 9.589 1.00 0.00 H new ATOM 0 HD11 LEU A1004 7.710 16.388 10.230 1.00 0.00 H new ATOM 0 HD12 LEU A1004 6.241 16.357 9.227 1.00 0.00 H new ATOM 0 HD13 LEU A1004 7.816 15.941 8.511 1.00 0.00 H new ATOM 0 HD21 LEU A1004 9.376 18.162 9.950 1.00 0.00 H new ATOM 0 HD22 LEU A1004 9.558 17.814 8.214 1.00 0.00 H new ATOM 0 HD23 LEU A1004 9.132 19.456 8.752 1.00 0.00 H new ATOM 1471 N ALA A1005 4.441 18.490 5.185 1.00 0.00 N ATOM 1472 CA ALA A1005 3.951 19.148 3.998 1.00 0.00 C ATOM 1473 C ALA A1005 2.764 20.023 4.362 1.00 0.00 C ATOM 1474 O ALA A1005 2.659 21.129 3.875 1.00 0.00 O ATOM 1475 CB ALA A1005 3.611 18.165 2.893 1.00 0.00 C ATOM 0 H ALA A1005 4.279 17.484 5.224 1.00 0.00 H new ATOM 0 HA ALA A1005 4.746 19.778 3.599 1.00 0.00 H new ATOM 0 HB1 ALA A1005 3.247 18.709 2.021 1.00 0.00 H new ATOM 0 HB2 ALA A1005 4.503 17.600 2.622 1.00 0.00 H new ATOM 0 HB3 ALA A1005 2.839 17.479 3.241 1.00 0.00 H new ATOM 1481 N GLN A1006 1.870 19.531 5.205 1.00 0.00 N ATOM 1482 CA GLN A1006 0.807 20.373 5.751 1.00 0.00 C ATOM 1483 C GLN A1006 1.320 21.280 6.864 1.00 0.00 C ATOM 1484 O GLN A1006 0.876 22.430 6.954 1.00 0.00 O ATOM 1485 CB GLN A1006 -0.421 19.558 6.174 1.00 0.00 C ATOM 1486 CG GLN A1006 -0.176 18.383 7.127 1.00 0.00 C ATOM 1487 CD GLN A1006 -0.043 18.751 8.603 1.00 0.00 C ATOM 1488 OE1 GLN A1006 0.617 18.041 9.363 1.00 0.00 O ATOM 1489 NE2 GLN A1006 -0.672 19.830 9.035 1.00 0.00 N ATOM 0 H GLN A1006 1.855 18.563 5.526 1.00 0.00 H new ATOM 0 HA GLN A1006 0.472 21.026 4.945 1.00 0.00 H new ATOM 0 HB2 GLN A1006 -1.132 20.236 6.646 1.00 0.00 H new ATOM 0 HB3 GLN A1006 -0.899 19.171 5.274 1.00 0.00 H new ATOM 0 HG2 GLN A1006 -0.997 17.674 7.020 1.00 0.00 H new ATOM 0 HG3 GLN A1006 0.733 17.868 6.815 1.00 0.00 H new ATOM 0 HE21 GLN A1006 -1.212 20.401 8.384 1.00 0.00 H new ATOM 0 HE22 GLN A1006 -0.618 20.092 10.019 1.00 0.00 H new ATOM 1498 N GLN A1007 2.276 20.803 7.659 1.00 0.00 N ATOM 1499 CA GLN A1007 2.904 21.639 8.687 1.00 0.00 C ATOM 1500 C GLN A1007 3.274 23.002 8.118 1.00 0.00 C ATOM 1501 O GLN A1007 2.962 24.043 8.694 1.00 0.00 O ATOM 1502 CB GLN A1007 4.154 20.968 9.249 1.00 0.00 C ATOM 1503 CG GLN A1007 3.864 19.879 10.266 1.00 0.00 C ATOM 1504 CD GLN A1007 3.216 20.427 11.521 1.00 0.00 C ATOM 1505 OE1 GLN A1007 1.994 20.437 11.653 1.00 0.00 O ATOM 1506 NE2 GLN A1007 4.032 20.928 12.430 1.00 0.00 N ATOM 0 H GLN A1007 2.633 19.848 7.614 1.00 0.00 H new ATOM 0 HA GLN A1007 2.181 21.770 9.492 1.00 0.00 H new ATOM 0 HB2 GLN A1007 4.726 20.540 8.426 1.00 0.00 H new ATOM 0 HB3 GLN A1007 4.784 21.727 9.713 1.00 0.00 H new ATOM 0 HG2 GLN A1007 3.210 19.131 9.818 1.00 0.00 H new ATOM 0 HG3 GLN A1007 4.793 19.374 10.530 1.00 0.00 H new ATOM 0 HE21 GLN A1007 5.041 20.899 12.281 1.00 0.00 H new ATOM 0 HE22 GLN A1007 3.654 21.344 13.281 1.00 0.00 H new ATOM 1515 N TYR A1008 3.935 23.000 6.974 1.00 0.00 N ATOM 1516 CA TYR A1008 4.191 24.243 6.280 1.00 0.00 C ATOM 1517 C TYR A1008 3.715 24.159 4.843 1.00 0.00 C ATOM 1518 O TYR A1008 4.415 24.552 3.906 1.00 0.00 O ATOM 1519 CB TYR A1008 5.661 24.645 6.377 1.00 0.00 C ATOM 1520 CG TYR A1008 6.008 25.189 7.744 1.00 0.00 C ATOM 1521 CD1 TYR A1008 5.700 26.502 8.079 1.00 0.00 C ATOM 1522 CD2 TYR A1008 6.615 24.390 8.704 1.00 0.00 C ATOM 1523 CE1 TYR A1008 5.986 27.003 9.332 1.00 0.00 C ATOM 1524 CE2 TYR A1008 6.909 24.886 9.959 1.00 0.00 C ATOM 1525 CZ TYR A1008 6.590 26.192 10.268 1.00 0.00 C ATOM 1526 OH TYR A1008 6.873 26.686 11.519 1.00 0.00 O ATOM 0 H TYR A1008 4.298 22.165 6.514 1.00 0.00 H new ATOM 0 HA TYR A1008 3.620 25.032 6.770 1.00 0.00 H new ATOM 0 HB2 TYR A1008 6.289 23.781 6.160 1.00 0.00 H new ATOM 0 HB3 TYR A1008 5.882 25.397 5.620 1.00 0.00 H new ATOM 0 HD1 TYR A1008 5.229 27.141 7.346 1.00 0.00 H new ATOM 0 HD2 TYR A1008 6.861 23.366 8.466 1.00 0.00 H new ATOM 0 HE1 TYR A1008 5.738 28.025 9.578 1.00 0.00 H new ATOM 0 HE2 TYR A1008 7.386 24.255 10.694 1.00 0.00 H new ATOM 0 HH TYR A1008 7.297 25.986 12.059 1.00 0.00 H new ATOM 1536 N VAL A1009 2.493 23.638 4.694 1.00 0.00 N ATOM 1537 CA VAL A1009 1.760 23.653 3.429 1.00 0.00 C ATOM 1538 C VAL A1009 1.669 25.068 2.893 1.00 0.00 C ATOM 1539 O VAL A1009 1.400 25.304 1.715 1.00 0.00 O ATOM 1540 CB VAL A1009 0.343 23.076 3.636 1.00 0.00 C ATOM 1541 CG1 VAL A1009 -0.490 23.998 4.514 1.00 0.00 C ATOM 1542 CG2 VAL A1009 -0.337 22.809 2.306 1.00 0.00 C ATOM 0 H VAL A1009 1.983 23.191 5.456 1.00 0.00 H new ATOM 0 HA VAL A1009 2.294 23.037 2.705 1.00 0.00 H new ATOM 0 HB VAL A1009 0.436 22.120 4.152 1.00 0.00 H new ATOM 0 HG11 VAL A1009 -1.485 23.573 4.647 1.00 0.00 H new ATOM 0 HG12 VAL A1009 -0.009 24.107 5.486 1.00 0.00 H new ATOM 0 HG13 VAL A1009 -0.574 24.975 4.039 1.00 0.00 H new ATOM 0 HG21 VAL A1009 -1.333 22.403 2.482 1.00 0.00 H new ATOM 0 HG22 VAL A1009 -0.418 23.740 1.745 1.00 0.00 H new ATOM 0 HG23 VAL A1009 0.251 22.092 1.734 1.00 0.00 H new ATOM 1552 N MET A1010 1.894 25.995 3.800 1.00 0.00 N ATOM 1553 CA MET A1010 1.967 27.406 3.483 1.00 0.00 C ATOM 1554 C MET A1010 2.901 27.674 2.294 1.00 0.00 C ATOM 1555 O MET A1010 2.596 28.533 1.465 1.00 0.00 O ATOM 1556 CB MET A1010 2.429 28.181 4.717 1.00 0.00 C ATOM 1557 CG MET A1010 1.548 27.950 5.937 1.00 0.00 C ATOM 1558 SD MET A1010 2.168 28.761 7.425 1.00 0.00 S ATOM 1559 CE MET A1010 1.910 30.481 7.002 1.00 0.00 C ATOM 0 H MET A1010 2.033 25.788 4.789 1.00 0.00 H new ATOM 0 HA MET A1010 0.973 27.745 3.192 1.00 0.00 H new ATOM 0 HB2 MET A1010 3.453 27.893 4.957 1.00 0.00 H new ATOM 0 HB3 MET A1010 2.444 29.246 4.484 1.00 0.00 H new ATOM 0 HG2 MET A1010 0.542 28.313 5.725 1.00 0.00 H new ATOM 0 HG3 MET A1010 1.468 26.879 6.122 1.00 0.00 H new ATOM 0 HE1 MET A1010 2.059 31.100 7.887 1.00 0.00 H new ATOM 0 HE2 MET A1010 2.620 30.776 6.229 1.00 0.00 H new ATOM 0 HE3 MET A1010 0.894 30.616 6.632 1.00 0.00 H new ATOM 1569 N THR A1011 4.030 26.950 2.188 1.00 0.00 N ATOM 1570 CA THR A1011 4.950 27.172 1.059 1.00 0.00 C ATOM 1571 C THR A1011 5.962 26.033 0.809 1.00 0.00 C ATOM 1572 O THR A1011 5.621 24.979 0.240 1.00 0.00 O ATOM 1573 CB THR A1011 5.740 28.492 1.222 1.00 0.00 C ATOM 1574 OG1 THR A1011 5.529 29.047 2.530 1.00 0.00 O ATOM 1575 CG2 THR A1011 5.343 29.503 0.157 1.00 0.00 C ATOM 0 H THR A1011 4.321 26.228 2.848 1.00 0.00 H new ATOM 0 HA THR A1011 4.289 27.215 0.193 1.00 0.00 H new ATOM 0 HB THR A1011 6.799 28.264 1.101 1.00 0.00 H new ATOM 0 HG1 THR A1011 6.037 29.881 2.617 1.00 0.00 H new ATOM 0 HG21 THR A1011 5.914 30.421 0.296 1.00 0.00 H new ATOM 0 HG22 THR A1011 5.552 29.092 -0.831 1.00 0.00 H new ATOM 0 HG23 THR A1011 4.278 29.722 0.242 1.00 0.00 H new ATOM 1583 N SER A1012 7.208 26.268 1.237 1.00 0.00 N ATOM 1584 CA SER A1012 8.361 25.468 0.816 1.00 0.00 C ATOM 1585 C SER A1012 8.203 23.988 1.134 1.00 0.00 C ATOM 1586 O SER A1012 8.234 23.150 0.221 1.00 0.00 O ATOM 1587 CB SER A1012 9.630 26.014 1.469 1.00 0.00 C ATOM 1588 OG SER A1012 9.774 27.400 1.206 1.00 0.00 O ATOM 0 H SER A1012 7.444 27.019 1.885 1.00 0.00 H new ATOM 0 HA SER A1012 8.432 25.549 -0.269 1.00 0.00 H new ATOM 0 HB2 SER A1012 9.592 25.845 2.545 1.00 0.00 H new ATOM 0 HB3 SER A1012 10.499 25.475 1.092 1.00 0.00 H new ATOM 0 HG SER A1012 10.591 27.731 1.634 1.00 0.00 H new ATOM 1594 N LEU A1013 8.057 23.661 2.419 1.00 0.00 N ATOM 1595 CA LEU A1013 7.836 22.291 2.839 1.00 0.00 C ATOM 1596 C LEU A1013 6.794 21.602 1.998 1.00 0.00 C ATOM 1597 O LEU A1013 6.989 20.468 1.582 1.00 0.00 O ATOM 1598 CB LEU A1013 7.364 22.271 4.287 1.00 0.00 C ATOM 1599 CG LEU A1013 8.411 21.805 5.306 1.00 0.00 C ATOM 1600 CD1 LEU A1013 9.671 22.654 5.217 1.00 0.00 C ATOM 1601 CD2 LEU A1013 7.854 21.839 6.720 1.00 0.00 C ATOM 0 H LEU A1013 8.089 24.335 3.184 1.00 0.00 H new ATOM 0 HA LEU A1013 8.782 21.763 2.725 1.00 0.00 H new ATOM 0 HB2 LEU A1013 7.035 23.274 4.560 1.00 0.00 H new ATOM 0 HB3 LEU A1013 6.493 21.619 4.360 1.00 0.00 H new ATOM 0 HG LEU A1013 8.669 20.774 5.064 1.00 0.00 H new ATOM 0 HD11 LEU A1013 10.398 22.304 5.950 1.00 0.00 H new ATOM 0 HD12 LEU A1013 10.095 22.572 4.216 1.00 0.00 H new ATOM 0 HD13 LEU A1013 9.423 23.696 5.421 1.00 0.00 H new ATOM 0 HD21 LEU A1013 8.619 21.503 7.420 1.00 0.00 H new ATOM 0 HD22 LEU A1013 7.556 22.857 6.969 1.00 0.00 H new ATOM 0 HD23 LEU A1013 6.988 21.181 6.786 1.00 0.00 H new ATOM 1613 N GLN A1014 5.716 22.310 1.719 1.00 0.00 N ATOM 1614 CA GLN A1014 4.550 21.699 1.129 1.00 0.00 C ATOM 1615 C GLN A1014 4.887 20.961 -0.162 1.00 0.00 C ATOM 1616 O GLN A1014 4.552 19.794 -0.323 1.00 0.00 O ATOM 1617 CB GLN A1014 3.490 22.761 0.880 1.00 0.00 C ATOM 1618 CG GLN A1014 2.372 22.304 -0.035 1.00 0.00 C ATOM 1619 CD GLN A1014 2.093 23.287 -1.150 1.00 0.00 C ATOM 1620 OE1 GLN A1014 3.140 23.944 -1.624 1.00 0.00 O flip ATOM 1621 NE2 GLN A1014 0.954 23.438 -1.597 1.00 0.00 N flip ATOM 0 H GLN A1014 5.628 23.311 1.894 1.00 0.00 H new ATOM 0 HA GLN A1014 4.164 20.957 1.828 1.00 0.00 H new ATOM 0 HB2 GLN A1014 3.063 23.067 1.835 1.00 0.00 H new ATOM 0 HB3 GLN A1014 3.965 23.641 0.447 1.00 0.00 H new ATOM 0 HG2 GLN A1014 2.632 21.337 -0.465 1.00 0.00 H new ATOM 0 HG3 GLN A1014 1.465 22.158 0.551 1.00 0.00 H new ATOM 0 HE21 GLN A1014 0.176 22.910 -1.201 1.00 0.00 H new ATOM 0 HE22 GLN A1014 0.789 24.091 -2.363 1.00 0.00 H new ATOM 1630 N GLN A1015 5.592 21.639 -1.066 1.00 0.00 N ATOM 1631 CA GLN A1015 5.863 21.072 -2.380 1.00 0.00 C ATOM 1632 C GLN A1015 6.849 19.914 -2.294 1.00 0.00 C ATOM 1633 O GLN A1015 6.664 18.892 -2.945 1.00 0.00 O ATOM 1634 CB GLN A1015 6.381 22.138 -3.347 1.00 0.00 C ATOM 1635 CG GLN A1015 5.306 23.087 -3.846 1.00 0.00 C ATOM 1636 CD GLN A1015 4.245 22.387 -4.678 1.00 0.00 C ATOM 1637 OE1 GLN A1015 4.640 21.343 -5.393 1.00 0.00 O flip ATOM 1638 NE2 GLN A1015 3.082 22.789 -4.687 1.00 0.00 N flip ATOM 0 H GLN A1015 5.980 22.570 -0.913 1.00 0.00 H new ATOM 0 HA GLN A1015 4.919 20.687 -2.765 1.00 0.00 H new ATOM 0 HB2 GLN A1015 7.161 22.716 -2.852 1.00 0.00 H new ATOM 0 HB3 GLN A1015 6.843 21.645 -4.202 1.00 0.00 H new ATOM 0 HG2 GLN A1015 4.831 23.572 -2.993 1.00 0.00 H new ATOM 0 HG3 GLN A1015 5.769 23.873 -4.442 1.00 0.00 H new ATOM 0 HE21 GLN A1015 2.817 23.596 -4.123 1.00 0.00 H new ATOM 0 HE22 GLN A1015 2.383 22.315 -5.259 1.00 0.00 H new ATOM 1647 N GLU A1016 7.882 20.064 -1.478 1.00 0.00 N ATOM 1648 CA GLU A1016 8.866 19.001 -1.300 1.00 0.00 C ATOM 1649 C GLU A1016 8.258 17.819 -0.556 1.00 0.00 C ATOM 1650 O GLU A1016 8.274 16.692 -1.031 1.00 0.00 O ATOM 1651 CB GLU A1016 10.073 19.519 -0.521 1.00 0.00 C ATOM 1652 CG GLU A1016 11.068 18.426 -0.168 1.00 0.00 C ATOM 1653 CD GLU A1016 12.328 18.963 0.474 1.00 0.00 C ATOM 1654 OE1 GLU A1016 13.198 19.473 -0.263 1.00 0.00 O ATOM 1655 OE2 GLU A1016 12.455 18.875 1.712 1.00 0.00 O ATOM 0 H GLU A1016 8.062 20.906 -0.931 1.00 0.00 H new ATOM 0 HA GLU A1016 9.185 18.672 -2.289 1.00 0.00 H new ATOM 0 HB2 GLU A1016 10.577 20.285 -1.111 1.00 0.00 H new ATOM 0 HB3 GLU A1016 9.728 19.998 0.395 1.00 0.00 H new ATOM 0 HG2 GLU A1016 10.595 17.716 0.510 1.00 0.00 H new ATOM 0 HG3 GLU A1016 11.332 17.876 -1.071 1.00 0.00 H new ATOM 1662 N TYR A1017 7.714 18.107 0.599 1.00 0.00 N ATOM 1663 CA TYR A1017 7.151 17.113 1.482 1.00 0.00 C ATOM 1664 C TYR A1017 6.002 16.316 0.870 1.00 0.00 C ATOM 1665 O TYR A1017 5.875 15.127 1.102 1.00 0.00 O ATOM 1666 CB TYR A1017 6.684 17.841 2.724 1.00 0.00 C ATOM 1667 CG TYR A1017 7.813 17.862 3.732 1.00 0.00 C ATOM 1668 CD1 TYR A1017 8.036 16.771 4.563 1.00 0.00 C ATOM 1669 CD2 TYR A1017 8.700 18.927 3.806 1.00 0.00 C ATOM 1670 CE1 TYR A1017 9.100 16.742 5.439 1.00 0.00 C ATOM 1671 CE2 TYR A1017 9.763 18.910 4.692 1.00 0.00 C ATOM 1672 CZ TYR A1017 9.958 17.813 5.502 1.00 0.00 C ATOM 1673 OH TYR A1017 11.026 17.777 6.369 1.00 0.00 O ATOM 0 H TYR A1017 7.648 19.058 0.961 1.00 0.00 H new ATOM 0 HA TYR A1017 7.920 16.372 1.702 1.00 0.00 H new ATOM 0 HB2 TYR A1017 6.383 18.858 2.474 1.00 0.00 H new ATOM 0 HB3 TYR A1017 5.810 17.344 3.146 1.00 0.00 H new ATOM 0 HD1 TYR A1017 7.362 15.928 4.522 1.00 0.00 H new ATOM 0 HD2 TYR A1017 8.558 19.782 3.162 1.00 0.00 H new ATOM 0 HE1 TYR A1017 9.258 15.882 6.072 1.00 0.00 H new ATOM 0 HE2 TYR A1017 10.436 19.753 4.748 1.00 0.00 H new ATOM 0 HH TYR A1017 11.537 18.610 6.293 1.00 0.00 H new ATOM 1683 N LYS A1018 5.151 17.013 0.095 1.00 0.00 N ATOM 1684 CA LYS A1018 3.974 16.412 -0.543 1.00 0.00 C ATOM 1685 C LYS A1018 4.372 15.685 -1.823 1.00 0.00 C ATOM 1686 O LYS A1018 3.741 14.702 -2.213 1.00 0.00 O ATOM 1687 CB LYS A1018 2.900 17.471 -0.859 1.00 0.00 C ATOM 1688 CG LYS A1018 1.571 16.900 -1.364 1.00 0.00 C ATOM 1689 CD LYS A1018 0.797 16.192 -0.257 1.00 0.00 C ATOM 1690 CE LYS A1018 -0.496 15.549 -0.765 1.00 0.00 C ATOM 1691 NZ LYS A1018 -1.501 16.548 -1.239 1.00 0.00 N ATOM 0 H LYS A1018 5.263 18.007 -0.104 1.00 0.00 H new ATOM 0 HA LYS A1018 3.551 15.696 0.161 1.00 0.00 H new ATOM 0 HB2 LYS A1018 2.710 18.057 0.040 1.00 0.00 H new ATOM 0 HB3 LYS A1018 3.294 18.157 -1.609 1.00 0.00 H new ATOM 0 HG2 LYS A1018 0.962 17.706 -1.774 1.00 0.00 H new ATOM 0 HG3 LYS A1018 1.763 16.200 -2.177 1.00 0.00 H new ATOM 0 HD2 LYS A1018 1.429 15.425 0.190 1.00 0.00 H new ATOM 0 HD3 LYS A1018 0.558 16.907 0.530 1.00 0.00 H new ATOM 0 HE2 LYS A1018 -0.259 14.866 -1.581 1.00 0.00 H new ATOM 0 HE3 LYS A1018 -0.936 14.951 0.034 1.00 0.00 H new ATOM 0 HZ1 LYS A1018 -2.427 16.086 -1.345 1.00 0.00 H new ATOM 0 HZ2 LYS A1018 -1.577 17.320 -0.546 1.00 0.00 H new ATOM 0 HZ3 LYS A1018 -1.200 16.935 -2.156 1.00 0.00 H new ATOM 1705 N LYS A1019 5.416 16.169 -2.486 1.00 0.00 N ATOM 1706 CA LYS A1019 5.929 15.478 -3.658 1.00 0.00 C ATOM 1707 C LYS A1019 6.661 14.222 -3.199 1.00 0.00 C ATOM 1708 O LYS A1019 6.543 13.161 -3.794 1.00 0.00 O ATOM 1709 CB LYS A1019 6.785 16.422 -4.526 1.00 0.00 C ATOM 1710 CG LYS A1019 8.172 15.929 -4.876 1.00 0.00 C ATOM 1711 CD LYS A1019 9.155 16.334 -3.807 1.00 0.00 C ATOM 1712 CE LYS A1019 10.576 15.926 -4.172 1.00 0.00 C ATOM 1713 NZ LYS A1019 11.576 16.405 -3.183 1.00 0.00 N ATOM 0 H LYS A1019 5.915 17.023 -2.236 1.00 0.00 H new ATOM 0 HA LYS A1019 5.113 15.163 -4.308 1.00 0.00 H new ATOM 0 HB2 LYS A1019 6.246 16.618 -5.453 1.00 0.00 H new ATOM 0 HB3 LYS A1019 6.881 17.375 -4.005 1.00 0.00 H new ATOM 0 HG2 LYS A1019 8.164 14.844 -4.981 1.00 0.00 H new ATOM 0 HG3 LYS A1019 8.480 16.340 -5.838 1.00 0.00 H new ATOM 0 HD2 LYS A1019 9.111 17.413 -3.661 1.00 0.00 H new ATOM 0 HD3 LYS A1019 8.875 15.873 -2.860 1.00 0.00 H new ATOM 0 HE2 LYS A1019 10.632 14.840 -4.244 1.00 0.00 H new ATOM 0 HE3 LYS A1019 10.824 16.324 -5.156 1.00 0.00 H new ATOM 0 HZ1 LYS A1019 12.518 16.045 -3.439 1.00 0.00 H new ATOM 0 HZ2 LYS A1019 11.592 17.445 -3.181 1.00 0.00 H new ATOM 0 HZ3 LYS A1019 11.320 16.061 -2.236 1.00 0.00 H new ATOM 1727 N GLN A1020 7.373 14.368 -2.097 1.00 0.00 N ATOM 1728 CA GLN A1020 7.893 13.258 -1.314 1.00 0.00 C ATOM 1729 C GLN A1020 6.745 12.427 -0.738 1.00 0.00 C ATOM 1730 O GLN A1020 6.864 11.211 -0.608 1.00 0.00 O ATOM 1731 CB GLN A1020 8.757 13.835 -0.191 1.00 0.00 C ATOM 1732 CG GLN A1020 9.443 12.805 0.682 1.00 0.00 C ATOM 1733 CD GLN A1020 10.455 13.430 1.626 1.00 0.00 C ATOM 1734 OE1 GLN A1020 10.231 14.685 1.993 1.00 0.00 O flip ATOM 1735 NE2 GLN A1020 11.441 12.799 2.006 1.00 0.00 N flip ATOM 0 H GLN A1020 7.612 15.281 -1.711 1.00 0.00 H new ATOM 0 HA GLN A1020 8.491 12.600 -1.944 1.00 0.00 H new ATOM 0 HB2 GLN A1020 9.517 14.479 -0.632 1.00 0.00 H new ATOM 0 HB3 GLN A1020 8.132 14.466 0.441 1.00 0.00 H new ATOM 0 HG2 GLN A1020 8.693 12.266 1.262 1.00 0.00 H new ATOM 0 HG3 GLN A1020 9.944 12.072 0.050 1.00 0.00 H new ATOM 0 HE21 GLN A1020 11.578 11.835 1.702 1.00 0.00 H new ATOM 0 HE22 GLN A1020 12.121 13.240 2.625 1.00 0.00 H new ATOM 1744 N MET A1021 5.631 13.072 -0.426 1.00 0.00 N ATOM 1745 CA MET A1021 4.462 12.365 0.079 1.00 0.00 C ATOM 1746 C MET A1021 3.928 11.428 -0.973 1.00 0.00 C ATOM 1747 O MET A1021 3.748 10.247 -0.710 1.00 0.00 O ATOM 1748 CB MET A1021 3.358 13.338 0.511 1.00 0.00 C ATOM 1749 CG MET A1021 2.034 12.678 0.861 1.00 0.00 C ATOM 1750 SD MET A1021 0.978 12.455 -0.587 1.00 0.00 S ATOM 1751 CE MET A1021 -0.401 11.562 0.112 1.00 0.00 C ATOM 0 H MET A1021 5.511 14.081 -0.513 1.00 0.00 H new ATOM 0 HA MET A1021 4.773 11.794 0.954 1.00 0.00 H new ATOM 0 HB2 MET A1021 3.707 13.902 1.376 1.00 0.00 H new ATOM 0 HB3 MET A1021 3.190 14.056 -0.292 1.00 0.00 H new ATOM 0 HG2 MET A1021 2.224 11.709 1.322 1.00 0.00 H new ATOM 0 HG3 MET A1021 1.511 13.286 1.600 1.00 0.00 H new ATOM 0 HE1 MET A1021 -0.770 10.837 -0.613 1.00 0.00 H new ATOM 0 HE2 MET A1021 -0.078 11.041 1.013 1.00 0.00 H new ATOM 0 HE3 MET A1021 -1.198 12.262 0.363 1.00 0.00 H new ATOM 1761 N LEU A1022 3.707 11.932 -2.180 1.00 0.00 N ATOM 1762 CA LEU A1022 3.094 11.103 -3.192 1.00 0.00 C ATOM 1763 C LEU A1022 4.148 10.211 -3.842 1.00 0.00 C ATOM 1764 O LEU A1022 3.826 9.353 -4.645 1.00 0.00 O ATOM 1765 CB LEU A1022 2.337 11.941 -4.236 1.00 0.00 C ATOM 1766 CG LEU A1022 2.942 11.942 -5.640 1.00 0.00 C ATOM 1767 CD1 LEU A1022 1.861 12.192 -6.675 1.00 0.00 C ATOM 1768 CD2 LEU A1022 4.033 12.996 -5.759 1.00 0.00 C ATOM 0 H LEU A1022 3.937 12.882 -2.471 1.00 0.00 H new ATOM 0 HA LEU A1022 2.352 10.466 -2.710 1.00 0.00 H new ATOM 0 HB2 LEU A1022 1.313 11.572 -4.300 1.00 0.00 H new ATOM 0 HB3 LEU A1022 2.283 12.970 -3.881 1.00 0.00 H new ATOM 0 HG LEU A1022 3.388 10.964 -5.820 1.00 0.00 H new ATOM 0 HD11 LEU A1022 2.304 12.191 -7.671 1.00 0.00 H new ATOM 0 HD12 LEU A1022 1.108 11.407 -6.611 1.00 0.00 H new ATOM 0 HD13 LEU A1022 1.394 13.159 -6.487 1.00 0.00 H new ATOM 0 HD21 LEU A1022 4.448 12.978 -6.767 1.00 0.00 H new ATOM 0 HD22 LEU A1022 3.611 13.981 -5.558 1.00 0.00 H new ATOM 0 HD23 LEU A1022 4.822 12.786 -5.037 1.00 0.00 H new ATOM 1780 N THR A1023 5.415 10.435 -3.493 1.00 0.00 N ATOM 1781 CA THR A1023 6.497 9.566 -3.939 1.00 0.00 C ATOM 1782 C THR A1023 6.663 8.400 -2.966 1.00 0.00 C ATOM 1783 O THR A1023 6.942 7.282 -3.376 1.00 0.00 O ATOM 1784 CB THR A1023 7.835 10.330 -4.086 1.00 0.00 C ATOM 1785 OG1 THR A1023 7.716 11.326 -5.109 1.00 0.00 O ATOM 1786 CG2 THR A1023 8.978 9.387 -4.437 1.00 0.00 C ATOM 0 H THR A1023 5.714 11.211 -2.903 1.00 0.00 H new ATOM 0 HA THR A1023 6.229 9.186 -4.925 1.00 0.00 H new ATOM 0 HB THR A1023 8.057 10.801 -3.128 1.00 0.00 H new ATOM 0 HG1 THR A1023 7.059 11.999 -4.835 1.00 0.00 H new ATOM 0 HG21 THR A1023 9.903 9.956 -4.533 1.00 0.00 H new ATOM 0 HG22 THR A1023 9.090 8.642 -3.649 1.00 0.00 H new ATOM 0 HG23 THR A1023 8.760 8.887 -5.381 1.00 0.00 H new ATOM 1794 N ALA A1024 6.478 8.664 -1.676 1.00 0.00 N ATOM 1795 CA ALA A1024 6.457 7.601 -0.681 1.00 0.00 C ATOM 1796 C ALA A1024 5.104 6.919 -0.706 1.00 0.00 C ATOM 1797 O ALA A1024 4.951 5.791 -0.262 1.00 0.00 O ATOM 1798 CB ALA A1024 6.766 8.146 0.705 1.00 0.00 C ATOM 0 H ALA A1024 6.341 9.601 -1.298 1.00 0.00 H new ATOM 0 HA ALA A1024 7.229 6.871 -0.923 1.00 0.00 H new ATOM 0 HB1 ALA A1024 6.744 7.332 1.429 1.00 0.00 H new ATOM 0 HB2 ALA A1024 7.755 8.604 0.704 1.00 0.00 H new ATOM 0 HB3 ALA A1024 6.021 8.893 0.977 1.00 0.00 H new ATOM 1804 N ALA A1025 4.116 7.637 -1.202 1.00 0.00 N ATOM 1805 CA ALA A1025 2.819 7.064 -1.500 1.00 0.00 C ATOM 1806 C ALA A1025 2.821 6.461 -2.904 1.00 0.00 C ATOM 1807 O ALA A1025 1.996 5.608 -3.201 1.00 0.00 O ATOM 1808 CB ALA A1025 1.703 8.073 -1.304 1.00 0.00 C ATOM 0 H ALA A1025 4.190 8.633 -1.410 1.00 0.00 H new ATOM 0 HA ALA A1025 2.624 6.258 -0.793 1.00 0.00 H new ATOM 0 HB1 ALA A1025 0.746 7.607 -1.537 1.00 0.00 H new ATOM 0 HB2 ALA A1025 1.698 8.414 -0.269 1.00 0.00 H new ATOM 0 HB3 ALA A1025 1.862 8.925 -1.965 1.00 0.00 H new ATOM 1814 N HIS A1026 3.719 6.902 -3.780 1.00 0.00 N ATOM 1815 CA HIS A1026 3.977 6.152 -5.010 1.00 0.00 C ATOM 1816 C HIS A1026 4.830 4.943 -4.673 1.00 0.00 C ATOM 1817 O HIS A1026 4.795 3.949 -5.369 1.00 0.00 O ATOM 1818 CB HIS A1026 4.639 7.010 -6.097 1.00 0.00 C ATOM 1819 CG HIS A1026 4.808 6.307 -7.414 1.00 0.00 C ATOM 1820 ND1 HIS A1026 3.751 5.968 -8.233 1.00 0.00 N ATOM 1821 CD2 HIS A1026 5.922 5.880 -8.051 1.00 0.00 C ATOM 1822 CE1 HIS A1026 4.211 5.365 -9.311 1.00 0.00 C ATOM 1823 NE2 HIS A1026 5.526 5.299 -9.231 1.00 0.00 N ATOM 0 H HIS A1026 4.270 7.753 -3.669 1.00 0.00 H new ATOM 0 HA HIS A1026 3.021 5.831 -5.424 1.00 0.00 H new ATOM 0 HB2 HIS A1026 4.041 7.908 -6.251 1.00 0.00 H new ATOM 0 HB3 HIS A1026 5.617 7.335 -5.743 1.00 0.00 H new ATOM 0 HD2 HIS A1026 6.937 5.978 -7.697 1.00 0.00 H new ATOM 0 HE1 HIS A1026 3.610 4.987 -10.125 1.00 0.00 H new ATOM 0 HE2 HIS A1026 6.145 4.886 -9.928 1.00 0.00 H new ATOM 1832 N ALA A1027 5.573 5.047 -3.588 1.00 0.00 N ATOM 1833 CA ALA A1027 6.179 3.906 -2.906 1.00 0.00 C ATOM 1834 C ALA A1027 5.106 3.066 -2.253 1.00 0.00 C ATOM 1835 O ALA A1027 5.171 1.847 -2.314 1.00 0.00 O ATOM 1836 CB ALA A1027 7.164 4.394 -1.859 1.00 0.00 C ATOM 0 H ALA A1027 5.780 5.941 -3.143 1.00 0.00 H new ATOM 0 HA ALA A1027 6.710 3.296 -3.637 1.00 0.00 H new ATOM 0 HB1 ALA A1027 7.612 3.538 -1.354 1.00 0.00 H new ATOM 0 HB2 ALA A1027 7.946 4.981 -2.341 1.00 0.00 H new ATOM 0 HB3 ALA A1027 6.642 5.013 -1.129 1.00 0.00 H new ATOM 1842 N LEU A1028 4.119 3.686 -1.646 1.00 0.00 N ATOM 1843 CA LEU A1028 2.964 2.938 -1.196 1.00 0.00 C ATOM 1844 C LEU A1028 2.299 2.279 -2.389 1.00 0.00 C ATOM 1845 O LEU A1028 1.971 1.112 -2.337 1.00 0.00 O ATOM 1846 CB LEU A1028 1.977 3.825 -0.443 1.00 0.00 C ATOM 1847 CG LEU A1028 2.461 4.330 0.911 1.00 0.00 C ATOM 1848 CD1 LEU A1028 1.294 4.908 1.681 1.00 0.00 C ATOM 1849 CD2 LEU A1028 3.108 3.200 1.685 1.00 0.00 C ATOM 0 H LEU A1028 4.090 4.687 -1.454 1.00 0.00 H new ATOM 0 HA LEU A1028 3.297 2.170 -0.497 1.00 0.00 H new ATOM 0 HB2 LEU A1028 1.735 4.685 -1.068 1.00 0.00 H new ATOM 0 HB3 LEU A1028 1.052 3.268 -0.296 1.00 0.00 H new ATOM 0 HG LEU A1028 3.206 5.112 0.763 1.00 0.00 H new ATOM 0 HD11 LEU A1028 1.640 5.269 2.649 1.00 0.00 H new ATOM 0 HD12 LEU A1028 0.861 5.735 1.119 1.00 0.00 H new ATOM 0 HD13 LEU A1028 0.539 4.136 1.830 1.00 0.00 H new ATOM 0 HD21 LEU A1028 3.451 3.570 2.651 1.00 0.00 H new ATOM 0 HD22 LEU A1028 2.382 2.402 1.839 1.00 0.00 H new ATOM 0 HD23 LEU A1028 3.958 2.813 1.122 1.00 0.00 H new ATOM 1861 N ALA A1029 2.123 3.024 -3.467 1.00 0.00 N ATOM 1862 CA ALA A1029 1.626 2.459 -4.714 1.00 0.00 C ATOM 1863 C ALA A1029 2.522 1.325 -5.204 1.00 0.00 C ATOM 1864 O ALA A1029 2.030 0.285 -5.632 1.00 0.00 O ATOM 1865 CB ALA A1029 1.514 3.539 -5.781 1.00 0.00 C ATOM 0 H ALA A1029 2.317 4.025 -3.506 1.00 0.00 H new ATOM 0 HA ALA A1029 0.635 2.048 -4.522 1.00 0.00 H new ATOM 0 HB1 ALA A1029 1.141 3.099 -6.706 1.00 0.00 H new ATOM 0 HB2 ALA A1029 0.825 4.313 -5.444 1.00 0.00 H new ATOM 0 HB3 ALA A1029 2.496 3.979 -5.958 1.00 0.00 H new ATOM 1871 N VAL A1030 3.838 1.525 -5.122 1.00 0.00 N ATOM 1872 CA VAL A1030 4.788 0.534 -5.603 1.00 0.00 C ATOM 1873 C VAL A1030 4.736 -0.720 -4.744 1.00 0.00 C ATOM 1874 O VAL A1030 4.587 -1.833 -5.238 1.00 0.00 O ATOM 1875 CB VAL A1030 6.238 1.092 -5.586 1.00 0.00 C ATOM 1876 CG1 VAL A1030 7.265 -0.033 -5.628 1.00 0.00 C ATOM 1877 CG2 VAL A1030 6.465 2.027 -6.762 1.00 0.00 C ATOM 0 H VAL A1030 4.265 2.363 -4.727 1.00 0.00 H new ATOM 0 HA VAL A1030 4.510 0.290 -6.628 1.00 0.00 H new ATOM 0 HB VAL A1030 6.364 1.644 -4.655 1.00 0.00 H new ATOM 0 HG11 VAL A1030 8.269 0.390 -5.615 1.00 0.00 H new ATOM 0 HG12 VAL A1030 7.132 -0.679 -4.760 1.00 0.00 H new ATOM 0 HG13 VAL A1030 7.129 -0.616 -6.539 1.00 0.00 H new ATOM 0 HG21 VAL A1030 7.486 2.407 -6.733 1.00 0.00 H new ATOM 0 HG22 VAL A1030 6.307 1.484 -7.694 1.00 0.00 H new ATOM 0 HG23 VAL A1030 5.765 2.861 -6.704 1.00 0.00 H new ATOM 1887 N ASP A1031 4.860 -0.506 -3.442 1.00 0.00 N ATOM 1888 CA ASP A1031 4.950 -1.591 -2.487 1.00 0.00 C ATOM 1889 C ASP A1031 3.596 -2.225 -2.208 1.00 0.00 C ATOM 1890 O ASP A1031 3.528 -3.390 -1.866 1.00 0.00 O ATOM 1891 CB ASP A1031 5.635 -1.133 -1.201 1.00 0.00 C ATOM 1892 CG ASP A1031 7.124 -0.909 -1.414 1.00 0.00 C ATOM 1893 OD1 ASP A1031 7.833 -1.882 -1.753 1.00 0.00 O ATOM 1894 OD2 ASP A1031 7.588 0.239 -1.275 1.00 0.00 O ATOM 0 H ASP A1031 4.901 0.423 -3.023 1.00 0.00 H new ATOM 0 HA ASP A1031 5.569 -2.367 -2.937 1.00 0.00 H new ATOM 0 HB2 ASP A1031 5.173 -0.210 -0.850 1.00 0.00 H new ATOM 0 HB3 ASP A1031 5.486 -1.880 -0.422 1.00 0.00 H new ATOM 1899 N ALA A1032 2.519 -1.458 -2.315 1.00 0.00 N ATOM 1900 CA ALA A1032 1.176 -2.035 -2.258 1.00 0.00 C ATOM 1901 C ALA A1032 0.897 -2.812 -3.536 1.00 0.00 C ATOM 1902 O ALA A1032 0.169 -3.802 -3.513 1.00 0.00 O ATOM 1903 CB ALA A1032 0.097 -0.997 -2.012 1.00 0.00 C ATOM 0 H ALA A1032 2.544 -0.446 -2.440 1.00 0.00 H new ATOM 0 HA ALA A1032 1.148 -2.712 -1.404 1.00 0.00 H new ATOM 0 HB1 ALA A1032 -0.877 -1.485 -1.980 1.00 0.00 H new ATOM 0 HB2 ALA A1032 0.283 -0.497 -1.062 1.00 0.00 H new ATOM 0 HB3 ALA A1032 0.108 -0.262 -2.817 1.00 0.00 H new ATOM 1909 N LYS A1033 1.494 -2.396 -4.639 1.00 0.00 N ATOM 1910 CA LYS A1033 1.486 -3.219 -5.836 1.00 0.00 C ATOM 1911 C LYS A1033 2.285 -4.490 -5.575 1.00 0.00 C ATOM 1912 O LYS A1033 1.830 -5.604 -5.824 1.00 0.00 O ATOM 1913 CB LYS A1033 2.112 -2.478 -7.019 1.00 0.00 C ATOM 1914 CG LYS A1033 2.024 -3.269 -8.314 1.00 0.00 C ATOM 1915 CD LYS A1033 2.687 -2.554 -9.477 1.00 0.00 C ATOM 1916 CE LYS A1033 2.584 -3.380 -10.746 1.00 0.00 C ATOM 1917 NZ LYS A1033 3.285 -2.746 -11.890 1.00 0.00 N ATOM 0 H LYS A1033 1.984 -1.506 -4.731 1.00 0.00 H new ATOM 0 HA LYS A1033 0.451 -3.458 -6.081 1.00 0.00 H new ATOM 0 HB2 LYS A1033 1.611 -1.518 -7.148 1.00 0.00 H new ATOM 0 HB3 LYS A1033 3.158 -2.265 -6.798 1.00 0.00 H new ATOM 0 HG2 LYS A1033 2.494 -4.242 -8.174 1.00 0.00 H new ATOM 0 HG3 LYS A1033 0.977 -3.452 -8.554 1.00 0.00 H new ATOM 0 HD2 LYS A1033 2.215 -1.583 -9.630 1.00 0.00 H new ATOM 0 HD3 LYS A1033 3.735 -2.366 -9.244 1.00 0.00 H new ATOM 0 HE2 LYS A1033 3.005 -4.369 -10.568 1.00 0.00 H new ATOM 0 HE3 LYS A1033 1.534 -3.522 -11.000 1.00 0.00 H new ATOM 0 HZ1 LYS A1033 3.187 -3.347 -12.733 1.00 0.00 H new ATOM 0 HZ2 LYS A1033 2.867 -1.813 -12.079 1.00 0.00 H new ATOM 0 HZ3 LYS A1033 4.293 -2.634 -11.660 1.00 0.00 H new ATOM 1931 N ASN A1034 3.485 -4.284 -5.039 1.00 0.00 N ATOM 1932 CA ASN A1034 4.452 -5.348 -4.810 1.00 0.00 C ATOM 1933 C ASN A1034 4.018 -6.314 -3.718 1.00 0.00 C ATOM 1934 O ASN A1034 4.158 -7.509 -3.884 1.00 0.00 O ATOM 1935 CB ASN A1034 5.816 -4.746 -4.457 1.00 0.00 C ATOM 1936 CG ASN A1034 6.843 -5.794 -4.067 1.00 0.00 C ATOM 1937 OD1 ASN A1034 7.464 -6.424 -4.925 1.00 0.00 O ATOM 1938 ND2 ASN A1034 7.056 -5.961 -2.769 1.00 0.00 N ATOM 0 H ASN A1034 3.815 -3.363 -4.749 1.00 0.00 H new ATOM 0 HA ASN A1034 4.521 -5.920 -5.735 1.00 0.00 H new ATOM 0 HB2 ASN A1034 6.189 -4.179 -5.310 1.00 0.00 H new ATOM 0 HB3 ASN A1034 5.694 -4.041 -3.635 1.00 0.00 H new ATOM 0 HD21 ASN A1034 7.755 -6.631 -2.449 1.00 0.00 H new ATOM 0 HD22 ASN A1034 6.520 -5.420 -2.090 1.00 0.00 H new ATOM 1945 N LEU A1035 3.512 -5.806 -2.600 1.00 0.00 N ATOM 1946 CA LEU A1035 3.141 -6.668 -1.485 1.00 0.00 C ATOM 1947 C LEU A1035 1.994 -7.589 -1.893 1.00 0.00 C ATOM 1948 O LEU A1035 1.974 -8.750 -1.484 1.00 0.00 O ATOM 1949 CB LEU A1035 2.804 -5.866 -0.207 1.00 0.00 C ATOM 1950 CG LEU A1035 1.317 -5.798 0.195 1.00 0.00 C ATOM 1951 CD1 LEU A1035 1.169 -5.340 1.636 1.00 0.00 C ATOM 1952 CD2 LEU A1035 0.548 -4.853 -0.706 1.00 0.00 C ATOM 0 H LEU A1035 3.351 -4.811 -2.442 1.00 0.00 H new ATOM 0 HA LEU A1035 4.007 -7.282 -1.236 1.00 0.00 H new ATOM 0 HB2 LEU A1035 3.362 -6.299 0.623 1.00 0.00 H new ATOM 0 HB3 LEU A1035 3.168 -4.847 -0.339 1.00 0.00 H new ATOM 0 HG LEU A1035 0.907 -6.802 0.089 1.00 0.00 H new ATOM 0 HD11 LEU A1035 0.112 -5.299 1.898 1.00 0.00 H new ATOM 0 HD12 LEU A1035 1.679 -6.042 2.295 1.00 0.00 H new ATOM 0 HD13 LEU A1035 1.609 -4.349 1.750 1.00 0.00 H new ATOM 0 HD21 LEU A1035 -0.497 -4.826 -0.398 1.00 0.00 H new ATOM 0 HD22 LEU A1035 0.974 -3.852 -0.632 1.00 0.00 H new ATOM 0 HD23 LEU A1035 0.613 -5.200 -1.737 1.00 0.00 H new ATOM 1964 N LEU A1036 1.038 -7.103 -2.690 1.00 0.00 N ATOM 1965 CA LEU A1036 -0.022 -8.014 -3.090 1.00 0.00 C ATOM 1966 C LEU A1036 0.542 -9.019 -4.094 1.00 0.00 C ATOM 1967 O LEU A1036 0.260 -10.209 -4.032 1.00 0.00 O ATOM 1968 CB LEU A1036 -1.261 -7.272 -3.621 1.00 0.00 C ATOM 1969 CG LEU A1036 -1.109 -6.542 -4.964 1.00 0.00 C ATOM 1970 CD1 LEU A1036 -1.392 -7.474 -6.137 1.00 0.00 C ATOM 1971 CD2 LEU A1036 -2.033 -5.341 -5.020 1.00 0.00 C ATOM 0 H LEU A1036 0.978 -6.150 -3.048 1.00 0.00 H new ATOM 0 HA LEU A1036 -0.375 -8.558 -2.214 1.00 0.00 H new ATOM 0 HB2 LEU A1036 -2.073 -7.992 -3.716 1.00 0.00 H new ATOM 0 HB3 LEU A1036 -1.568 -6.543 -2.871 1.00 0.00 H new ATOM 0 HG LEU A1036 -0.076 -6.202 -5.043 1.00 0.00 H new ATOM 0 HD11 LEU A1036 -1.276 -6.927 -7.073 1.00 0.00 H new ATOM 0 HD12 LEU A1036 -0.692 -8.309 -6.116 1.00 0.00 H new ATOM 0 HD13 LEU A1036 -2.411 -7.853 -6.063 1.00 0.00 H new ATOM 0 HD21 LEU A1036 -1.914 -4.834 -5.978 1.00 0.00 H new ATOM 0 HD22 LEU A1036 -3.066 -5.671 -4.911 1.00 0.00 H new ATOM 0 HD23 LEU A1036 -1.785 -4.653 -4.212 1.00 0.00 H new ATOM 1983 N ASP A1037 1.366 -8.485 -5.003 1.00 0.00 N ATOM 1984 CA ASP A1037 2.152 -9.262 -5.967 1.00 0.00 C ATOM 1985 C ASP A1037 2.908 -10.375 -5.251 1.00 0.00 C ATOM 1986 O ASP A1037 2.924 -11.528 -5.677 1.00 0.00 O ATOM 1987 CB ASP A1037 3.140 -8.300 -6.646 1.00 0.00 C ATOM 1988 CG ASP A1037 4.110 -8.964 -7.603 1.00 0.00 C ATOM 1989 OD1 ASP A1037 5.133 -9.510 -7.138 1.00 0.00 O ATOM 1990 OD2 ASP A1037 3.885 -8.888 -8.829 1.00 0.00 O ATOM 0 H ASP A1037 1.508 -7.479 -5.090 1.00 0.00 H new ATOM 0 HA ASP A1037 1.499 -9.722 -6.709 1.00 0.00 H new ATOM 0 HB2 ASP A1037 2.574 -7.543 -7.190 1.00 0.00 H new ATOM 0 HB3 ASP A1037 3.709 -7.780 -5.875 1.00 0.00 H new ATOM 1995 N VAL A1038 3.527 -9.983 -4.150 1.00 0.00 N ATOM 1996 CA VAL A1038 4.222 -10.882 -3.244 1.00 0.00 C ATOM 1997 C VAL A1038 3.324 -12.014 -2.772 1.00 0.00 C ATOM 1998 O VAL A1038 3.741 -13.156 -2.822 1.00 0.00 O ATOM 1999 CB VAL A1038 4.806 -10.108 -2.033 1.00 0.00 C ATOM 2000 CG1 VAL A1038 5.135 -11.037 -0.877 1.00 0.00 C ATOM 2001 CG2 VAL A1038 6.055 -9.346 -2.447 1.00 0.00 C ATOM 0 H VAL A1038 3.561 -9.007 -3.854 1.00 0.00 H new ATOM 0 HA VAL A1038 5.047 -11.326 -3.801 1.00 0.00 H new ATOM 0 HB VAL A1038 4.043 -9.406 -1.697 1.00 0.00 H new ATOM 0 HG11 VAL A1038 5.541 -10.457 -0.048 1.00 0.00 H new ATOM 0 HG12 VAL A1038 4.229 -11.548 -0.552 1.00 0.00 H new ATOM 0 HG13 VAL A1038 5.871 -11.773 -1.200 1.00 0.00 H new ATOM 0 HG21 VAL A1038 6.454 -8.807 -1.588 1.00 0.00 H new ATOM 0 HG22 VAL A1038 6.804 -10.047 -2.816 1.00 0.00 H new ATOM 0 HG23 VAL A1038 5.804 -8.636 -3.235 1.00 0.00 H new ATOM 2011 N ILE A1039 2.105 -11.724 -2.342 1.00 0.00 N ATOM 2012 CA ILE A1039 1.205 -12.786 -1.893 1.00 0.00 C ATOM 2013 C ILE A1039 0.582 -13.534 -3.055 1.00 0.00 C ATOM 2014 O ILE A1039 0.395 -14.749 -2.991 1.00 0.00 O ATOM 2015 CB ILE A1039 0.124 -12.276 -0.921 1.00 0.00 C ATOM 2016 CG1 ILE A1039 0.704 -12.292 0.476 1.00 0.00 C ATOM 2017 CG2 ILE A1039 -1.155 -13.108 -0.980 1.00 0.00 C ATOM 2018 CD1 ILE A1039 1.584 -11.103 0.780 1.00 0.00 C ATOM 0 H ILE A1039 1.718 -10.782 -2.293 1.00 0.00 H new ATOM 0 HA ILE A1039 1.826 -13.490 -1.340 1.00 0.00 H new ATOM 0 HB ILE A1039 -0.159 -11.264 -1.211 1.00 0.00 H new ATOM 0 HG12 ILE A1039 -0.112 -12.324 1.198 1.00 0.00 H new ATOM 0 HG13 ILE A1039 1.283 -13.206 0.609 1.00 0.00 H new ATOM 0 HG21 ILE A1039 -1.883 -12.706 -0.276 1.00 0.00 H new ATOM 0 HG22 ILE A1039 -1.567 -13.071 -1.989 1.00 0.00 H new ATOM 0 HG23 ILE A1039 -0.929 -14.142 -0.718 1.00 0.00 H new ATOM 0 HD11 ILE A1039 1.964 -11.183 1.799 1.00 0.00 H new ATOM 0 HD12 ILE A1039 2.420 -11.081 0.081 1.00 0.00 H new ATOM 0 HD13 ILE A1039 1.004 -10.186 0.680 1.00 0.00 H new ATOM 2030 N ASP A1040 0.293 -12.832 -4.115 1.00 0.00 N ATOM 2031 CA ASP A1040 -0.183 -13.463 -5.323 1.00 0.00 C ATOM 2032 C ASP A1040 0.835 -14.470 -5.846 1.00 0.00 C ATOM 2033 O ASP A1040 0.483 -15.598 -6.194 1.00 0.00 O ATOM 2034 CB ASP A1040 -0.492 -12.408 -6.368 1.00 0.00 C ATOM 2035 CG ASP A1040 -1.945 -11.990 -6.317 1.00 0.00 C ATOM 2036 OD1 ASP A1040 -2.812 -12.857 -6.563 1.00 0.00 O ATOM 2037 OD2 ASP A1040 -2.227 -10.818 -6.029 1.00 0.00 O ATOM 0 H ASP A1040 0.378 -11.817 -4.171 1.00 0.00 H new ATOM 0 HA ASP A1040 -1.100 -14.008 -5.098 1.00 0.00 H new ATOM 0 HB2 ASP A1040 0.144 -11.538 -6.208 1.00 0.00 H new ATOM 0 HB3 ASP A1040 -0.258 -12.796 -7.359 1.00 0.00 H new ATOM 2042 N GLN A1041 2.093 -14.077 -5.884 1.00 0.00 N ATOM 2043 CA GLN A1041 3.146 -14.962 -6.282 1.00 0.00 C ATOM 2044 C GLN A1041 3.484 -15.908 -5.123 1.00 0.00 C ATOM 2045 O GLN A1041 3.959 -17.012 -5.335 1.00 0.00 O ATOM 2046 CB GLN A1041 4.342 -14.130 -6.729 1.00 0.00 C ATOM 2047 CG GLN A1041 5.599 -14.524 -6.037 1.00 0.00 C ATOM 2048 CD GLN A1041 6.288 -13.360 -5.354 1.00 0.00 C ATOM 2049 OE1 GLN A1041 6.081 -12.159 -5.876 1.00 0.00 O flip ATOM 2050 NE2 GLN A1041 6.990 -13.541 -4.358 1.00 0.00 N flip ATOM 0 H GLN A1041 2.403 -13.137 -5.639 1.00 0.00 H new ATOM 0 HA GLN A1041 2.839 -15.584 -7.123 1.00 0.00 H new ATOM 0 HB2 GLN A1041 4.474 -14.238 -7.806 1.00 0.00 H new ATOM 0 HB3 GLN A1041 4.140 -13.076 -6.537 1.00 0.00 H new ATOM 0 HG2 GLN A1041 5.374 -15.292 -5.296 1.00 0.00 H new ATOM 0 HG3 GLN A1041 6.282 -14.969 -6.761 1.00 0.00 H new ATOM 0 HE21 GLN A1041 7.121 -14.484 -3.991 1.00 0.00 H new ATOM 0 HE22 GLN A1041 7.440 -12.748 -3.900 1.00 0.00 H new ATOM 2059 N ALA A1042 3.220 -15.454 -3.896 1.00 0.00 N ATOM 2060 CA ALA A1042 3.402 -16.263 -2.691 1.00 0.00 C ATOM 2061 C ALA A1042 2.663 -17.571 -2.779 1.00 0.00 C ATOM 2062 O ALA A1042 3.226 -18.625 -2.498 1.00 0.00 O ATOM 2063 CB ALA A1042 2.896 -15.523 -1.466 1.00 0.00 C ATOM 0 H ALA A1042 2.873 -14.513 -3.711 1.00 0.00 H new ATOM 0 HA ALA A1042 4.471 -16.456 -2.606 1.00 0.00 H new ATOM 0 HB1 ALA A1042 3.041 -16.143 -0.581 1.00 0.00 H new ATOM 0 HB2 ALA A1042 3.448 -14.590 -1.350 1.00 0.00 H new ATOM 0 HB3 ALA A1042 1.835 -15.304 -1.586 1.00 0.00 H new ATOM 2069 N ARG A1043 1.402 -17.506 -3.166 1.00 0.00 N ATOM 2070 CA ARG A1043 0.597 -18.702 -3.239 1.00 0.00 C ATOM 2071 C ARG A1043 1.067 -19.570 -4.404 1.00 0.00 C ATOM 2072 O ARG A1043 1.165 -20.788 -4.284 1.00 0.00 O ATOM 2073 CB ARG A1043 -0.896 -18.361 -3.358 1.00 0.00 C ATOM 2074 CG ARG A1043 -1.179 -17.019 -4.013 1.00 0.00 C ATOM 2075 CD ARG A1043 -2.646 -16.627 -3.843 1.00 0.00 C ATOM 2076 NE ARG A1043 -2.917 -15.236 -4.224 1.00 0.00 N ATOM 2077 CZ ARG A1043 -4.012 -14.559 -3.849 1.00 0.00 C ATOM 2078 NH1 ARG A1043 -5.003 -15.184 -3.227 1.00 0.00 N ATOM 2079 NH2 ARG A1043 -4.148 -13.275 -4.156 1.00 0.00 N ATOM 0 H ARG A1043 0.921 -16.646 -3.431 1.00 0.00 H new ATOM 0 HA ARG A1043 0.722 -19.266 -2.315 1.00 0.00 H new ATOM 0 HB2 ARG A1043 -1.391 -19.144 -3.932 1.00 0.00 H new ATOM 0 HB3 ARG A1043 -1.339 -18.367 -2.362 1.00 0.00 H new ATOM 0 HG2 ARG A1043 -0.541 -16.253 -3.573 1.00 0.00 H new ATOM 0 HG3 ARG A1043 -0.932 -17.068 -5.074 1.00 0.00 H new ATOM 0 HD2 ARG A1043 -3.266 -17.290 -4.447 1.00 0.00 H new ATOM 0 HD3 ARG A1043 -2.938 -16.776 -2.803 1.00 0.00 H new ATOM 0 HE ARG A1043 -2.232 -14.756 -4.808 1.00 0.00 H new ATOM 0 HH11 ARG A1043 -4.934 -16.183 -3.032 1.00 0.00 H new ATOM 0 HH12 ARG A1043 -5.834 -14.666 -2.943 1.00 0.00 H new ATOM 0 HH21 ARG A1043 -3.416 -12.796 -4.681 1.00 0.00 H new ATOM 0 HH22 ARG A1043 -4.984 -12.767 -3.867 1.00 0.00 H new ATOM 2093 N LEU A1044 1.387 -18.918 -5.520 1.00 0.00 N ATOM 2094 CA LEU A1044 1.982 -19.591 -6.674 1.00 0.00 C ATOM 2095 C LEU A1044 3.277 -20.300 -6.289 1.00 0.00 C ATOM 2096 O LEU A1044 3.483 -21.456 -6.623 1.00 0.00 O ATOM 2097 CB LEU A1044 2.266 -18.570 -7.783 1.00 0.00 C ATOM 2098 CG LEU A1044 3.319 -18.988 -8.823 1.00 0.00 C ATOM 2099 CD1 LEU A1044 2.844 -20.173 -9.648 1.00 0.00 C ATOM 2100 CD2 LEU A1044 3.669 -17.817 -9.726 1.00 0.00 C ATOM 0 H LEU A1044 1.243 -17.917 -5.650 1.00 0.00 H new ATOM 0 HA LEU A1044 1.274 -20.338 -7.034 1.00 0.00 H new ATOM 0 HB2 LEU A1044 1.332 -18.358 -8.304 1.00 0.00 H new ATOM 0 HB3 LEU A1044 2.591 -17.639 -7.319 1.00 0.00 H new ATOM 0 HG LEU A1044 4.215 -19.295 -8.284 1.00 0.00 H new ATOM 0 HD11 LEU A1044 3.612 -20.443 -10.373 1.00 0.00 H new ATOM 0 HD12 LEU A1044 2.652 -21.021 -8.990 1.00 0.00 H new ATOM 0 HD13 LEU A1044 1.927 -19.907 -10.173 1.00 0.00 H new ATOM 0 HD21 LEU A1044 4.415 -18.131 -10.456 1.00 0.00 H new ATOM 0 HD22 LEU A1044 2.773 -17.478 -10.246 1.00 0.00 H new ATOM 0 HD23 LEU A1044 4.070 -17.001 -9.125 1.00 0.00 H new ATOM 2112 N LYS A1045 4.125 -19.595 -5.569 1.00 0.00 N ATOM 2113 CA LYS A1045 5.433 -20.061 -5.200 1.00 0.00 C ATOM 2114 C LYS A1045 5.309 -21.151 -4.151 1.00 0.00 C ATOM 2115 O LYS A1045 6.079 -22.111 -4.157 1.00 0.00 O ATOM 2116 CB LYS A1045 6.228 -18.865 -4.676 1.00 0.00 C ATOM 2117 CG LYS A1045 7.733 -18.991 -4.800 1.00 0.00 C ATOM 2118 CD LYS A1045 8.275 -20.025 -3.848 1.00 0.00 C ATOM 2119 CE LYS A1045 9.572 -19.553 -3.212 1.00 0.00 C ATOM 2120 NZ LYS A1045 10.273 -20.636 -2.471 1.00 0.00 N ATOM 0 H LYS A1045 3.913 -18.661 -5.219 1.00 0.00 H new ATOM 0 HA LYS A1045 5.953 -20.489 -6.057 1.00 0.00 H new ATOM 0 HB2 LYS A1045 5.908 -17.972 -5.213 1.00 0.00 H new ATOM 0 HB3 LYS A1045 5.977 -18.713 -3.626 1.00 0.00 H new ATOM 0 HG2 LYS A1045 7.994 -19.262 -5.823 1.00 0.00 H new ATOM 0 HG3 LYS A1045 8.199 -18.027 -4.597 1.00 0.00 H new ATOM 0 HD2 LYS A1045 7.539 -20.231 -3.071 1.00 0.00 H new ATOM 0 HD3 LYS A1045 8.446 -20.961 -4.381 1.00 0.00 H new ATOM 0 HE2 LYS A1045 10.231 -19.162 -3.987 1.00 0.00 H new ATOM 0 HE3 LYS A1045 9.359 -18.730 -2.530 1.00 0.00 H new ATOM 0 HZ1 LYS A1045 10.824 -20.223 -1.692 1.00 0.00 H new ATOM 0 HZ2 LYS A1045 9.573 -21.302 -2.085 1.00 0.00 H new ATOM 0 HZ3 LYS A1045 10.912 -21.142 -3.117 1.00 0.00 H new ATOM 2134 N MET A1046 4.335 -21.022 -3.261 1.00 0.00 N ATOM 2135 CA MET A1046 4.094 -22.068 -2.289 1.00 0.00 C ATOM 2136 C MET A1046 3.654 -23.365 -2.975 1.00 0.00 C ATOM 2137 O MET A1046 4.033 -24.457 -2.553 1.00 0.00 O ATOM 2138 CB MET A1046 3.053 -21.611 -1.280 1.00 0.00 C ATOM 2139 CG MET A1046 3.544 -21.646 0.132 1.00 0.00 C ATOM 2140 SD MET A1046 3.823 -23.325 0.732 1.00 0.00 S ATOM 2141 CE MET A1046 2.185 -24.030 0.554 1.00 0.00 C ATOM 0 H MET A1046 3.711 -20.217 -3.195 1.00 0.00 H new ATOM 0 HA MET A1046 5.026 -22.272 -1.762 1.00 0.00 H new ATOM 0 HB2 MET A1046 2.741 -20.595 -1.524 1.00 0.00 H new ATOM 0 HB3 MET A1046 2.170 -22.245 -1.366 1.00 0.00 H new ATOM 0 HG2 MET A1046 4.473 -21.080 0.203 1.00 0.00 H new ATOM 0 HG3 MET A1046 2.818 -21.150 0.777 1.00 0.00 H new ATOM 0 HE1 MET A1046 2.085 -24.890 1.216 1.00 0.00 H new ATOM 0 HE2 MET A1046 1.437 -23.282 0.815 1.00 0.00 H new ATOM 0 HE3 MET A1046 2.036 -24.348 -0.478 1.00 0.00 H new ATOM 2151 N ILE A1047 2.881 -23.243 -4.048 1.00 0.00 N ATOM 2152 CA ILE A1047 2.408 -24.403 -4.795 1.00 0.00 C ATOM 2153 C ILE A1047 3.468 -24.899 -5.781 1.00 0.00 C ATOM 2154 O ILE A1047 3.698 -26.104 -5.899 1.00 0.00 O ATOM 2155 CB ILE A1047 1.112 -24.065 -5.567 1.00 0.00 C ATOM 2156 CG1 ILE A1047 0.012 -23.625 -4.598 1.00 0.00 C ATOM 2157 CG2 ILE A1047 0.643 -25.254 -6.392 1.00 0.00 C ATOM 2158 CD1 ILE A1047 -0.349 -24.669 -3.557 1.00 0.00 C ATOM 0 H ILE A1047 2.567 -22.347 -4.422 1.00 0.00 H new ATOM 0 HA ILE A1047 2.204 -25.193 -4.072 1.00 0.00 H new ATOM 0 HB ILE A1047 1.330 -23.242 -6.248 1.00 0.00 H new ATOM 0 HG12 ILE A1047 0.333 -22.716 -4.089 1.00 0.00 H new ATOM 0 HG13 ILE A1047 -0.881 -23.373 -5.169 1.00 0.00 H new ATOM 0 HG21 ILE A1047 -0.270 -24.989 -6.925 1.00 0.00 H new ATOM 0 HG22 ILE A1047 1.416 -25.526 -7.110 1.00 0.00 H new ATOM 0 HG23 ILE A1047 0.446 -26.099 -5.733 1.00 0.00 H new ATOM 0 HD11 ILE A1047 -1.135 -24.281 -2.910 1.00 0.00 H new ATOM 0 HD12 ILE A1047 -0.702 -25.572 -4.055 1.00 0.00 H new ATOM 0 HD13 ILE A1047 0.531 -24.905 -2.958 1.00 0.00 H new ATOM 2170 N SER A1048 4.111 -23.970 -6.482 1.00 0.00 N ATOM 2171 CA SER A1048 5.096 -24.318 -7.502 1.00 0.00 C ATOM 2172 C SER A1048 6.313 -25.005 -6.889 1.00 0.00 C ATOM 2173 O SER A1048 6.949 -25.845 -7.529 1.00 0.00 O ATOM 2174 CB SER A1048 5.511 -23.070 -8.294 1.00 0.00 C ATOM 2175 OG SER A1048 6.566 -23.342 -9.203 1.00 0.00 O ATOM 0 H SER A1048 3.967 -22.967 -6.362 1.00 0.00 H new ATOM 0 HA SER A1048 4.633 -25.026 -8.190 1.00 0.00 H new ATOM 0 HB2 SER A1048 4.651 -22.686 -8.842 1.00 0.00 H new ATOM 0 HB3 SER A1048 5.822 -22.288 -7.601 1.00 0.00 H new ATOM 0 HG SER A1048 6.799 -22.523 -9.688 1.00 0.00 H new ATOM 2181 N GLN A1049 6.630 -24.667 -5.651 1.00 0.00 N ATOM 2182 CA GLN A1049 7.733 -25.314 -4.964 1.00 0.00 C ATOM 2183 C GLN A1049 7.312 -26.655 -4.380 1.00 0.00 C ATOM 2184 O GLN A1049 7.293 -27.666 -5.081 1.00 0.00 O ATOM 2185 CB GLN A1049 8.308 -24.415 -3.870 1.00 0.00 C ATOM 2186 CG GLN A1049 9.325 -23.421 -4.389 1.00 0.00 C ATOM 2187 CD GLN A1049 10.510 -24.105 -5.039 1.00 0.00 C ATOM 2188 OE1 GLN A1049 10.888 -25.214 -4.658 1.00 0.00 O ATOM 2189 NE2 GLN A1049 11.093 -23.458 -6.029 1.00 0.00 N ATOM 0 H GLN A1049 6.144 -23.955 -5.106 1.00 0.00 H new ATOM 0 HA GLN A1049 8.513 -25.495 -5.704 1.00 0.00 H new ATOM 0 HB2 GLN A1049 7.494 -23.874 -3.388 1.00 0.00 H new ATOM 0 HB3 GLN A1049 8.774 -25.037 -3.106 1.00 0.00 H new ATOM 0 HG2 GLN A1049 8.848 -22.759 -5.112 1.00 0.00 H new ATOM 0 HG3 GLN A1049 9.674 -22.797 -3.566 1.00 0.00 H new ATOM 0 HE21 GLN A1049 10.747 -22.541 -6.313 1.00 0.00 H new ATOM 0 HE22 GLN A1049 11.889 -23.874 -6.511 1.00 0.00 H new ATOM 2198 N SER A1050 6.948 -26.650 -3.107 1.00 0.00 N ATOM 2199 CA SER A1050 6.656 -27.878 -2.383 1.00 0.00 C ATOM 2200 C SER A1050 6.287 -27.549 -0.949 1.00 0.00 C ATOM 2201 O SER A1050 5.209 -27.911 -0.474 1.00 0.00 O ATOM 2202 CB SER A1050 7.874 -28.815 -2.405 1.00 0.00 C ATOM 2203 OG SER A1050 7.605 -30.035 -1.732 1.00 0.00 O ATOM 0 H SER A1050 6.847 -25.802 -2.550 1.00 0.00 H new ATOM 0 HA SER A1050 5.819 -28.381 -2.867 1.00 0.00 H new ATOM 0 HB2 SER A1050 8.156 -29.022 -3.437 1.00 0.00 H new ATOM 0 HB3 SER A1050 8.724 -28.319 -1.936 1.00 0.00 H new ATOM 0 HG SER A1050 8.399 -30.609 -1.766 1.00 0.00 H new ATOM 2209 N ARG A1051 7.183 -26.855 -0.258 1.00 0.00 N ATOM 2210 CA ARG A1051 6.950 -26.506 1.134 1.00 0.00 C ATOM 2211 C ARG A1051 7.330 -25.057 1.429 1.00 0.00 C ATOM 2212 O ARG A1051 6.463 -24.267 1.762 1.00 0.00 O ATOM 2213 CB ARG A1051 7.699 -27.451 2.082 1.00 0.00 C ATOM 2214 CG ARG A1051 7.248 -28.895 1.991 1.00 0.00 C ATOM 2215 CD ARG A1051 7.971 -29.768 3.001 1.00 0.00 C ATOM 2216 NE ARG A1051 9.420 -29.768 2.807 1.00 0.00 N ATOM 2217 CZ ARG A1051 10.263 -30.485 3.548 1.00 0.00 C ATOM 2218 NH1 ARG A1051 9.800 -31.271 4.513 1.00 0.00 N ATOM 2219 NH2 ARG A1051 11.569 -30.418 3.320 1.00 0.00 N ATOM 0 H ARG A1051 8.071 -26.526 -0.637 1.00 0.00 H new ATOM 0 HA ARG A1051 5.880 -26.617 1.308 1.00 0.00 H new ATOM 0 HB2 ARG A1051 8.766 -27.399 1.863 1.00 0.00 H new ATOM 0 HB3 ARG A1051 7.566 -27.103 3.106 1.00 0.00 H new ATOM 0 HG2 ARG A1051 6.173 -28.953 2.162 1.00 0.00 H new ATOM 0 HG3 ARG A1051 7.432 -29.272 0.985 1.00 0.00 H new ATOM 0 HD2 ARG A1051 7.743 -29.418 4.008 1.00 0.00 H new ATOM 0 HD3 ARG A1051 7.598 -30.789 2.926 1.00 0.00 H new ATOM 0 HE ARG A1051 9.807 -29.187 2.063 1.00 0.00 H new ATOM 0 HH11 ARG A1051 8.797 -31.327 4.688 1.00 0.00 H new ATOM 0 HH12 ARG A1051 10.448 -31.819 5.079 1.00 0.00 H new ATOM 0 HH21 ARG A1051 11.927 -29.817 2.577 1.00 0.00 H new ATOM 0 HH22 ARG A1051 12.215 -30.967 3.888 1.00 0.00 H new ATOM 2233 N PRO A1052 8.614 -24.667 1.309 1.00 0.00 N ATOM 2234 CA PRO A1052 9.057 -23.344 1.732 1.00 0.00 C ATOM 2235 C PRO A1052 8.940 -22.275 0.646 1.00 0.00 C ATOM 2236 O PRO A1052 9.253 -22.511 -0.527 1.00 0.00 O ATOM 2237 CB PRO A1052 10.521 -23.590 2.078 1.00 0.00 C ATOM 2238 CG PRO A1052 10.964 -24.656 1.130 1.00 0.00 C ATOM 2239 CD PRO A1052 9.737 -25.457 0.763 1.00 0.00 C ATOM 0 HA PRO A1052 8.446 -22.955 2.547 1.00 0.00 H new ATOM 0 HB2 PRO A1052 11.113 -22.683 1.958 1.00 0.00 H new ATOM 0 HB3 PRO A1052 10.634 -23.910 3.114 1.00 0.00 H new ATOM 0 HG2 PRO A1052 11.419 -24.218 0.242 1.00 0.00 H new ATOM 0 HG3 PRO A1052 11.717 -25.294 1.592 1.00 0.00 H new ATOM 0 HD2 PRO A1052 9.650 -25.580 -0.316 1.00 0.00 H new ATOM 0 HD3 PRO A1052 9.769 -26.457 1.197 1.00 0.00 H new ATOM 2247 N HIS A1053 8.483 -21.094 1.037 1.00 0.00 N ATOM 2248 CA HIS A1053 8.512 -19.948 0.149 1.00 0.00 C ATOM 2249 C HIS A1053 9.745 -19.117 0.466 1.00 0.00 C ATOM 2250 CB HIS A1053 7.244 -19.090 0.271 1.00 0.00 C ATOM 2251 CG HIS A1053 7.155 -17.992 -0.763 1.00 0.00 C ATOM 2252 ND1 HIS A1053 8.245 -17.250 -1.180 1.00 0.00 N ATOM 2253 CD2 HIS A1053 6.096 -17.513 -1.467 1.00 0.00 C ATOM 2254 CE1 HIS A1053 7.864 -16.373 -2.086 1.00 0.00 C ATOM 2255 NE2 HIS A1053 6.567 -16.506 -2.283 1.00 0.00 N ATOM 0 H HIS A1053 8.090 -20.908 1.960 1.00 0.00 H new ATOM 0 HA HIS A1053 8.551 -20.308 -0.879 1.00 0.00 H new ATOM 0 HB2 HIS A1053 6.369 -19.734 0.181 1.00 0.00 H new ATOM 0 HB3 HIS A1053 7.211 -18.645 1.265 1.00 0.00 H new ATOM 0 HD2 HIS A1053 5.075 -17.857 -1.400 1.00 0.00 H new ATOM 0 HE1 HIS A1053 8.507 -15.663 -2.585 1.00 0.00 H new ATOM 0 HE2 HIS A1053 6.005 -15.955 -2.932 1.00 0.00 H new TER 2264 HIS A1053