USER MOD reduce.3.24.130724 H: found=0, std=0, add=584, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 585 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 Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 HIS : no HD1:sc= -2.95! C(o=-3!,f=-5.7!) USER MOD Single : A 91 THR OG1 : rot -162:sc= -1.9! USER MOD Single : A 94 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 THR OG1 : rot 180:sc= -0.492 USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 HIS : no HD1:sc= -1.5 K(o=-1.5,f=-6.3!) USER MOD Single : A 124 ASN : amide:sc= -0.478 X(o=-0.48,f=-0.6) USER MOD Single : A 125 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 126 ASN : amide:sc= -0.454 K(o=-0.45,f=-2.4) USER MOD Single : A 128 SER OG : rot 159:sc= -0.642 USER MOD Single : A 134 THR OG1 : rot 180:sc= 0 USER MOD Single : A 138 ASN : amide:sc= 0 X(o=0,f=-0.041) USER MOD ----------------------------------------------------------------- ATOM 882 N ARG A 64 -6.667 -4.134 11.859 1.00 0.00 N ATOM 883 CA ARG A 64 -6.943 -4.405 10.443 1.00 0.00 C ATOM 884 C ARG A 64 -6.047 -3.560 9.519 1.00 0.00 C ATOM 885 O ARG A 64 -6.129 -3.675 8.291 1.00 0.00 O ATOM 886 CB ARG A 64 -8.423 -4.138 10.136 1.00 0.00 C ATOM 887 CG ARG A 64 -9.386 -5.137 10.769 1.00 0.00 C ATOM 888 CD ARG A 64 -10.840 -4.838 10.418 1.00 0.00 C ATOM 889 NE ARG A 64 -11.307 -3.565 10.987 1.00 0.00 N ATOM 890 CZ ARG A 64 -11.966 -2.618 10.303 1.00 0.00 C ATOM 891 NH1 ARG A 64 -12.253 -2.772 9.012 1.00 0.00 N ATOM 892 NH2 ARG A 64 -12.341 -1.506 10.922 1.00 0.00 N ATOM 0 HA ARG A 64 -6.718 -5.454 10.253 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -8.678 -3.136 10.481 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -8.565 -4.149 9.055 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -9.133 -6.144 10.436 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -9.265 -5.120 11.852 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -10.950 -4.810 9.334 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -11.472 -5.648 10.782 1.00 0.00 H new ATOM 0 HE ARG A 64 -11.116 -3.389 11.973 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -11.971 -3.623 8.525 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -12.755 -2.039 8.510 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -12.128 -1.376 11.911 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -12.843 -0.781 10.409 1.00 0.00 H new ATOM 906 N VAL A 65 -5.185 -2.724 10.120 1.00 0.00 N ATOM 907 CA VAL A 65 -4.269 -1.859 9.362 1.00 0.00 C ATOM 908 C VAL A 65 -2.835 -2.393 9.485 1.00 0.00 C ATOM 909 O VAL A 65 -2.342 -2.604 10.597 1.00 0.00 O ATOM 910 CB VAL A 65 -4.323 -0.375 9.855 1.00 0.00 C ATOM 911 CG1 VAL A 65 -3.654 0.568 8.856 1.00 0.00 C ATOM 912 CG2 VAL A 65 -5.761 0.083 10.116 1.00 0.00 C ATOM 0 H VAL A 65 -5.104 -2.629 11.132 1.00 0.00 H new ATOM 0 HA VAL A 65 -4.586 -1.873 8.319 1.00 0.00 H new ATOM 0 HB VAL A 65 -3.773 -0.337 10.796 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -3.709 1.591 9.228 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -2.609 0.283 8.730 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -4.166 0.504 7.896 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -5.757 1.118 10.457 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -6.340 0.006 9.196 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -6.211 -0.549 10.882 1.00 0.00 H new ATOM 922 N LEU A 66 -2.180 -2.607 8.336 1.00 0.00 N ATOM 923 CA LEU A 66 -0.805 -3.129 8.301 1.00 0.00 C ATOM 924 C LEU A 66 0.121 -2.184 7.533 1.00 0.00 C ATOM 925 O LEU A 66 -0.334 -1.407 6.688 1.00 0.00 O ATOM 926 CB LEU A 66 -0.745 -4.542 7.668 1.00 0.00 C ATOM 927 CG LEU A 66 -2.054 -5.351 7.625 1.00 0.00 C ATOM 928 CD1 LEU A 66 -1.927 -6.498 6.634 1.00 0.00 C ATOM 929 CD2 LEU A 66 -2.423 -5.886 9.004 1.00 0.00 C ATOM 0 H LEU A 66 -2.581 -2.426 7.416 1.00 0.00 H new ATOM 0 HA LEU A 66 -0.466 -3.200 9.335 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -0.378 -4.439 6.647 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -0.005 -5.126 8.215 1.00 0.00 H new ATOM 0 HG LEU A 66 -2.852 -4.683 7.301 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -2.858 -7.064 6.611 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -1.720 -6.099 5.641 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -1.111 -7.154 6.939 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -3.352 -6.452 8.938 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -1.627 -6.536 9.367 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -2.554 -5.053 9.694 1.00 0.00 H new ATOM 941 N TYR A 67 1.421 -2.267 7.838 1.00 0.00 N ATOM 942 CA TYR A 67 2.444 -1.459 7.172 1.00 0.00 C ATOM 943 C TYR A 67 3.061 -2.253 6.027 1.00 0.00 C ATOM 944 O TYR A 67 3.391 -3.423 6.195 1.00 0.00 O ATOM 945 CB TYR A 67 3.543 -1.039 8.178 1.00 0.00 C ATOM 946 CG TYR A 67 4.768 -0.371 7.551 1.00 0.00 C ATOM 947 CD1 TYR A 67 4.824 1.003 7.364 1.00 0.00 C ATOM 948 CD2 TYR A 67 5.863 -1.133 7.136 1.00 0.00 C ATOM 949 CE1 TYR A 67 5.930 1.602 6.786 1.00 0.00 C ATOM 950 CE2 TYR A 67 6.971 -0.543 6.555 1.00 0.00 C ATOM 951 CZ TYR A 67 6.999 0.825 6.384 1.00 0.00 C ATOM 952 OH TYR A 67 8.097 1.420 5.805 1.00 0.00 O ATOM 0 H TYR A 67 1.791 -2.895 8.552 1.00 0.00 H new ATOM 0 HA TYR A 67 1.976 -0.558 6.775 1.00 0.00 H new ATOM 0 HB2 TYR A 67 3.107 -0.355 8.906 1.00 0.00 H new ATOM 0 HB3 TYR A 67 3.870 -1.922 8.727 1.00 0.00 H new ATOM 0 HD1 TYR A 67 3.990 1.615 7.675 1.00 0.00 H new ATOM 0 HD2 TYR A 67 5.844 -2.204 7.272 1.00 0.00 H new ATOM 0 HE1 TYR A 67 5.957 2.673 6.650 1.00 0.00 H new ATOM 0 HE2 TYR A 67 7.807 -1.149 6.238 1.00 0.00 H new ATOM 0 HH TYR A 67 8.760 0.734 5.581 1.00 0.00 H new ATOM 962 N VAL A 68 3.195 -1.614 4.868 1.00 0.00 N ATOM 963 CA VAL A 68 3.815 -2.251 3.708 1.00 0.00 C ATOM 964 C VAL A 68 4.802 -1.290 3.051 1.00 0.00 C ATOM 965 O VAL A 68 4.406 -0.242 2.532 1.00 0.00 O ATOM 966 CB VAL A 68 2.780 -2.785 2.671 1.00 0.00 C ATOM 967 CG1 VAL A 68 2.144 -4.065 3.185 1.00 0.00 C ATOM 968 CG2 VAL A 68 1.694 -1.763 2.331 1.00 0.00 C ATOM 0 H VAL A 68 2.883 -0.656 4.706 1.00 0.00 H new ATOM 0 HA VAL A 68 4.350 -3.127 4.074 1.00 0.00 H new ATOM 0 HB VAL A 68 3.328 -2.983 1.750 1.00 0.00 H new ATOM 0 HG11 VAL A 68 1.422 -4.431 2.455 1.00 0.00 H new ATOM 0 HG12 VAL A 68 2.917 -4.818 3.341 1.00 0.00 H new ATOM 0 HG13 VAL A 68 1.636 -3.865 4.129 1.00 0.00 H new ATOM 0 HG21 VAL A 68 1.004 -2.193 1.605 1.00 0.00 H new ATOM 0 HG22 VAL A 68 1.148 -1.497 3.236 1.00 0.00 H new ATOM 0 HG23 VAL A 68 2.154 -0.870 1.909 1.00 0.00 H new ATOM 978 N GLY A 69 6.085 -1.661 3.082 1.00 0.00 N ATOM 979 CA GLY A 69 7.126 -0.825 2.509 1.00 0.00 C ATOM 980 C GLY A 69 8.109 -1.604 1.670 1.00 0.00 C ATOM 981 O GLY A 69 8.320 -2.795 1.901 1.00 0.00 O ATOM 0 H GLY A 69 6.419 -2.531 3.497 1.00 0.00 H new ATOM 0 HA2 GLY A 69 6.666 -0.050 1.895 1.00 0.00 H new ATOM 0 HA3 GLY A 69 7.662 -0.319 3.312 1.00 0.00 H new ATOM 985 N GLY A 70 8.714 -0.917 0.701 1.00 0.00 N ATOM 986 CA GLY A 70 9.682 -1.542 -0.188 1.00 0.00 C ATOM 987 C GLY A 70 9.083 -1.863 -1.543 1.00 0.00 C ATOM 988 O GLY A 70 9.461 -2.854 -2.175 1.00 0.00 O ATOM 0 H GLY A 70 8.548 0.072 0.515 1.00 0.00 H new ATOM 0 HA2 GLY A 70 10.537 -0.878 -0.317 1.00 0.00 H new ATOM 0 HA3 GLY A 70 10.056 -2.458 0.269 1.00 0.00 H new ATOM 992 N LEU A 71 8.144 -1.016 -1.980 1.00 0.00 N ATOM 993 CA LEU A 71 7.462 -1.188 -3.264 1.00 0.00 C ATOM 994 C LEU A 71 8.158 -0.387 -4.361 1.00 0.00 C ATOM 995 O LEU A 71 8.957 0.511 -4.080 1.00 0.00 O ATOM 996 CB LEU A 71 5.984 -0.757 -3.183 1.00 0.00 C ATOM 997 CG LEU A 71 5.220 -1.156 -1.918 1.00 0.00 C ATOM 998 CD1 LEU A 71 5.324 -0.062 -0.878 1.00 0.00 C ATOM 999 CD2 LEU A 71 3.766 -1.428 -2.245 1.00 0.00 C ATOM 0 H LEU A 71 7.838 -0.197 -1.455 1.00 0.00 H new ATOM 0 HA LEU A 71 7.504 -2.250 -3.507 1.00 0.00 H new ATOM 0 HB2 LEU A 71 5.940 0.328 -3.279 1.00 0.00 H new ATOM 0 HB3 LEU A 71 5.460 -1.175 -4.043 1.00 0.00 H new ATOM 0 HG LEU A 71 5.664 -2.067 -1.516 1.00 0.00 H new ATOM 0 HD11 LEU A 71 4.777 -0.358 0.017 1.00 0.00 H new ATOM 0 HD12 LEU A 71 6.372 0.101 -0.625 1.00 0.00 H new ATOM 0 HD13 LEU A 71 4.899 0.860 -1.276 1.00 0.00 H new ATOM 0 HD21 LEU A 71 3.235 -1.711 -1.336 1.00 0.00 H new ATOM 0 HD22 LEU A 71 3.313 -0.530 -2.665 1.00 0.00 H new ATOM 0 HD23 LEU A 71 3.702 -2.240 -2.970 1.00 0.00 H new ATOM 1011 N ALA A 72 7.834 -0.725 -5.611 1.00 0.00 N ATOM 1012 CA ALA A 72 8.402 -0.058 -6.786 1.00 0.00 C ATOM 1013 C ALA A 72 7.685 1.265 -7.065 1.00 0.00 C ATOM 1014 O ALA A 72 6.513 1.427 -6.716 1.00 0.00 O ATOM 1015 CB ALA A 72 8.327 -0.974 -8.002 1.00 0.00 C ATOM 0 H ALA A 72 7.172 -1.467 -5.838 1.00 0.00 H new ATOM 0 HA ALA A 72 9.449 0.164 -6.580 1.00 0.00 H new ATOM 0 HB1 ALA A 72 8.752 -0.466 -8.867 1.00 0.00 H new ATOM 0 HB2 ALA A 72 8.889 -1.887 -7.805 1.00 0.00 H new ATOM 0 HB3 ALA A 72 7.286 -1.225 -8.204 1.00 0.00 H new ATOM 1021 N GLU A 73 8.401 2.204 -7.697 1.00 0.00 N ATOM 1022 CA GLU A 73 7.856 3.532 -8.034 1.00 0.00 C ATOM 1023 C GLU A 73 6.655 3.432 -8.998 1.00 0.00 C ATOM 1024 O GLU A 73 5.789 4.313 -9.009 1.00 0.00 O ATOM 1025 CB GLU A 73 8.966 4.405 -8.650 1.00 0.00 C ATOM 1026 CG GLU A 73 8.687 5.913 -8.627 1.00 0.00 C ATOM 1027 CD GLU A 73 8.847 6.554 -7.250 1.00 0.00 C ATOM 1028 OE1 GLU A 73 9.687 6.077 -6.453 1.00 0.00 O ATOM 1029 OE2 GLU A 73 8.128 7.537 -6.970 1.00 0.00 O ATOM 0 H GLU A 73 9.369 2.069 -7.989 1.00 0.00 H new ATOM 0 HA GLU A 73 7.496 3.993 -7.114 1.00 0.00 H new ATOM 0 HB2 GLU A 73 9.897 4.214 -8.116 1.00 0.00 H new ATOM 0 HB3 GLU A 73 9.121 4.094 -9.683 1.00 0.00 H new ATOM 0 HG2 GLU A 73 9.361 6.407 -9.327 1.00 0.00 H new ATOM 0 HG3 GLU A 73 7.672 6.090 -8.983 1.00 0.00 H new ATOM 1036 N GLU A 74 6.621 2.355 -9.792 1.00 0.00 N ATOM 1037 CA GLU A 74 5.550 2.128 -10.772 1.00 0.00 C ATOM 1038 C GLU A 74 4.338 1.384 -10.173 1.00 0.00 C ATOM 1039 O GLU A 74 3.427 0.988 -10.912 1.00 0.00 O ATOM 1040 CB GLU A 74 6.096 1.353 -11.984 1.00 0.00 C ATOM 1041 CG GLU A 74 7.111 2.130 -12.813 1.00 0.00 C ATOM 1042 CD GLU A 74 7.559 1.373 -14.048 1.00 0.00 C ATOM 1043 OE1 GLU A 74 6.916 1.532 -15.107 1.00 0.00 O ATOM 1044 OE2 GLU A 74 8.553 0.622 -13.956 1.00 0.00 O ATOM 0 H GLU A 74 7.329 1.621 -9.775 1.00 0.00 H new ATOM 0 HA GLU A 74 5.198 3.110 -11.088 1.00 0.00 H new ATOM 0 HB2 GLU A 74 6.559 0.431 -11.633 1.00 0.00 H new ATOM 0 HB3 GLU A 74 5.262 1.067 -12.625 1.00 0.00 H new ATOM 0 HG2 GLU A 74 6.675 3.083 -13.114 1.00 0.00 H new ATOM 0 HG3 GLU A 74 7.980 2.358 -12.196 1.00 0.00 H new ATOM 1051 N VAL A 75 4.313 1.206 -8.839 1.00 0.00 N ATOM 1052 CA VAL A 75 3.197 0.508 -8.178 1.00 0.00 C ATOM 1053 C VAL A 75 2.100 1.500 -7.765 1.00 0.00 C ATOM 1054 O VAL A 75 2.396 2.622 -7.343 1.00 0.00 O ATOM 1055 CB VAL A 75 3.644 -0.361 -6.946 1.00 0.00 C ATOM 1056 CG1 VAL A 75 4.914 -1.148 -7.249 1.00 0.00 C ATOM 1057 CG2 VAL A 75 3.823 0.468 -5.674 1.00 0.00 C ATOM 0 H VAL A 75 5.043 1.531 -8.205 1.00 0.00 H new ATOM 0 HA VAL A 75 2.796 -0.186 -8.917 1.00 0.00 H new ATOM 0 HB VAL A 75 2.833 -1.066 -6.763 1.00 0.00 H new ATOM 0 HG11 VAL A 75 5.194 -1.737 -6.376 1.00 0.00 H new ATOM 0 HG12 VAL A 75 4.737 -1.813 -8.094 1.00 0.00 H new ATOM 0 HG13 VAL A 75 5.720 -0.457 -7.494 1.00 0.00 H new ATOM 0 HG21 VAL A 75 4.132 -0.183 -4.856 1.00 0.00 H new ATOM 0 HG22 VAL A 75 4.586 1.229 -5.840 1.00 0.00 H new ATOM 0 HG23 VAL A 75 2.879 0.950 -5.418 1.00 0.00 H new ATOM 1067 N ASP A 76 0.847 1.070 -7.901 1.00 0.00 N ATOM 1068 CA ASP A 76 -0.310 1.898 -7.549 1.00 0.00 C ATOM 1069 C ASP A 76 -1.231 1.155 -6.565 1.00 0.00 C ATOM 1070 O ASP A 76 -0.902 0.050 -6.120 1.00 0.00 O ATOM 1071 CB ASP A 76 -1.072 2.332 -8.826 1.00 0.00 C ATOM 1072 CG ASP A 76 -1.441 1.179 -9.756 1.00 0.00 C ATOM 1073 OD1 ASP A 76 -2.028 0.186 -9.274 1.00 0.00 O ATOM 1074 OD2 ASP A 76 -1.143 1.274 -10.965 1.00 0.00 O ATOM 0 H ASP A 76 0.604 0.145 -8.255 1.00 0.00 H new ATOM 0 HA ASP A 76 0.044 2.800 -7.049 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -1.983 2.853 -8.532 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -0.459 3.046 -9.376 1.00 0.00 H new ATOM 1079 N ASP A 77 -2.380 1.770 -6.226 1.00 0.00 N ATOM 1080 CA ASP A 77 -3.359 1.175 -5.296 1.00 0.00 C ATOM 1081 C ASP A 77 -3.868 -0.182 -5.797 1.00 0.00 C ATOM 1082 O ASP A 77 -4.157 -1.078 -5.000 1.00 0.00 O ATOM 1083 CB ASP A 77 -4.548 2.121 -5.100 1.00 0.00 C ATOM 1084 CG ASP A 77 -4.190 3.359 -4.300 1.00 0.00 C ATOM 1085 OD1 ASP A 77 -4.099 3.257 -3.059 1.00 0.00 O ATOM 1086 OD2 ASP A 77 -4.002 4.430 -4.914 1.00 0.00 O ATOM 0 H ASP A 77 -2.654 2.685 -6.585 1.00 0.00 H new ATOM 0 HA ASP A 77 -2.849 1.019 -4.345 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -4.931 2.422 -6.075 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -5.352 1.587 -4.593 1.00 0.00 H new ATOM 1091 N LYS A 78 -3.967 -0.311 -7.129 1.00 0.00 N ATOM 1092 CA LYS A 78 -4.444 -1.539 -7.787 1.00 0.00 C ATOM 1093 C LYS A 78 -3.428 -2.673 -7.630 1.00 0.00 C ATOM 1094 O LYS A 78 -3.801 -3.839 -7.476 1.00 0.00 O ATOM 1095 CB LYS A 78 -4.716 -1.285 -9.285 1.00 0.00 C ATOM 1096 CG LYS A 78 -5.654 -0.109 -9.585 1.00 0.00 C ATOM 1097 CD LYS A 78 -7.104 -0.391 -9.199 1.00 0.00 C ATOM 1098 CE LYS A 78 -7.983 0.828 -9.427 1.00 0.00 C ATOM 1099 NZ LYS A 78 -8.390 0.963 -10.853 1.00 0.00 N ATOM 0 H LYS A 78 -3.719 0.433 -7.781 1.00 0.00 H new ATOM 0 HA LYS A 78 -5.375 -1.835 -7.304 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -3.764 -1.108 -9.786 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -5.142 -2.189 -9.720 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -5.305 0.773 -9.048 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -5.606 0.125 -10.648 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -7.482 -1.229 -9.784 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -7.153 -0.686 -8.151 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -8.873 0.756 -8.801 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -7.447 1.725 -9.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -8.988 1.806 -10.965 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -7.543 1.058 -11.448 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -8.924 0.119 -11.143 1.00 0.00 H new ATOM 1113 N VAL A 79 -2.140 -2.297 -7.675 1.00 0.00 N ATOM 1114 CA VAL A 79 -1.024 -3.224 -7.540 1.00 0.00 C ATOM 1115 C VAL A 79 -0.937 -3.770 -6.101 1.00 0.00 C ATOM 1116 O VAL A 79 -0.829 -4.984 -5.895 1.00 0.00 O ATOM 1117 CB VAL A 79 0.305 -2.509 -7.923 1.00 0.00 C ATOM 1118 CG1 VAL A 79 1.480 -3.451 -7.842 1.00 0.00 C ATOM 1119 CG2 VAL A 79 0.235 -1.898 -9.320 1.00 0.00 C ATOM 0 H VAL A 79 -1.850 -1.328 -7.808 1.00 0.00 H new ATOM 0 HA VAL A 79 -1.187 -4.065 -8.214 1.00 0.00 H new ATOM 0 HB VAL A 79 0.446 -1.706 -7.200 1.00 0.00 H new ATOM 0 HG11 VAL A 79 2.392 -2.920 -8.116 1.00 0.00 H new ATOM 0 HG12 VAL A 79 1.573 -3.831 -6.824 1.00 0.00 H new ATOM 0 HG13 VAL A 79 1.326 -4.284 -8.527 1.00 0.00 H new ATOM 0 HG21 VAL A 79 1.181 -1.408 -9.551 1.00 0.00 H new ATOM 0 HG22 VAL A 79 0.045 -2.683 -10.052 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -0.571 -1.165 -9.357 1.00 0.00 H new ATOM 1129 N LEU A 80 -0.998 -2.854 -5.120 1.00 0.00 N ATOM 1130 CA LEU A 80 -0.926 -3.211 -3.698 1.00 0.00 C ATOM 1131 C LEU A 80 -2.156 -4.023 -3.254 1.00 0.00 C ATOM 1132 O LEU A 80 -2.034 -4.965 -2.465 1.00 0.00 O ATOM 1133 CB LEU A 80 -0.803 -1.941 -2.844 1.00 0.00 C ATOM 1134 CG LEU A 80 -0.067 -2.108 -1.501 1.00 0.00 C ATOM 1135 CD1 LEU A 80 0.579 -0.799 -1.075 1.00 0.00 C ATOM 1136 CD2 LEU A 80 -1.013 -2.606 -0.414 1.00 0.00 C ATOM 0 H LEU A 80 -1.098 -1.853 -5.291 1.00 0.00 H new ATOM 0 HA LEU A 80 -0.044 -3.835 -3.555 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -0.285 -1.181 -3.429 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -1.805 -1.562 -2.644 1.00 0.00 H new ATOM 0 HG LEU A 80 0.715 -2.854 -1.642 1.00 0.00 H new ATOM 0 HD11 LEU A 80 1.093 -0.940 -0.124 1.00 0.00 H new ATOM 0 HD12 LEU A 80 1.297 -0.484 -1.833 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -0.189 -0.034 -0.962 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -0.466 -2.715 0.523 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -1.823 -1.889 -0.280 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -1.427 -3.571 -0.706 1.00 0.00 H new ATOM 1148 N HIS A 81 -3.334 -3.641 -3.779 1.00 0.00 N ATOM 1149 CA HIS A 81 -4.608 -4.307 -3.461 1.00 0.00 C ATOM 1150 C HIS A 81 -4.666 -5.734 -4.036 1.00 0.00 C ATOM 1151 O HIS A 81 -5.021 -6.681 -3.330 1.00 0.00 O ATOM 1152 CB HIS A 81 -5.777 -3.466 -4.003 1.00 0.00 C ATOM 1153 CG HIS A 81 -7.082 -3.692 -3.298 1.00 0.00 C ATOM 1154 ND1 HIS A 81 -7.927 -4.741 -3.594 1.00 0.00 N ATOM 1155 CD2 HIS A 81 -7.693 -2.986 -2.317 1.00 0.00 C ATOM 1156 CE1 HIS A 81 -9.001 -4.669 -2.827 1.00 0.00 C ATOM 1157 NE2 HIS A 81 -8.882 -3.614 -2.043 1.00 0.00 N ATOM 0 H HIS A 81 -3.429 -2.864 -4.433 1.00 0.00 H new ATOM 0 HA HIS A 81 -4.686 -4.390 -2.377 1.00 0.00 H new ATOM 0 HB2 HIS A 81 -5.515 -2.411 -3.927 1.00 0.00 H new ATOM 0 HB3 HIS A 81 -5.907 -3.687 -5.062 1.00 0.00 H new ATOM 0 HD2 HIS A 81 -7.315 -2.094 -1.839 1.00 0.00 H new ATOM 0 HE1 HIS A 81 -9.834 -5.356 -2.840 1.00 0.00 H new ATOM 0 HE2 HIS A 81 -9.564 -3.314 -1.346 1.00 0.00 H new ATOM 1166 N ALA A 82 -4.303 -5.863 -5.323 1.00 0.00 N ATOM 1167 CA ALA A 82 -4.306 -7.150 -6.034 1.00 0.00 C ATOM 1168 C ALA A 82 -3.202 -8.105 -5.555 1.00 0.00 C ATOM 1169 O ALA A 82 -3.299 -9.318 -5.764 1.00 0.00 O ATOM 1170 CB ALA A 82 -4.175 -6.914 -7.530 1.00 0.00 C ATOM 0 H ALA A 82 -3.999 -5.078 -5.899 1.00 0.00 H new ATOM 0 HA ALA A 82 -5.258 -7.632 -5.811 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -4.178 -7.871 -8.051 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -5.013 -6.309 -7.878 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -3.241 -6.392 -7.736 1.00 0.00 H new ATOM 1176 N ALA A 83 -2.158 -7.551 -4.919 1.00 0.00 N ATOM 1177 CA ALA A 83 -1.023 -8.340 -4.430 1.00 0.00 C ATOM 1178 C ALA A 83 -1.318 -8.935 -3.059 1.00 0.00 C ATOM 1179 O ALA A 83 -0.856 -10.033 -2.731 1.00 0.00 O ATOM 1180 CB ALA A 83 0.226 -7.472 -4.369 1.00 0.00 C ATOM 0 H ALA A 83 -2.079 -6.551 -4.732 1.00 0.00 H new ATOM 0 HA ALA A 83 -0.854 -9.163 -5.125 1.00 0.00 H new ATOM 0 HB1 ALA A 83 1.064 -8.066 -4.005 1.00 0.00 H new ATOM 0 HB2 ALA A 83 0.455 -7.094 -5.365 1.00 0.00 H new ATOM 0 HB3 ALA A 83 0.054 -6.634 -3.693 1.00 0.00 H new ATOM 1186 N PHE A 84 -2.092 -8.187 -2.275 1.00 0.00 N ATOM 1187 CA PHE A 84 -2.470 -8.589 -0.929 1.00 0.00 C ATOM 1188 C PHE A 84 -3.907 -9.124 -0.861 1.00 0.00 C ATOM 1189 O PHE A 84 -4.383 -9.497 0.217 1.00 0.00 O ATOM 1190 CB PHE A 84 -2.299 -7.401 0.012 1.00 0.00 C ATOM 1191 CG PHE A 84 -0.871 -7.142 0.395 1.00 0.00 C ATOM 1192 CD1 PHE A 84 -0.320 -7.756 1.507 1.00 0.00 C ATOM 1193 CD2 PHE A 84 -0.077 -6.294 -0.360 1.00 0.00 C ATOM 1194 CE1 PHE A 84 0.994 -7.530 1.860 1.00 0.00 C ATOM 1195 CE2 PHE A 84 1.239 -6.063 -0.012 1.00 0.00 C ATOM 1196 CZ PHE A 84 1.775 -6.682 1.099 1.00 0.00 C ATOM 0 H PHE A 84 -2.473 -7.285 -2.559 1.00 0.00 H new ATOM 0 HA PHE A 84 -1.817 -9.407 -0.624 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -2.707 -6.509 -0.464 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -2.883 -7.576 0.915 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -0.926 -8.420 2.105 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -0.492 -5.808 -1.231 1.00 0.00 H new ATOM 0 HE1 PHE A 84 1.412 -8.015 2.730 1.00 0.00 H new ATOM 0 HE2 PHE A 84 1.848 -5.399 -0.608 1.00 0.00 H new ATOM 0 HZ PHE A 84 2.804 -6.504 1.373 1.00 0.00 H new ATOM 1206 N ILE A 85 -4.589 -9.172 -2.019 1.00 0.00 N ATOM 1207 CA ILE A 85 -5.971 -9.663 -2.097 1.00 0.00 C ATOM 1208 C ILE A 85 -6.096 -11.205 -1.864 1.00 0.00 C ATOM 1209 O ILE A 85 -7.119 -11.634 -1.323 1.00 0.00 O ATOM 1210 CB ILE A 85 -6.672 -9.203 -3.429 1.00 0.00 C ATOM 1211 CG1 ILE A 85 -8.203 -9.325 -3.328 1.00 0.00 C ATOM 1212 CG2 ILE A 85 -6.165 -9.953 -4.662 1.00 0.00 C ATOM 1213 CD1 ILE A 85 -8.878 -8.132 -2.678 1.00 0.00 C ATOM 0 H ILE A 85 -4.202 -8.875 -2.915 1.00 0.00 H new ATOM 0 HA ILE A 85 -6.506 -9.201 -1.268 1.00 0.00 H new ATOM 0 HB ILE A 85 -6.407 -8.154 -3.558 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -8.613 -9.460 -4.329 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -8.449 -10.222 -2.760 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -6.686 -9.591 -5.548 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -5.094 -9.783 -4.776 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -6.352 -11.020 -4.541 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -9.955 -8.297 -2.645 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -8.499 -8.007 -1.664 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -8.666 -7.234 -3.257 1.00 0.00 H new ATOM 1225 N PRO A 86 -5.088 -12.072 -2.251 1.00 0.00 N ATOM 1226 CA PRO A 86 -5.183 -13.537 -2.030 1.00 0.00 C ATOM 1227 C PRO A 86 -5.315 -13.937 -0.552 1.00 0.00 C ATOM 1228 O PRO A 86 -5.831 -15.017 -0.246 1.00 0.00 O ATOM 1229 CB PRO A 86 -3.868 -14.086 -2.597 1.00 0.00 C ATOM 1230 CG PRO A 86 -3.388 -13.040 -3.538 1.00 0.00 C ATOM 1231 CD PRO A 86 -3.812 -11.734 -2.939 1.00 0.00 C ATOM 0 HA PRO A 86 -6.080 -13.933 -2.506 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -3.142 -14.267 -1.805 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -4.025 -15.035 -3.109 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -2.305 -13.085 -3.654 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -3.821 -13.176 -4.529 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -3.068 -11.351 -2.241 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -3.957 -10.969 -3.702 1.00 0.00 H new ATOM 1239 N PHE A 87 -4.848 -13.063 0.356 1.00 0.00 N ATOM 1240 CA PHE A 87 -4.901 -13.330 1.806 1.00 0.00 C ATOM 1241 C PHE A 87 -6.279 -13.013 2.402 1.00 0.00 C ATOM 1242 O PHE A 87 -6.705 -13.662 3.362 1.00 0.00 O ATOM 1243 CB PHE A 87 -3.835 -12.514 2.561 1.00 0.00 C ATOM 1244 CG PHE A 87 -2.437 -12.617 1.997 1.00 0.00 C ATOM 1245 CD1 PHE A 87 -1.692 -13.781 2.136 1.00 0.00 C ATOM 1246 CD2 PHE A 87 -1.869 -11.540 1.333 1.00 0.00 C ATOM 1247 CE1 PHE A 87 -0.413 -13.866 1.621 1.00 0.00 C ATOM 1248 CE2 PHE A 87 -0.591 -11.621 0.817 1.00 0.00 C ATOM 1249 CZ PHE A 87 0.139 -12.785 0.961 1.00 0.00 C ATOM 0 H PHE A 87 -4.429 -12.165 0.113 1.00 0.00 H new ATOM 0 HA PHE A 87 -4.704 -14.395 1.927 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -4.134 -11.466 2.562 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -3.817 -12.841 3.601 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -2.117 -14.629 2.652 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -2.434 -10.626 1.218 1.00 0.00 H new ATOM 0 HE1 PHE A 87 0.155 -14.777 1.734 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -0.162 -10.775 0.301 1.00 0.00 H new ATOM 0 HZ PHE A 87 1.139 -12.850 0.558 1.00 0.00 H new ATOM 1259 N GLY A 88 -6.964 -12.015 1.825 1.00 0.00 N ATOM 1260 CA GLY A 88 -8.278 -11.618 2.314 1.00 0.00 C ATOM 1261 C GLY A 88 -8.845 -10.421 1.576 1.00 0.00 C ATOM 1262 O GLY A 88 -8.302 -9.999 0.550 1.00 0.00 O ATOM 0 H GLY A 88 -6.628 -11.477 1.027 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -8.966 -12.458 2.216 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -8.209 -11.384 3.376 1.00 0.00 H new ATOM 1266 N ASP A 89 -9.948 -9.878 2.109 1.00 0.00 N ATOM 1267 CA ASP A 89 -10.617 -8.710 1.523 1.00 0.00 C ATOM 1268 C ASP A 89 -9.971 -7.412 2.007 1.00 0.00 C ATOM 1269 O ASP A 89 -9.700 -7.255 3.201 1.00 0.00 O ATOM 1270 CB ASP A 89 -12.112 -8.711 1.877 1.00 0.00 C ATOM 1271 CG ASP A 89 -12.878 -9.877 1.265 1.00 0.00 C ATOM 1272 OD1 ASP A 89 -12.605 -10.230 0.096 1.00 0.00 O ATOM 1273 OD2 ASP A 89 -13.753 -10.437 1.959 1.00 0.00 O ATOM 0 H ASP A 89 -10.398 -10.233 2.952 1.00 0.00 H new ATOM 0 HA ASP A 89 -10.509 -8.771 0.440 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -12.221 -8.743 2.961 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -12.558 -7.776 1.539 1.00 0.00 H new ATOM 1278 N ILE A 90 -9.732 -6.493 1.068 1.00 0.00 N ATOM 1279 CA ILE A 90 -9.114 -5.200 1.378 1.00 0.00 C ATOM 1280 C ILE A 90 -10.101 -4.066 1.092 1.00 0.00 C ATOM 1281 O ILE A 90 -10.830 -4.104 0.098 1.00 0.00 O ATOM 1282 CB ILE A 90 -7.791 -4.982 0.579 1.00 0.00 C ATOM 1283 CG1 ILE A 90 -6.833 -6.163 0.794 1.00 0.00 C ATOM 1284 CG2 ILE A 90 -7.099 -3.677 0.988 1.00 0.00 C ATOM 1285 CD1 ILE A 90 -6.089 -6.580 -0.456 1.00 0.00 C ATOM 0 H ILE A 90 -9.958 -6.621 0.082 1.00 0.00 H new ATOM 0 HA ILE A 90 -8.859 -5.199 2.438 1.00 0.00 H new ATOM 0 HB ILE A 90 -8.053 -4.916 -0.477 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -6.110 -5.897 1.565 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -7.400 -7.015 1.170 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -6.181 -3.556 0.413 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -7.764 -2.836 0.792 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -6.859 -3.710 2.051 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -5.432 -7.419 -0.226 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -6.804 -6.879 -1.222 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -5.494 -5.743 -0.822 1.00 0.00 H new ATOM 1297 N THR A 91 -10.107 -3.065 1.980 1.00 0.00 N ATOM 1298 CA THR A 91 -10.997 -1.911 1.852 1.00 0.00 C ATOM 1299 C THR A 91 -10.362 -0.789 1.025 1.00 0.00 C ATOM 1300 O THR A 91 -10.883 -0.436 -0.038 1.00 0.00 O ATOM 1301 CB THR A 91 -11.422 -1.359 3.234 1.00 0.00 C ATOM 1302 OG1 THR A 91 -10.308 -1.364 4.134 1.00 0.00 O ATOM 1303 CG2 THR A 91 -12.557 -2.183 3.822 1.00 0.00 C ATOM 0 H THR A 91 -9.500 -3.034 2.799 1.00 0.00 H new ATOM 0 HA THR A 91 -11.885 -2.267 1.329 1.00 0.00 H new ATOM 0 HB THR A 91 -11.770 -0.335 3.095 1.00 0.00 H new ATOM 0 HG1 THR A 91 -10.632 -1.292 5.056 1.00 0.00 H new ATOM 0 HG21 THR A 91 -12.838 -1.775 4.793 1.00 0.00 H new ATOM 0 HG22 THR A 91 -13.416 -2.149 3.152 1.00 0.00 H new ATOM 0 HG23 THR A 91 -12.232 -3.216 3.943 1.00 0.00 H new ATOM 1311 N ASP A 92 -9.237 -0.230 1.512 1.00 0.00 N ATOM 1312 CA ASP A 92 -8.543 0.864 0.814 1.00 0.00 C ATOM 1313 C ASP A 92 -7.027 0.820 1.036 1.00 0.00 C ATOM 1314 O ASP A 92 -6.540 0.218 2.004 1.00 0.00 O ATOM 1315 CB ASP A 92 -9.083 2.235 1.271 1.00 0.00 C ATOM 1316 CG ASP A 92 -10.512 2.503 0.821 1.00 0.00 C ATOM 1317 OD1 ASP A 92 -10.840 2.207 -0.350 1.00 0.00 O ATOM 1318 OD2 ASP A 92 -11.304 3.010 1.642 1.00 0.00 O ATOM 0 H ASP A 92 -8.792 -0.519 2.383 1.00 0.00 H new ATOM 0 HA ASP A 92 -8.738 0.729 -0.250 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -9.036 2.291 2.359 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -8.434 3.020 0.883 1.00 0.00 H new ATOM 1323 N ILE A 93 -6.300 1.465 0.111 1.00 0.00 N ATOM 1324 CA ILE A 93 -4.839 1.569 0.166 1.00 0.00 C ATOM 1325 C ILE A 93 -4.462 3.052 0.281 1.00 0.00 C ATOM 1326 O ILE A 93 -4.885 3.863 -0.550 1.00 0.00 O ATOM 1327 CB ILE A 93 -4.153 0.943 -1.104 1.00 0.00 C ATOM 1328 CG1 ILE A 93 -4.641 -0.505 -1.402 1.00 0.00 C ATOM 1329 CG2 ILE A 93 -2.625 0.965 -0.986 1.00 0.00 C ATOM 1330 CD1 ILE A 93 -4.677 -1.459 -0.210 1.00 0.00 C ATOM 0 H ILE A 93 -6.713 1.930 -0.698 1.00 0.00 H new ATOM 0 HA ILE A 93 -4.485 1.009 1.032 1.00 0.00 H new ATOM 0 HB ILE A 93 -4.453 1.570 -1.943 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -5.643 -0.449 -1.827 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -3.994 -0.935 -2.166 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -2.185 0.525 -1.881 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -2.283 1.995 -0.882 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -2.319 0.391 -0.111 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -5.032 -2.436 -0.537 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -3.675 -1.558 0.207 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -5.350 -1.064 0.552 1.00 0.00 H new ATOM 1342 N GLN A 94 -3.672 3.396 1.305 1.00 0.00 N ATOM 1343 CA GLN A 94 -3.264 4.788 1.522 1.00 0.00 C ATOM 1344 C GLN A 94 -1.748 4.959 1.378 1.00 0.00 C ATOM 1345 O GLN A 94 -0.967 4.311 2.081 1.00 0.00 O ATOM 1346 CB GLN A 94 -3.732 5.266 2.906 1.00 0.00 C ATOM 1347 CG GLN A 94 -3.897 6.782 3.028 1.00 0.00 C ATOM 1348 CD GLN A 94 -5.212 7.281 2.455 1.00 0.00 C ATOM 1349 OE1 GLN A 94 -6.285 6.975 2.975 1.00 0.00 O ATOM 1350 NE2 GLN A 94 -5.133 8.053 1.378 1.00 0.00 N ATOM 0 H GLN A 94 -3.305 2.736 1.991 1.00 0.00 H new ATOM 0 HA GLN A 94 -3.738 5.401 0.755 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -4.684 4.789 3.139 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -3.015 4.929 3.655 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -3.833 7.066 4.078 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -3.072 7.275 2.514 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -4.222 8.281 0.980 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -5.983 8.418 0.949 1.00 0.00 H new ATOM 1359 N ILE A 95 -1.357 5.839 0.448 1.00 0.00 N ATOM 1360 CA ILE A 95 0.056 6.144 0.187 1.00 0.00 C ATOM 1361 C ILE A 95 0.281 7.668 0.244 1.00 0.00 C ATOM 1362 O ILE A 95 -0.328 8.395 -0.548 1.00 0.00 O ATOM 1363 CB ILE A 95 0.539 5.611 -1.201 1.00 0.00 C ATOM 1364 CG1 ILE A 95 -0.119 4.270 -1.552 1.00 0.00 C ATOM 1365 CG2 ILE A 95 2.059 5.458 -1.230 1.00 0.00 C ATOM 1366 CD1 ILE A 95 -1.339 4.407 -2.430 1.00 0.00 C ATOM 0 H ILE A 95 -2.007 6.358 -0.142 1.00 0.00 H new ATOM 0 HA ILE A 95 0.637 5.640 0.959 1.00 0.00 H new ATOM 0 HB ILE A 95 0.240 6.348 -1.946 1.00 0.00 H new ATOM 0 HG12 ILE A 95 0.612 3.637 -2.056 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -0.400 3.761 -0.630 1.00 0.00 H new ATOM 0 HG21 ILE A 95 2.369 5.086 -2.207 1.00 0.00 H new ATOM 0 HG22 ILE A 95 2.526 6.426 -1.046 1.00 0.00 H new ATOM 0 HG23 ILE A 95 2.369 4.753 -0.458 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -1.751 3.419 -2.637 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -2.088 5.013 -1.920 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -1.060 4.888 -3.368 1.00 0.00 H new ATOM 1378 N PRO A 96 1.144 8.194 1.178 1.00 0.00 N ATOM 1379 CA PRO A 96 1.422 9.648 1.268 1.00 0.00 C ATOM 1380 C PRO A 96 1.985 10.214 -0.044 1.00 0.00 C ATOM 1381 O PRO A 96 3.083 9.841 -0.477 1.00 0.00 O ATOM 1382 CB PRO A 96 2.462 9.756 2.394 1.00 0.00 C ATOM 1383 CG PRO A 96 2.291 8.514 3.196 1.00 0.00 C ATOM 1384 CD PRO A 96 1.884 7.444 2.223 1.00 0.00 C ATOM 0 HA PRO A 96 0.515 10.222 1.461 1.00 0.00 H new ATOM 0 HB2 PRO A 96 3.473 9.830 1.992 1.00 0.00 H new ATOM 0 HB3 PRO A 96 2.294 10.645 3.002 1.00 0.00 H new ATOM 0 HG2 PRO A 96 3.218 8.247 3.704 1.00 0.00 H new ATOM 0 HG3 PRO A 96 1.532 8.649 3.967 1.00 0.00 H new ATOM 0 HD2 PRO A 96 2.750 6.926 1.809 1.00 0.00 H new ATOM 0 HD3 PRO A 96 1.257 6.688 2.696 1.00 0.00 H new ATOM 1392 N LEU A 97 1.210 11.103 -0.672 1.00 0.00 N ATOM 1393 CA LEU A 97 1.597 11.712 -1.944 1.00 0.00 C ATOM 1394 C LEU A 97 1.547 13.239 -1.864 1.00 0.00 C ATOM 1395 O LEU A 97 0.590 13.807 -1.329 1.00 0.00 O ATOM 1396 CB LEU A 97 0.667 11.211 -3.057 1.00 0.00 C ATOM 1397 CG LEU A 97 1.244 11.260 -4.474 1.00 0.00 C ATOM 1398 CD1 LEU A 97 1.825 9.909 -4.861 1.00 0.00 C ATOM 1399 CD2 LEU A 97 0.173 11.688 -5.467 1.00 0.00 C ATOM 0 H LEU A 97 0.307 11.417 -0.317 1.00 0.00 H new ATOM 0 HA LEU A 97 2.624 11.422 -2.168 1.00 0.00 H new ATOM 0 HB2 LEU A 97 0.385 10.182 -2.834 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -0.248 11.804 -3.036 1.00 0.00 H new ATOM 0 HG LEU A 97 2.048 11.996 -4.496 1.00 0.00 H new ATOM 0 HD11 LEU A 97 2.230 9.963 -5.871 1.00 0.00 H new ATOM 0 HD12 LEU A 97 2.620 9.642 -4.165 1.00 0.00 H new ATOM 0 HD13 LEU A 97 1.042 9.152 -4.825 1.00 0.00 H new ATOM 0 HD21 LEU A 97 0.598 11.718 -6.470 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -0.651 10.975 -5.443 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -0.196 12.678 -5.200 1.00 0.00 H new ATOM 1411 N ASP A 98 2.589 13.889 -2.401 1.00 0.00 N ATOM 1412 CA ASP A 98 2.676 15.355 -2.419 1.00 0.00 C ATOM 1413 C ASP A 98 2.032 15.911 -3.686 1.00 0.00 C ATOM 1414 O ASP A 98 2.114 15.294 -4.747 1.00 0.00 O ATOM 1415 CB ASP A 98 4.138 15.825 -2.339 1.00 0.00 C ATOM 1416 CG ASP A 98 4.842 15.397 -1.057 1.00 0.00 C ATOM 1417 OD1 ASP A 98 4.239 15.528 0.031 1.00 0.00 O ATOM 1418 OD2 ASP A 98 5.997 14.931 -1.146 1.00 0.00 O ATOM 0 H ASP A 98 3.386 13.420 -2.830 1.00 0.00 H new ATOM 0 HA ASP A 98 2.141 15.729 -1.546 1.00 0.00 H new ATOM 0 HB2 ASP A 98 4.686 15.431 -3.195 1.00 0.00 H new ATOM 0 HB3 ASP A 98 4.167 16.912 -2.415 1.00 0.00 H new ATOM 1423 N TYR A 99 1.379 17.071 -3.561 1.00 0.00 N ATOM 1424 CA TYR A 99 0.711 17.735 -4.695 1.00 0.00 C ATOM 1425 C TYR A 99 1.698 18.187 -5.780 1.00 0.00 C ATOM 1426 O TYR A 99 1.383 18.152 -6.973 1.00 0.00 O ATOM 1427 CB TYR A 99 -0.086 18.949 -4.201 1.00 0.00 C ATOM 1428 CG TYR A 99 -1.268 18.598 -3.322 1.00 0.00 C ATOM 1429 CD1 TYR A 99 -2.443 18.115 -3.879 1.00 0.00 C ATOM 1430 CD2 TYR A 99 -1.210 18.756 -1.944 1.00 0.00 C ATOM 1431 CE1 TYR A 99 -3.531 17.798 -3.088 1.00 0.00 C ATOM 1432 CE2 TYR A 99 -2.293 18.440 -1.144 1.00 0.00 C ATOM 1433 CZ TYR A 99 -3.451 17.961 -1.721 1.00 0.00 C ATOM 1434 OH TYR A 99 -4.531 17.647 -0.929 1.00 0.00 O ATOM 0 H TYR A 99 1.296 17.577 -2.679 1.00 0.00 H new ATOM 0 HA TYR A 99 0.043 16.998 -5.141 1.00 0.00 H new ATOM 0 HB2 TYR A 99 0.582 19.607 -3.646 1.00 0.00 H new ATOM 0 HB3 TYR A 99 -0.443 19.511 -5.064 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -2.509 17.984 -4.949 1.00 0.00 H new ATOM 0 HD2 TYR A 99 -0.305 19.132 -1.490 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -4.439 17.425 -3.538 1.00 0.00 H new ATOM 0 HE2 TYR A 99 -2.233 18.568 -0.073 1.00 0.00 H new ATOM 0 HH TYR A 99 -4.309 17.818 0.010 1.00 0.00 H new ATOM 1444 N GLU A 100 2.889 18.609 -5.340 1.00 0.00 N ATOM 1445 CA GLU A 100 3.948 19.107 -6.230 1.00 0.00 C ATOM 1446 C GLU A 100 4.635 17.988 -7.043 1.00 0.00 C ATOM 1447 O GLU A 100 4.783 18.113 -8.263 1.00 0.00 O ATOM 1448 CB GLU A 100 4.987 19.872 -5.389 1.00 0.00 C ATOM 1449 CG GLU A 100 5.957 20.730 -6.199 1.00 0.00 C ATOM 1450 CD GLU A 100 7.031 21.369 -5.339 1.00 0.00 C ATOM 1451 OE1 GLU A 100 6.696 22.272 -4.542 1.00 0.00 O ATOM 1452 OE2 GLU A 100 8.207 20.966 -5.462 1.00 0.00 O ATOM 0 H GLU A 100 3.148 18.615 -4.353 1.00 0.00 H new ATOM 0 HA GLU A 100 3.482 19.769 -6.960 1.00 0.00 H new ATOM 0 HB2 GLU A 100 4.461 20.512 -4.681 1.00 0.00 H new ATOM 0 HB3 GLU A 100 5.561 19.153 -4.804 1.00 0.00 H new ATOM 0 HG2 GLU A 100 6.429 20.114 -6.964 1.00 0.00 H new ATOM 0 HG3 GLU A 100 5.400 21.511 -6.717 1.00 0.00 H new ATOM 1459 N THR A 101 5.047 16.908 -6.364 1.00 0.00 N ATOM 1460 CA THR A 101 5.746 15.791 -7.023 1.00 0.00 C ATOM 1461 C THR A 101 4.808 14.671 -7.457 1.00 0.00 C ATOM 1462 O THR A 101 5.082 13.991 -8.448 1.00 0.00 O ATOM 1463 CB THR A 101 6.836 15.198 -6.100 1.00 0.00 C ATOM 1464 OG1 THR A 101 6.282 14.894 -4.814 1.00 0.00 O ATOM 1465 CG2 THR A 101 8.007 16.160 -5.938 1.00 0.00 C ATOM 0 H THR A 101 4.910 16.783 -5.361 1.00 0.00 H new ATOM 0 HA THR A 101 6.200 16.216 -7.918 1.00 0.00 H new ATOM 0 HB THR A 101 7.204 14.283 -6.564 1.00 0.00 H new ATOM 0 HG1 THR A 101 6.980 14.518 -4.238 1.00 0.00 H new ATOM 0 HG21 THR A 101 8.756 15.714 -5.284 1.00 0.00 H new ATOM 0 HG22 THR A 101 8.450 16.361 -6.913 1.00 0.00 H new ATOM 0 HG23 THR A 101 7.653 17.094 -5.501 1.00 0.00 H new ATOM 1473 N GLU A 102 3.678 14.499 -6.741 1.00 0.00 N ATOM 1474 CA GLU A 102 2.682 13.431 -7.028 1.00 0.00 C ATOM 1475 C GLU A 102 3.343 12.033 -7.075 1.00 0.00 C ATOM 1476 O GLU A 102 2.823 11.099 -7.700 1.00 0.00 O ATOM 1477 CB GLU A 102 1.922 13.717 -8.342 1.00 0.00 C ATOM 1478 CG GLU A 102 1.002 14.928 -8.273 1.00 0.00 C ATOM 1479 CD GLU A 102 0.215 15.135 -9.552 1.00 0.00 C ATOM 1480 OE1 GLU A 102 0.809 15.610 -10.543 1.00 0.00 O ATOM 1481 OE2 GLU A 102 -0.994 14.821 -9.563 1.00 0.00 O ATOM 0 H GLU A 102 3.425 15.091 -5.950 1.00 0.00 H new ATOM 0 HA GLU A 102 1.963 13.432 -6.209 1.00 0.00 H new ATOM 0 HB2 GLU A 102 2.646 13.868 -9.143 1.00 0.00 H new ATOM 0 HB3 GLU A 102 1.332 12.840 -8.607 1.00 0.00 H new ATOM 0 HG2 GLU A 102 0.309 14.807 -7.440 1.00 0.00 H new ATOM 0 HG3 GLU A 102 1.595 15.819 -8.067 1.00 0.00 H new ATOM 1488 N LYS A 103 4.486 11.909 -6.383 1.00 0.00 N ATOM 1489 CA LYS A 103 5.253 10.661 -6.338 1.00 0.00 C ATOM 1490 C LYS A 103 5.250 10.085 -4.921 1.00 0.00 C ATOM 1491 O LYS A 103 5.062 10.823 -3.949 1.00 0.00 O ATOM 1492 CB LYS A 103 6.710 10.900 -6.785 1.00 0.00 C ATOM 1493 CG LYS A 103 6.865 11.649 -8.107 1.00 0.00 C ATOM 1494 CD LYS A 103 8.279 11.536 -8.653 1.00 0.00 C ATOM 1495 CE LYS A 103 8.459 12.374 -9.908 1.00 0.00 C ATOM 1496 NZ LYS A 103 9.858 12.325 -10.415 1.00 0.00 N ATOM 0 H LYS A 103 4.900 12.668 -5.843 1.00 0.00 H new ATOM 0 HA LYS A 103 4.782 9.953 -7.019 1.00 0.00 H new ATOM 0 HB2 LYS A 103 7.226 11.460 -6.005 1.00 0.00 H new ATOM 0 HB3 LYS A 103 7.211 9.936 -6.870 1.00 0.00 H new ATOM 0 HG2 LYS A 103 6.160 11.250 -8.836 1.00 0.00 H new ATOM 0 HG3 LYS A 103 6.613 12.700 -7.962 1.00 0.00 H new ATOM 0 HD2 LYS A 103 8.991 11.859 -7.893 1.00 0.00 H new ATOM 0 HD3 LYS A 103 8.502 10.493 -8.876 1.00 0.00 H new ATOM 0 HE2 LYS A 103 7.780 12.018 -10.683 1.00 0.00 H new ATOM 0 HE3 LYS A 103 8.186 13.408 -9.696 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 9.938 12.910 -11.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 10.504 12.689 -9.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 10.111 11.342 -10.642 1.00 0.00 H new ATOM 1510 N HIS A 104 5.459 8.767 -4.811 1.00 0.00 N ATOM 1511 CA HIS A 104 5.493 8.097 -3.508 1.00 0.00 C ATOM 1512 C HIS A 104 6.929 7.715 -3.132 1.00 0.00 C ATOM 1513 O HIS A 104 7.796 7.596 -4.004 1.00 0.00 O ATOM 1514 CB HIS A 104 4.559 6.867 -3.497 1.00 0.00 C ATOM 1515 CG HIS A 104 4.968 5.738 -4.405 1.00 0.00 C ATOM 1516 ND1 HIS A 104 5.553 4.577 -3.939 1.00 0.00 N ATOM 1517 CD2 HIS A 104 4.862 5.592 -5.747 1.00 0.00 C ATOM 1518 CE1 HIS A 104 5.787 3.766 -4.956 1.00 0.00 C ATOM 1519 NE2 HIS A 104 5.377 4.358 -6.062 1.00 0.00 N ATOM 0 H HIS A 104 5.607 8.146 -5.607 1.00 0.00 H new ATOM 0 HA HIS A 104 5.127 8.794 -2.754 1.00 0.00 H new ATOM 0 HB2 HIS A 104 4.499 6.487 -2.477 1.00 0.00 H new ATOM 0 HB3 HIS A 104 3.556 7.191 -3.777 1.00 0.00 H new ATOM 0 HD2 HIS A 104 4.450 6.311 -6.440 1.00 0.00 H new ATOM 0 HE1 HIS A 104 6.237 2.786 -4.893 1.00 0.00 H new ATOM 0 HE2 HIS A 104 5.433 3.963 -7.001 1.00 0.00 H new ATOM 1528 N ARG A 105 7.164 7.520 -1.829 1.00 0.00 N ATOM 1529 CA ARG A 105 8.494 7.159 -1.317 1.00 0.00 C ATOM 1530 C ARG A 105 8.718 5.637 -1.296 1.00 0.00 C ATOM 1531 O ARG A 105 9.796 5.171 -0.907 1.00 0.00 O ATOM 1532 CB ARG A 105 8.703 7.747 0.086 1.00 0.00 C ATOM 1533 CG ARG A 105 8.811 9.266 0.113 1.00 0.00 C ATOM 1534 CD ARG A 105 9.142 9.777 1.506 1.00 0.00 C ATOM 1535 NE ARG A 105 9.083 11.241 1.583 1.00 0.00 N ATOM 1536 CZ ARG A 105 8.236 11.935 2.360 1.00 0.00 C ATOM 1537 NH1 ARG A 105 7.351 11.317 3.142 1.00 0.00 N ATOM 1538 NH2 ARG A 105 8.277 13.260 2.351 1.00 0.00 N ATOM 0 H ARG A 105 6.449 7.606 -1.107 1.00 0.00 H new ATOM 0 HA ARG A 105 9.229 7.585 -2.000 1.00 0.00 H new ATOM 0 HB2 ARG A 105 7.874 7.441 0.724 1.00 0.00 H new ATOM 0 HB3 ARG A 105 9.610 7.321 0.516 1.00 0.00 H new ATOM 0 HG2 ARG A 105 9.582 9.589 -0.587 1.00 0.00 H new ATOM 0 HG3 ARG A 105 7.871 9.705 -0.223 1.00 0.00 H new ATOM 0 HD2 ARG A 105 8.444 9.348 2.225 1.00 0.00 H new ATOM 0 HD3 ARG A 105 10.139 9.439 1.789 1.00 0.00 H new ATOM 0 HE ARG A 105 9.734 11.771 1.003 1.00 0.00 H new ATOM 0 HH11 ARG A 105 7.308 10.298 3.158 1.00 0.00 H new ATOM 0 HH12 ARG A 105 6.716 11.863 3.725 1.00 0.00 H new ATOM 0 HH21 ARG A 105 8.949 13.745 1.756 1.00 0.00 H new ATOM 0 HH22 ARG A 105 7.637 13.794 2.939 1.00 0.00 H new ATOM 1552 N GLY A 106 7.706 4.872 -1.729 1.00 0.00 N ATOM 1553 CA GLY A 106 7.819 3.418 -1.767 1.00 0.00 C ATOM 1554 C GLY A 106 7.256 2.710 -0.545 1.00 0.00 C ATOM 1555 O GLY A 106 7.709 1.611 -0.216 1.00 0.00 O ATOM 0 H GLY A 106 6.811 5.237 -2.054 1.00 0.00 H new ATOM 0 HA2 GLY A 106 7.304 3.049 -2.654 1.00 0.00 H new ATOM 0 HA3 GLY A 106 8.870 3.151 -1.874 1.00 0.00 H new ATOM 1559 N PHE A 107 6.294 3.344 0.147 1.00 0.00 N ATOM 1560 CA PHE A 107 5.646 2.730 1.313 1.00 0.00 C ATOM 1561 C PHE A 107 4.181 3.154 1.413 1.00 0.00 C ATOM 1562 O PHE A 107 3.812 4.256 0.996 1.00 0.00 O ATOM 1563 CB PHE A 107 6.405 3.010 2.634 1.00 0.00 C ATOM 1564 CG PHE A 107 6.509 4.460 3.044 1.00 0.00 C ATOM 1565 CD1 PHE A 107 5.503 5.055 3.789 1.00 0.00 C ATOM 1566 CD2 PHE A 107 7.623 5.213 2.708 1.00 0.00 C ATOM 1567 CE1 PHE A 107 5.603 6.374 4.188 1.00 0.00 C ATOM 1568 CE2 PHE A 107 7.726 6.534 3.102 1.00 0.00 C ATOM 1569 CZ PHE A 107 6.716 7.115 3.843 1.00 0.00 C ATOM 0 H PHE A 107 5.951 4.277 -0.081 1.00 0.00 H new ATOM 0 HA PHE A 107 5.680 1.651 1.160 1.00 0.00 H new ATOM 0 HB2 PHE A 107 5.912 2.461 3.436 1.00 0.00 H new ATOM 0 HB3 PHE A 107 7.413 2.606 2.543 1.00 0.00 H new ATOM 0 HD1 PHE A 107 4.630 4.480 4.061 1.00 0.00 H new ATOM 0 HD2 PHE A 107 8.419 4.763 2.133 1.00 0.00 H new ATOM 0 HE1 PHE A 107 4.812 6.825 4.769 1.00 0.00 H new ATOM 0 HE2 PHE A 107 8.597 7.112 2.830 1.00 0.00 H new ATOM 0 HZ PHE A 107 6.796 8.147 4.152 1.00 0.00 H new ATOM 1579 N ALA A 108 3.357 2.258 1.977 1.00 0.00 N ATOM 1580 CA ALA A 108 1.915 2.485 2.138 1.00 0.00 C ATOM 1581 C ALA A 108 1.348 1.628 3.274 1.00 0.00 C ATOM 1582 O ALA A 108 2.043 0.761 3.810 1.00 0.00 O ATOM 1583 CB ALA A 108 1.186 2.152 0.837 1.00 0.00 C ATOM 0 H ALA A 108 3.673 1.356 2.334 1.00 0.00 H new ATOM 0 HA ALA A 108 1.763 3.536 2.385 1.00 0.00 H new ATOM 0 HB1 ALA A 108 0.117 2.323 0.965 1.00 0.00 H new ATOM 0 HB2 ALA A 108 1.562 2.788 0.036 1.00 0.00 H new ATOM 0 HB3 ALA A 108 1.358 1.107 0.581 1.00 0.00 H new ATOM 1589 N PHE A 109 0.097 1.907 3.658 1.00 0.00 N ATOM 1590 CA PHE A 109 -0.596 1.127 4.685 1.00 0.00 C ATOM 1591 C PHE A 109 -1.801 0.448 4.044 1.00 0.00 C ATOM 1592 O PHE A 109 -2.450 1.033 3.169 1.00 0.00 O ATOM 1593 CB PHE A 109 -1.037 1.997 5.871 1.00 0.00 C ATOM 1594 CG PHE A 109 0.101 2.667 6.593 1.00 0.00 C ATOM 1595 CD1 PHE A 109 0.545 3.922 6.207 1.00 0.00 C ATOM 1596 CD2 PHE A 109 0.725 2.040 7.659 1.00 0.00 C ATOM 1597 CE1 PHE A 109 1.588 4.538 6.870 1.00 0.00 C ATOM 1598 CE2 PHE A 109 1.771 2.651 8.327 1.00 0.00 C ATOM 1599 CZ PHE A 109 2.202 3.902 7.932 1.00 0.00 C ATOM 0 H PHE A 109 -0.456 2.671 3.270 1.00 0.00 H new ATOM 0 HA PHE A 109 0.093 0.382 5.083 1.00 0.00 H new ATOM 0 HB2 PHE A 109 -1.726 2.761 5.512 1.00 0.00 H new ATOM 0 HB3 PHE A 109 -1.588 1.377 6.578 1.00 0.00 H new ATOM 0 HD1 PHE A 109 0.069 4.424 5.378 1.00 0.00 H new ATOM 0 HD2 PHE A 109 0.391 1.062 7.972 1.00 0.00 H new ATOM 0 HE1 PHE A 109 1.924 5.516 6.559 1.00 0.00 H new ATOM 0 HE2 PHE A 109 2.250 2.151 9.156 1.00 0.00 H new ATOM 0 HZ PHE A 109 3.017 4.382 8.452 1.00 0.00 H new ATOM 1609 N VAL A 110 -2.103 -0.774 4.479 1.00 0.00 N ATOM 1610 CA VAL A 110 -3.216 -1.537 3.911 1.00 0.00 C ATOM 1611 C VAL A 110 -4.281 -1.849 4.972 1.00 0.00 C ATOM 1612 O VAL A 110 -3.956 -2.260 6.090 1.00 0.00 O ATOM 1613 CB VAL A 110 -2.690 -2.842 3.213 1.00 0.00 C ATOM 1614 CG1 VAL A 110 -2.015 -3.805 4.194 1.00 0.00 C ATOM 1615 CG2 VAL A 110 -3.796 -3.557 2.436 1.00 0.00 C ATOM 0 H VAL A 110 -1.595 -1.257 5.220 1.00 0.00 H new ATOM 0 HA VAL A 110 -3.697 -0.922 3.150 1.00 0.00 H new ATOM 0 HB VAL A 110 -1.930 -2.515 2.503 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -1.671 -4.689 3.657 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -1.164 -3.310 4.662 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -2.729 -4.102 4.962 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -3.391 -4.454 1.968 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -4.599 -3.835 3.119 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -4.188 -2.892 1.666 1.00 0.00 H new ATOM 1625 N GLU A 111 -5.549 -1.647 4.595 1.00 0.00 N ATOM 1626 CA GLU A 111 -6.676 -1.908 5.487 1.00 0.00 C ATOM 1627 C GLU A 111 -7.445 -3.151 5.046 1.00 0.00 C ATOM 1628 O GLU A 111 -7.880 -3.247 3.895 1.00 0.00 O ATOM 1629 CB GLU A 111 -7.614 -0.695 5.525 1.00 0.00 C ATOM 1630 CG GLU A 111 -7.586 0.074 6.839 1.00 0.00 C ATOM 1631 CD GLU A 111 -8.476 -0.544 7.903 1.00 0.00 C ATOM 1632 OE1 GLU A 111 -7.991 -1.424 8.646 1.00 0.00 O ATOM 1633 OE2 GLU A 111 -9.656 -0.145 7.995 1.00 0.00 O ATOM 0 H GLU A 111 -5.817 -1.302 3.673 1.00 0.00 H new ATOM 0 HA GLU A 111 -6.283 -2.086 6.488 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -7.346 -0.017 4.714 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -8.633 -1.032 5.336 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -6.561 0.115 7.208 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -7.902 1.102 6.660 1.00 0.00 H new ATOM 1640 N PHE A 112 -7.605 -4.096 5.976 1.00 0.00 N ATOM 1641 CA PHE A 112 -8.324 -5.342 5.711 1.00 0.00 C ATOM 1642 C PHE A 112 -9.688 -5.339 6.388 1.00 0.00 C ATOM 1643 O PHE A 112 -9.819 -4.889 7.528 1.00 0.00 O ATOM 1644 CB PHE A 112 -7.511 -6.548 6.192 1.00 0.00 C ATOM 1645 CG PHE A 112 -6.546 -7.084 5.169 1.00 0.00 C ATOM 1646 CD1 PHE A 112 -5.247 -6.607 5.095 1.00 0.00 C ATOM 1647 CD2 PHE A 112 -6.944 -8.072 4.282 1.00 0.00 C ATOM 1648 CE1 PHE A 112 -4.364 -7.108 4.155 1.00 0.00 C ATOM 1649 CE2 PHE A 112 -6.066 -8.574 3.342 1.00 0.00 C ATOM 1650 CZ PHE A 112 -4.775 -8.092 3.279 1.00 0.00 C ATOM 0 H PHE A 112 -7.242 -4.019 6.926 1.00 0.00 H new ATOM 0 HA PHE A 112 -8.469 -5.418 4.633 1.00 0.00 H new ATOM 0 HB2 PHE A 112 -6.956 -6.265 7.087 1.00 0.00 H new ATOM 0 HB3 PHE A 112 -8.197 -7.344 6.481 1.00 0.00 H new ATOM 0 HD1 PHE A 112 -4.921 -5.837 5.778 1.00 0.00 H new ATOM 0 HD2 PHE A 112 -7.953 -8.454 4.327 1.00 0.00 H new ATOM 0 HE1 PHE A 112 -3.354 -6.729 4.107 1.00 0.00 H new ATOM 0 HE2 PHE A 112 -6.390 -9.343 2.657 1.00 0.00 H new ATOM 0 HZ PHE A 112 -4.087 -8.484 2.545 1.00 0.00 H new ATOM 1660 N GLU A 113 -10.704 -5.843 5.671 1.00 0.00 N ATOM 1661 CA GLU A 113 -12.080 -5.921 6.189 1.00 0.00 C ATOM 1662 C GLU A 113 -12.160 -6.886 7.389 1.00 0.00 C ATOM 1663 O GLU A 113 -12.909 -6.643 8.341 1.00 0.00 O ATOM 1664 CB GLU A 113 -13.034 -6.364 5.066 1.00 0.00 C ATOM 1665 CG GLU A 113 -14.512 -6.156 5.370 1.00 0.00 C ATOM 1666 CD GLU A 113 -15.415 -6.723 4.295 1.00 0.00 C ATOM 1667 OE1 GLU A 113 -15.741 -5.983 3.342 1.00 0.00 O ATOM 1668 OE2 GLU A 113 -15.797 -7.907 4.402 1.00 0.00 O ATOM 0 H GLU A 113 -10.598 -6.205 4.724 1.00 0.00 H new ATOM 0 HA GLU A 113 -12.381 -4.933 6.537 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -12.783 -5.817 4.157 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -12.864 -7.421 4.859 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -14.752 -6.624 6.325 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -14.710 -5.090 5.480 1.00 0.00 H new ATOM 1675 N LEU A 114 -11.381 -7.971 7.317 1.00 0.00 N ATOM 1676 CA LEU A 114 -11.328 -8.973 8.380 1.00 0.00 C ATOM 1677 C LEU A 114 -10.001 -8.902 9.122 1.00 0.00 C ATOM 1678 O LEU A 114 -8.937 -8.842 8.501 1.00 0.00 O ATOM 1679 CB LEU A 114 -11.522 -10.384 7.804 1.00 0.00 C ATOM 1680 CG LEU A 114 -12.975 -10.802 7.547 1.00 0.00 C ATOM 1681 CD1 LEU A 114 -13.480 -10.245 6.223 1.00 0.00 C ATOM 1682 CD2 LEU A 114 -13.097 -12.319 7.564 1.00 0.00 C ATOM 0 H LEU A 114 -10.774 -8.176 6.524 1.00 0.00 H new ATOM 0 HA LEU A 114 -12.136 -8.761 9.080 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -10.972 -10.452 6.865 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -11.072 -11.102 8.490 1.00 0.00 H new ATOM 0 HG LEU A 114 -13.593 -10.389 8.344 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -14.513 -10.557 6.067 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -13.429 -9.156 6.243 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -12.860 -10.622 5.410 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -14.133 -12.603 7.380 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -12.461 -12.744 6.787 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -12.784 -12.698 8.537 1.00 0.00 H new ATOM 1694 N ALA A 115 -10.080 -8.910 10.459 1.00 0.00 N ATOM 1695 CA ALA A 115 -8.891 -8.867 11.325 1.00 0.00 C ATOM 1696 C ALA A 115 -8.079 -10.166 11.225 1.00 0.00 C ATOM 1697 O ALA A 115 -6.870 -10.175 11.477 1.00 0.00 O ATOM 1698 CB ALA A 115 -9.303 -8.616 12.768 1.00 0.00 C ATOM 0 H ALA A 115 -10.962 -8.946 10.969 1.00 0.00 H new ATOM 0 HA ALA A 115 -8.257 -8.048 10.985 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -8.415 -8.586 13.400 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -9.829 -7.664 12.836 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -9.960 -9.418 13.103 1.00 0.00 H new ATOM 1704 N GLU A 116 -8.769 -11.259 10.847 1.00 0.00 N ATOM 1705 CA GLU A 116 -8.155 -12.588 10.691 1.00 0.00 C ATOM 1706 C GLU A 116 -7.160 -12.621 9.525 1.00 0.00 C ATOM 1707 O GLU A 116 -6.068 -13.187 9.647 1.00 0.00 O ATOM 1708 CB GLU A 116 -9.247 -13.641 10.464 1.00 0.00 C ATOM 1709 CG GLU A 116 -10.081 -13.955 11.701 1.00 0.00 C ATOM 1710 CD GLU A 116 -9.387 -14.904 12.661 1.00 0.00 C ATOM 1711 OE1 GLU A 116 -8.666 -14.420 13.559 1.00 0.00 O ATOM 1712 OE2 GLU A 116 -9.569 -16.132 12.518 1.00 0.00 O ATOM 0 H GLU A 116 -9.768 -11.244 10.642 1.00 0.00 H new ATOM 0 HA GLU A 116 -7.607 -12.810 11.607 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -9.910 -13.295 9.671 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -8.781 -14.561 10.111 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -10.312 -13.026 12.222 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -11.030 -14.391 11.391 1.00 0.00 H new ATOM 1719 N ASP A 117 -7.552 -12.003 8.398 1.00 0.00 N ATOM 1720 CA ASP A 117 -6.704 -11.928 7.195 1.00 0.00 C ATOM 1721 C ASP A 117 -5.495 -11.016 7.424 1.00 0.00 C ATOM 1722 O ASP A 117 -4.419 -11.251 6.868 1.00 0.00 O ATOM 1723 CB ASP A 117 -7.506 -11.438 5.982 1.00 0.00 C ATOM 1724 CG ASP A 117 -8.628 -12.384 5.579 1.00 0.00 C ATOM 1725 OD1 ASP A 117 -8.404 -13.615 5.569 1.00 0.00 O ATOM 1726 OD2 ASP A 117 -9.735 -11.892 5.273 1.00 0.00 O ATOM 0 H ASP A 117 -8.457 -11.545 8.295 1.00 0.00 H new ATOM 0 HA ASP A 117 -6.344 -12.936 6.990 1.00 0.00 H new ATOM 0 HB2 ASP A 117 -7.929 -10.459 6.207 1.00 0.00 H new ATOM 0 HB3 ASP A 117 -6.830 -11.307 5.137 1.00 0.00 H new ATOM 1731 N ALA A 118 -5.692 -9.971 8.249 1.00 0.00 N ATOM 1732 CA ALA A 118 -4.635 -9.007 8.588 1.00 0.00 C ATOM 1733 C ALA A 118 -3.457 -9.695 9.286 1.00 0.00 C ATOM 1734 O ALA A 118 -2.294 -9.467 8.931 1.00 0.00 O ATOM 1735 CB ALA A 118 -5.207 -7.912 9.475 1.00 0.00 C ATOM 0 H ALA A 118 -6.587 -9.774 8.697 1.00 0.00 H new ATOM 0 HA ALA A 118 -4.262 -8.567 7.663 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -4.422 -7.199 9.725 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -6.009 -7.398 8.946 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -5.601 -8.354 10.390 1.00 0.00 H new ATOM 1741 N ALA A 119 -3.779 -10.548 10.274 1.00 0.00 N ATOM 1742 CA ALA A 119 -2.771 -11.317 11.011 1.00 0.00 C ATOM 1743 C ALA A 119 -2.141 -12.371 10.098 1.00 0.00 C ATOM 1744 O ALA A 119 -0.980 -12.752 10.272 1.00 0.00 O ATOM 1745 CB ALA A 119 -3.391 -11.975 12.234 1.00 0.00 C ATOM 0 H ALA A 119 -4.737 -10.720 10.579 1.00 0.00 H new ATOM 0 HA ALA A 119 -1.990 -10.635 11.348 1.00 0.00 H new ATOM 0 HB1 ALA A 119 -2.628 -12.541 12.768 1.00 0.00 H new ATOM 0 HB2 ALA A 119 -3.801 -11.208 12.891 1.00 0.00 H new ATOM 0 HB3 ALA A 119 -4.189 -12.648 11.920 1.00 0.00 H new ATOM 1751 N ALA A 120 -2.941 -12.824 9.116 1.00 0.00 N ATOM 1752 CA ALA A 120 -2.510 -13.820 8.128 1.00 0.00 C ATOM 1753 C ALA A 120 -1.509 -13.223 7.135 1.00 0.00 C ATOM 1754 O ALA A 120 -0.541 -13.882 6.748 1.00 0.00 O ATOM 1755 CB ALA A 120 -3.717 -14.376 7.382 1.00 0.00 C ATOM 0 H ALA A 120 -3.902 -12.508 8.988 1.00 0.00 H new ATOM 0 HA ALA A 120 -2.013 -14.630 8.663 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -3.385 -15.114 6.652 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -4.397 -14.848 8.091 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -4.233 -13.565 6.869 1.00 0.00 H new ATOM 1761 N ALA A 121 -1.752 -11.960 6.740 1.00 0.00 N ATOM 1762 CA ALA A 121 -0.884 -11.242 5.797 1.00 0.00 C ATOM 1763 C ALA A 121 0.512 -10.985 6.379 1.00 0.00 C ATOM 1764 O ALA A 121 1.513 -11.110 5.668 1.00 0.00 O ATOM 1765 CB ALA A 121 -1.535 -9.929 5.379 1.00 0.00 C ATOM 0 H ALA A 121 -2.550 -11.414 7.064 1.00 0.00 H new ATOM 0 HA ALA A 121 -0.757 -11.877 4.920 1.00 0.00 H new ATOM 0 HB1 ALA A 121 -0.882 -9.406 4.680 1.00 0.00 H new ATOM 0 HB2 ALA A 121 -2.492 -10.134 4.898 1.00 0.00 H new ATOM 0 HB3 ALA A 121 -1.697 -9.307 6.259 1.00 0.00 H new ATOM 1771 N ILE A 122 0.567 -10.628 7.676 1.00 0.00 N ATOM 1772 CA ILE A 122 1.845 -10.363 8.365 1.00 0.00 C ATOM 1773 C ILE A 122 2.650 -11.657 8.592 1.00 0.00 C ATOM 1774 O ILE A 122 3.883 -11.640 8.546 1.00 0.00 O ATOM 1775 CB ILE A 122 1.641 -9.592 9.712 1.00 0.00 C ATOM 1776 CG1 ILE A 122 1.016 -8.211 9.441 1.00 0.00 C ATOM 1777 CG2 ILE A 122 2.970 -9.418 10.467 1.00 0.00 C ATOM 1778 CD1 ILE A 122 0.120 -7.699 10.550 1.00 0.00 C ATOM 0 H ILE A 122 -0.257 -10.516 8.267 1.00 0.00 H new ATOM 0 HA ILE A 122 2.424 -9.719 7.704 1.00 0.00 H new ATOM 0 HB ILE A 122 0.969 -10.183 10.335 1.00 0.00 H new ATOM 0 HG12 ILE A 122 1.817 -7.490 9.276 1.00 0.00 H new ATOM 0 HG13 ILE A 122 0.438 -8.262 8.518 1.00 0.00 H new ATOM 0 HG21 ILE A 122 2.792 -8.879 11.397 1.00 0.00 H new ATOM 0 HG22 ILE A 122 3.392 -10.398 10.690 1.00 0.00 H new ATOM 0 HG23 ILE A 122 3.669 -8.854 9.849 1.00 0.00 H new ATOM 0 HD11 ILE A 122 -0.277 -6.722 10.275 1.00 0.00 H new ATOM 0 HD12 ILE A 122 -0.704 -8.396 10.702 1.00 0.00 H new ATOM 0 HD13 ILE A 122 0.696 -7.611 11.471 1.00 0.00 H new ATOM 1790 N ASP A 123 1.942 -12.765 8.836 1.00 0.00 N ATOM 1791 CA ASP A 123 2.580 -14.066 9.073 1.00 0.00 C ATOM 1792 C ASP A 123 2.949 -14.790 7.768 1.00 0.00 C ATOM 1793 O ASP A 123 3.757 -15.724 7.789 1.00 0.00 O ATOM 1794 CB ASP A 123 1.659 -14.952 9.915 1.00 0.00 C ATOM 1795 CG ASP A 123 2.425 -15.835 10.882 1.00 0.00 C ATOM 1796 OD1 ASP A 123 3.073 -15.288 11.799 1.00 0.00 O ATOM 1797 OD2 ASP A 123 2.375 -17.073 10.724 1.00 0.00 O ATOM 0 H ASP A 123 0.923 -12.787 8.875 1.00 0.00 H new ATOM 0 HA ASP A 123 3.509 -13.875 9.610 1.00 0.00 H new ATOM 0 HB2 ASP A 123 0.966 -14.323 10.474 1.00 0.00 H new ATOM 0 HB3 ASP A 123 1.059 -15.578 9.254 1.00 0.00 H new ATOM 1802 N ASN A 124 2.357 -14.361 6.644 1.00 0.00 N ATOM 1803 CA ASN A 124 2.609 -14.994 5.347 1.00 0.00 C ATOM 1804 C ASN A 124 3.707 -14.300 4.533 1.00 0.00 C ATOM 1805 O ASN A 124 4.610 -14.975 4.030 1.00 0.00 O ATOM 1806 CB ASN A 124 1.316 -15.060 4.527 1.00 0.00 C ATOM 1807 CG ASN A 124 0.405 -16.203 4.948 1.00 0.00 C ATOM 1808 OD1 ASN A 124 0.862 -17.311 5.236 1.00 0.00 O ATOM 1809 ND2 ASN A 124 -0.896 -15.940 4.977 1.00 0.00 N ATOM 0 H ASN A 124 1.702 -13.580 6.610 1.00 0.00 H new ATOM 0 HA ASN A 124 2.967 -16.001 5.563 1.00 0.00 H new ATOM 0 HB2 ASN A 124 0.778 -14.117 4.629 1.00 0.00 H new ATOM 0 HB3 ASN A 124 1.566 -15.171 3.472 1.00 0.00 H new ATOM 0 HD21 ASN A 124 -1.558 -16.669 5.245 1.00 0.00 H new ATOM 0 HD22 ASN A 124 -1.234 -15.009 4.731 1.00 0.00 H new ATOM 1816 N MET A 125 3.639 -12.963 4.400 1.00 0.00 N ATOM 1817 CA MET A 125 4.629 -12.226 3.606 1.00 0.00 C ATOM 1818 C MET A 125 5.150 -10.982 4.340 1.00 0.00 C ATOM 1819 O MET A 125 5.027 -9.854 3.849 1.00 0.00 O ATOM 1820 CB MET A 125 4.034 -11.841 2.238 1.00 0.00 C ATOM 1821 CG MET A 125 3.820 -13.024 1.302 1.00 0.00 C ATOM 1822 SD MET A 125 3.232 -12.521 -0.328 1.00 0.00 S ATOM 1823 CE MET A 125 2.957 -14.115 -1.097 1.00 0.00 C ATOM 0 H MET A 125 2.918 -12.381 4.827 1.00 0.00 H new ATOM 0 HA MET A 125 5.483 -12.886 3.451 1.00 0.00 H new ATOM 0 HB2 MET A 125 3.080 -11.339 2.396 1.00 0.00 H new ATOM 0 HB3 MET A 125 4.696 -11.123 1.754 1.00 0.00 H new ATOM 0 HG2 MET A 125 4.757 -13.571 1.194 1.00 0.00 H new ATOM 0 HG3 MET A 125 3.100 -13.710 1.748 1.00 0.00 H new ATOM 0 HE1 MET A 125 2.591 -13.970 -2.113 1.00 0.00 H new ATOM 0 HE2 MET A 125 3.894 -14.672 -1.125 1.00 0.00 H new ATOM 0 HE3 MET A 125 2.219 -14.674 -0.522 1.00 0.00 H new ATOM 1833 N ASN A 126 5.740 -11.201 5.523 1.00 0.00 N ATOM 1834 CA ASN A 126 6.315 -10.107 6.332 1.00 0.00 C ATOM 1835 C ASN A 126 7.574 -9.520 5.670 1.00 0.00 C ATOM 1836 O ASN A 126 7.814 -8.313 5.734 1.00 0.00 O ATOM 1837 CB ASN A 126 6.632 -10.587 7.764 1.00 0.00 C ATOM 1838 CG ASN A 126 7.472 -11.860 7.819 1.00 0.00 C ATOM 1839 OD1 ASN A 126 8.620 -11.880 7.377 1.00 0.00 O ATOM 1840 ND2 ASN A 126 6.896 -12.926 8.362 1.00 0.00 N ATOM 0 H ASN A 126 5.834 -12.125 5.945 1.00 0.00 H new ATOM 0 HA ASN A 126 5.567 -9.317 6.391 1.00 0.00 H new ATOM 0 HB2 ASN A 126 7.158 -9.793 8.294 1.00 0.00 H new ATOM 0 HB3 ASN A 126 5.695 -10.758 8.295 1.00 0.00 H new ATOM 0 HD21 ASN A 126 7.408 -13.806 8.425 1.00 0.00 H new ATOM 0 HD22 ASN A 126 5.941 -12.865 8.716 1.00 0.00 H new ATOM 1847 N GLU A 127 8.365 -10.401 5.042 1.00 0.00 N ATOM 1848 CA GLU A 127 9.595 -10.018 4.339 1.00 0.00 C ATOM 1849 C GLU A 127 9.747 -10.858 3.069 1.00 0.00 C ATOM 1850 O GLU A 127 10.492 -11.847 3.029 1.00 0.00 O ATOM 1851 CB GLU A 127 10.822 -10.169 5.251 1.00 0.00 C ATOM 1852 CG GLU A 127 10.908 -9.096 6.322 1.00 0.00 C ATOM 1853 CD GLU A 127 12.063 -9.313 7.279 1.00 0.00 C ATOM 1854 OE1 GLU A 127 11.954 -10.203 8.149 1.00 0.00 O ATOM 1855 OE2 GLU A 127 13.077 -8.594 7.159 1.00 0.00 O ATOM 0 H GLU A 127 8.168 -11.401 5.008 1.00 0.00 H new ATOM 0 HA GLU A 127 9.526 -8.967 4.058 1.00 0.00 H new ATOM 0 HB2 GLU A 127 10.793 -11.148 5.729 1.00 0.00 H new ATOM 0 HB3 GLU A 127 11.725 -10.138 4.642 1.00 0.00 H new ATOM 0 HG2 GLU A 127 11.015 -8.121 5.846 1.00 0.00 H new ATOM 0 HG3 GLU A 127 9.975 -9.075 6.885 1.00 0.00 H new ATOM 1862 N SER A 128 9.010 -10.449 2.037 1.00 0.00 N ATOM 1863 CA SER A 128 9.014 -11.136 0.743 1.00 0.00 C ATOM 1864 C SER A 128 9.357 -10.177 -0.398 1.00 0.00 C ATOM 1865 O SER A 128 9.308 -8.957 -0.226 1.00 0.00 O ATOM 1866 CB SER A 128 7.651 -11.800 0.499 1.00 0.00 C ATOM 1867 OG SER A 128 6.603 -10.843 0.493 1.00 0.00 O ATOM 0 H SER A 128 8.395 -9.636 2.072 1.00 0.00 H new ATOM 0 HA SER A 128 9.786 -11.905 0.768 1.00 0.00 H new ATOM 0 HB2 SER A 128 7.668 -12.330 -0.454 1.00 0.00 H new ATOM 0 HB3 SER A 128 7.463 -12.543 1.274 1.00 0.00 H new ATOM 0 HG SER A 128 5.828 -11.209 0.018 1.00 0.00 H new ATOM 1873 N GLU A 129 9.729 -10.740 -1.558 1.00 0.00 N ATOM 1874 CA GLU A 129 10.077 -9.945 -2.730 1.00 0.00 C ATOM 1875 C GLU A 129 8.853 -9.751 -3.634 1.00 0.00 C ATOM 1876 O GLU A 129 8.268 -10.721 -4.130 1.00 0.00 O ATOM 1877 CB GLU A 129 11.214 -10.631 -3.498 1.00 0.00 C ATOM 1878 CG GLU A 129 12.022 -9.689 -4.377 1.00 0.00 C ATOM 1879 CD GLU A 129 13.046 -10.411 -5.236 1.00 0.00 C ATOM 1880 OE1 GLU A 129 12.639 -11.233 -6.086 1.00 0.00 O ATOM 1881 OE2 GLU A 129 14.255 -10.153 -5.059 1.00 0.00 O ATOM 0 H GLU A 129 9.794 -11.748 -1.702 1.00 0.00 H new ATOM 0 HA GLU A 129 10.413 -8.960 -2.404 1.00 0.00 H new ATOM 0 HB2 GLU A 129 11.884 -11.110 -2.784 1.00 0.00 H new ATOM 0 HB3 GLU A 129 10.794 -11.421 -4.120 1.00 0.00 H new ATOM 0 HG2 GLU A 129 11.343 -9.131 -5.022 1.00 0.00 H new ATOM 0 HG3 GLU A 129 12.533 -8.961 -3.747 1.00 0.00 H new ATOM 1888 N LEU A 130 8.480 -8.485 -3.826 1.00 0.00 N ATOM 1889 CA LEU A 130 7.341 -8.112 -4.664 1.00 0.00 C ATOM 1890 C LEU A 130 7.767 -7.050 -5.679 1.00 0.00 C ATOM 1891 O LEU A 130 8.381 -6.046 -5.310 1.00 0.00 O ATOM 1892 CB LEU A 130 6.185 -7.598 -3.787 1.00 0.00 C ATOM 1893 CG LEU A 130 4.821 -7.443 -4.483 1.00 0.00 C ATOM 1894 CD1 LEU A 130 4.047 -8.754 -4.464 1.00 0.00 C ATOM 1895 CD2 LEU A 130 4.012 -6.337 -3.823 1.00 0.00 C ATOM 0 H LEU A 130 8.960 -7.690 -3.405 1.00 0.00 H new ATOM 0 HA LEU A 130 6.993 -8.990 -5.208 1.00 0.00 H new ATOM 0 HB2 LEU A 130 6.064 -8.280 -2.945 1.00 0.00 H new ATOM 0 HB3 LEU A 130 6.471 -6.630 -3.375 1.00 0.00 H new ATOM 0 HG LEU A 130 4.999 -7.171 -5.523 1.00 0.00 H new ATOM 0 HD11 LEU A 130 3.087 -8.617 -4.962 1.00 0.00 H new ATOM 0 HD12 LEU A 130 4.619 -9.522 -4.984 1.00 0.00 H new ATOM 0 HD13 LEU A 130 3.880 -9.063 -3.432 1.00 0.00 H new ATOM 0 HD21 LEU A 130 3.050 -6.240 -4.327 1.00 0.00 H new ATOM 0 HD22 LEU A 130 3.849 -6.582 -2.774 1.00 0.00 H new ATOM 0 HD23 LEU A 130 4.556 -5.395 -3.895 1.00 0.00 H new ATOM 1907 N PHE A 131 7.434 -7.286 -6.965 1.00 0.00 N ATOM 1908 CA PHE A 131 7.769 -6.367 -8.086 1.00 0.00 C ATOM 1909 C PHE A 131 9.294 -6.204 -8.279 1.00 0.00 C ATOM 1910 O PHE A 131 9.748 -5.290 -8.980 1.00 0.00 O ATOM 1911 CB PHE A 131 7.101 -4.988 -7.891 1.00 0.00 C ATOM 1912 CG PHE A 131 6.577 -4.383 -9.165 1.00 0.00 C ATOM 1913 CD1 PHE A 131 7.407 -3.633 -9.985 1.00 0.00 C ATOM 1914 CD2 PHE A 131 5.255 -4.562 -9.541 1.00 0.00 C ATOM 1915 CE1 PHE A 131 6.927 -3.074 -11.155 1.00 0.00 C ATOM 1916 CE2 PHE A 131 4.770 -4.007 -10.710 1.00 0.00 C ATOM 1917 CZ PHE A 131 5.608 -3.262 -11.518 1.00 0.00 C ATOM 0 H PHE A 131 6.925 -8.119 -7.261 1.00 0.00 H new ATOM 0 HA PHE A 131 7.374 -6.824 -8.993 1.00 0.00 H new ATOM 0 HB2 PHE A 131 6.279 -5.090 -7.183 1.00 0.00 H new ATOM 0 HB3 PHE A 131 7.823 -4.304 -7.445 1.00 0.00 H new ATOM 0 HD1 PHE A 131 8.440 -3.484 -9.706 1.00 0.00 H new ATOM 0 HD2 PHE A 131 4.596 -5.142 -8.913 1.00 0.00 H new ATOM 0 HE1 PHE A 131 7.583 -2.491 -11.784 1.00 0.00 H new ATOM 0 HE2 PHE A 131 3.738 -4.155 -10.992 1.00 0.00 H new ATOM 0 HZ PHE A 131 5.232 -2.827 -12.432 1.00 0.00 H new ATOM 1927 N GLY A 132 10.070 -7.111 -7.667 1.00 0.00 N ATOM 1928 CA GLY A 132 11.525 -7.068 -7.771 1.00 0.00 C ATOM 1929 C GLY A 132 12.192 -6.380 -6.586 1.00 0.00 C ATOM 1930 O GLY A 132 13.414 -6.203 -6.582 1.00 0.00 O ATOM 0 H GLY A 132 9.710 -7.878 -7.099 1.00 0.00 H new ATOM 0 HA2 GLY A 132 11.907 -8.085 -7.854 1.00 0.00 H new ATOM 0 HA3 GLY A 132 11.802 -6.548 -8.688 1.00 0.00 H new ATOM 1934 N ARG A 133 11.389 -5.996 -5.586 1.00 0.00 N ATOM 1935 CA ARG A 133 11.894 -5.323 -4.386 1.00 0.00 C ATOM 1936 C ARG A 133 11.442 -6.053 -3.123 1.00 0.00 C ATOM 1937 O ARG A 133 10.420 -6.743 -3.133 1.00 0.00 O ATOM 1938 CB ARG A 133 11.404 -3.870 -4.331 1.00 0.00 C ATOM 1939 CG ARG A 133 11.966 -2.972 -5.424 1.00 0.00 C ATOM 1940 CD ARG A 133 11.500 -1.534 -5.251 1.00 0.00 C ATOM 1941 NE ARG A 133 12.251 -0.831 -4.204 1.00 0.00 N ATOM 1942 CZ ARG A 133 12.310 0.502 -4.071 1.00 0.00 C ATOM 1943 NH1 ARG A 133 11.667 1.309 -4.913 1.00 0.00 N ATOM 1944 NH2 ARG A 133 13.020 1.030 -3.083 1.00 0.00 N ATOM 0 H ARG A 133 10.380 -6.142 -5.586 1.00 0.00 H new ATOM 0 HA ARG A 133 12.983 -5.334 -4.436 1.00 0.00 H new ATOM 0 HB2 ARG A 133 10.316 -3.864 -4.397 1.00 0.00 H new ATOM 0 HB3 ARG A 133 11.667 -3.448 -3.361 1.00 0.00 H new ATOM 0 HG2 ARG A 133 13.055 -3.009 -5.404 1.00 0.00 H new ATOM 0 HG3 ARG A 133 11.653 -3.343 -6.400 1.00 0.00 H new ATOM 0 HD2 ARG A 133 11.611 -1.002 -6.196 1.00 0.00 H new ATOM 0 HD3 ARG A 133 10.439 -1.525 -5.003 1.00 0.00 H new ATOM 0 HE ARG A 133 12.765 -1.397 -3.529 1.00 0.00 H new ATOM 0 HH11 ARG A 133 11.117 0.916 -5.676 1.00 0.00 H new ATOM 0 HH12 ARG A 133 11.725 2.320 -4.794 1.00 0.00 H new ATOM 0 HH21 ARG A 133 13.516 0.423 -2.431 1.00 0.00 H new ATOM 0 HH22 ARG A 133 13.070 2.043 -2.975 1.00 0.00 H new ATOM 1958 N THR A 134 12.208 -5.890 -2.034 1.00 0.00 N ATOM 1959 CA THR A 134 11.883 -6.519 -0.747 1.00 0.00 C ATOM 1960 C THR A 134 10.858 -5.665 0.007 1.00 0.00 C ATOM 1961 O THR A 134 11.026 -4.447 0.123 1.00 0.00 O ATOM 1962 CB THR A 134 13.146 -6.710 0.133 1.00 0.00 C ATOM 1963 OG1 THR A 134 14.294 -6.949 -0.691 1.00 0.00 O ATOM 1964 CG2 THR A 134 12.976 -7.878 1.101 1.00 0.00 C ATOM 0 H THR A 134 13.058 -5.327 -2.020 1.00 0.00 H new ATOM 0 HA THR A 134 11.464 -7.503 -0.956 1.00 0.00 H new ATOM 0 HB THR A 134 13.287 -5.795 0.708 1.00 0.00 H new ATOM 0 HG1 THR A 134 15.085 -7.066 -0.124 1.00 0.00 H new ATOM 0 HG21 THR A 134 13.878 -7.986 1.703 1.00 0.00 H new ATOM 0 HG22 THR A 134 12.124 -7.688 1.754 1.00 0.00 H new ATOM 0 HG23 THR A 134 12.804 -8.795 0.538 1.00 0.00 H new ATOM 1972 N ILE A 135 9.804 -6.314 0.515 1.00 0.00 N ATOM 1973 CA ILE A 135 8.743 -5.609 1.243 1.00 0.00 C ATOM 1974 C ILE A 135 8.648 -6.069 2.698 1.00 0.00 C ATOM 1975 O ILE A 135 8.949 -7.224 3.015 1.00 0.00 O ATOM 1976 CB ILE A 135 7.347 -5.747 0.551 1.00 0.00 C ATOM 1977 CG1 ILE A 135 6.959 -7.225 0.314 1.00 0.00 C ATOM 1978 CG2 ILE A 135 7.331 -4.969 -0.764 1.00 0.00 C ATOM 1979 CD1 ILE A 135 5.495 -7.533 0.574 1.00 0.00 C ATOM 0 H ILE A 135 9.663 -7.321 0.436 1.00 0.00 H new ATOM 0 HA ILE A 135 9.023 -4.556 1.227 1.00 0.00 H new ATOM 0 HB ILE A 135 6.602 -5.324 1.225 1.00 0.00 H new ATOM 0 HG12 ILE A 135 7.197 -7.491 -0.716 1.00 0.00 H new ATOM 0 HG13 ILE A 135 7.572 -7.857 0.957 1.00 0.00 H new ATOM 0 HG21 ILE A 135 6.354 -5.073 -1.236 1.00 0.00 H new ATOM 0 HG22 ILE A 135 7.528 -3.915 -0.566 1.00 0.00 H new ATOM 0 HG23 ILE A 135 8.099 -5.363 -1.429 1.00 0.00 H new ATOM 0 HD11 ILE A 135 5.306 -8.590 0.385 1.00 0.00 H new ATOM 0 HD12 ILE A 135 5.253 -7.301 1.611 1.00 0.00 H new ATOM 0 HD13 ILE A 135 4.873 -6.929 -0.087 1.00 0.00 H new ATOM 1991 N ARG A 136 8.228 -5.146 3.569 1.00 0.00 N ATOM 1992 CA ARG A 136 8.070 -5.431 4.997 1.00 0.00 C ATOM 1993 C ARG A 136 6.644 -5.128 5.422 1.00 0.00 C ATOM 1994 O ARG A 136 6.104 -4.076 5.066 1.00 0.00 O ATOM 1995 CB ARG A 136 9.021 -4.575 5.852 1.00 0.00 C ATOM 1996 CG ARG A 136 10.490 -4.685 5.477 1.00 0.00 C ATOM 1997 CD ARG A 136 11.385 -4.076 6.543 1.00 0.00 C ATOM 1998 NE ARG A 136 12.788 -4.022 6.117 1.00 0.00 N ATOM 1999 CZ ARG A 136 13.835 -3.920 6.948 1.00 0.00 C ATOM 2000 NH1 ARG A 136 13.665 -3.850 8.267 1.00 0.00 N ATOM 2001 NH2 ARG A 136 15.065 -3.884 6.451 1.00 0.00 N ATOM 0 H ARG A 136 7.990 -4.189 3.307 1.00 0.00 H new ATOM 0 HA ARG A 136 8.306 -6.484 5.151 1.00 0.00 H new ATOM 0 HB2 ARG A 136 8.718 -3.531 5.773 1.00 0.00 H new ATOM 0 HB3 ARG A 136 8.905 -4.862 6.897 1.00 0.00 H new ATOM 0 HG2 ARG A 136 10.753 -5.733 5.336 1.00 0.00 H new ATOM 0 HG3 ARG A 136 10.662 -4.182 4.525 1.00 0.00 H new ATOM 0 HD2 ARG A 136 11.038 -3.069 6.776 1.00 0.00 H new ATOM 0 HD3 ARG A 136 11.307 -4.661 7.460 1.00 0.00 H new ATOM 0 HE ARG A 136 12.981 -4.065 5.116 1.00 0.00 H new ATOM 0 HH11 ARG A 136 12.725 -3.874 8.662 1.00 0.00 H new ATOM 0 HH12 ARG A 136 14.475 -3.773 8.882 1.00 0.00 H new ATOM 0 HH21 ARG A 136 15.209 -3.934 5.442 1.00 0.00 H new ATOM 0 HH22 ARG A 136 15.866 -3.806 7.078 1.00 0.00 H new ATOM 2015 N VAL A 137 6.030 -6.045 6.175 1.00 0.00 N ATOM 2016 CA VAL A 137 4.664 -5.834 6.650 1.00 0.00 C ATOM 2017 C VAL A 137 4.576 -6.094 8.158 1.00 0.00 C ATOM 2018 O VAL A 137 5.115 -7.084 8.663 1.00 0.00 O ATOM 2019 CB VAL A 137 3.575 -6.648 5.847 1.00 0.00 C ATOM 2020 CG1 VAL A 137 4.054 -7.050 4.454 1.00 0.00 C ATOM 2021 CG2 VAL A 137 3.088 -7.874 6.591 1.00 0.00 C ATOM 0 H VAL A 137 6.451 -6.928 6.464 1.00 0.00 H new ATOM 0 HA VAL A 137 4.427 -4.787 6.460 1.00 0.00 H new ATOM 0 HB VAL A 137 2.735 -5.962 5.739 1.00 0.00 H new ATOM 0 HG11 VAL A 137 3.267 -7.607 3.945 1.00 0.00 H new ATOM 0 HG12 VAL A 137 4.295 -6.155 3.880 1.00 0.00 H new ATOM 0 HG13 VAL A 137 4.943 -7.675 4.541 1.00 0.00 H new ATOM 0 HG21 VAL A 137 2.341 -8.392 5.989 1.00 0.00 H new ATOM 0 HG22 VAL A 137 3.928 -8.542 6.781 1.00 0.00 H new ATOM 0 HG23 VAL A 137 2.644 -7.572 7.539 1.00 0.00 H new ATOM 2031 N ASN A 138 3.906 -5.173 8.860 1.00 0.00 N ATOM 2032 CA ASN A 138 3.726 -5.249 10.316 1.00 0.00 C ATOM 2033 C ASN A 138 2.415 -4.583 10.733 1.00 0.00 C ATOM 2034 O ASN A 138 1.735 -3.966 9.909 1.00 0.00 O ATOM 2035 CB ASN A 138 4.905 -4.588 11.043 1.00 0.00 C ATOM 2036 CG ASN A 138 6.000 -5.577 11.382 1.00 0.00 C ATOM 2037 OD1 ASN A 138 5.782 -6.528 12.136 1.00 0.00 O ATOM 2038 ND2 ASN A 138 7.185 -5.362 10.829 1.00 0.00 N ATOM 0 H ASN A 138 3.473 -4.353 8.435 1.00 0.00 H new ATOM 0 HA ASN A 138 3.688 -6.302 10.596 1.00 0.00 H new ATOM 0 HB2 ASN A 138 5.316 -3.795 10.418 1.00 0.00 H new ATOM 0 HB3 ASN A 138 4.547 -4.118 11.959 1.00 0.00 H new ATOM 0 HD21 ASN A 138 7.960 -5.996 11.022 1.00 0.00 H new ATOM 0 HD22 ASN A 138 7.322 -4.562 10.211 1.00 0.00 H new ATOM 2045 N LEU A 139 2.061 -4.717 12.021 1.00 0.00 N ATOM 2046 CA LEU A 139 0.831 -4.122 12.567 1.00 0.00 C ATOM 2047 C LEU A 139 0.933 -2.594 12.608 1.00 0.00 C ATOM 2048 O LEU A 139 1.916 -2.043 13.113 1.00 0.00 O ATOM 2049 CB LEU A 139 0.568 -4.651 13.980 1.00 0.00 C ATOM 2050 CG LEU A 139 0.320 -6.157 14.082 1.00 0.00 C ATOM 2051 CD1 LEU A 139 0.993 -6.716 15.321 1.00 0.00 C ATOM 2052 CD2 LEU A 139 -1.172 -6.458 14.106 1.00 0.00 C ATOM 0 H LEU A 139 2.612 -5.234 12.706 1.00 0.00 H new ATOM 0 HA LEU A 139 0.005 -4.402 11.913 1.00 0.00 H new ATOM 0 HB2 LEU A 139 1.421 -4.397 14.609 1.00 0.00 H new ATOM 0 HB3 LEU A 139 -0.297 -4.129 14.390 1.00 0.00 H new ATOM 0 HG LEU A 139 0.750 -6.637 13.203 1.00 0.00 H new ATOM 0 HD11 LEU A 139 0.809 -7.789 15.382 1.00 0.00 H new ATOM 0 HD12 LEU A 139 2.066 -6.534 15.265 1.00 0.00 H new ATOM 0 HD13 LEU A 139 0.588 -6.227 16.207 1.00 0.00 H new ATOM 0 HD21 LEU A 139 -1.325 -7.535 14.179 1.00 0.00 H new ATOM 0 HD22 LEU A 139 -1.628 -5.968 14.966 1.00 0.00 H new ATOM 0 HD23 LEU A 139 -1.633 -6.087 13.190 1.00 0.00 H new ATOM 2064 N ALA A 140 -0.092 -1.927 12.067 1.00 0.00 N ATOM 2065 CA ALA A 140 -0.137 -0.466 12.020 1.00 0.00 C ATOM 2066 C ALA A 140 -1.006 0.093 13.141 1.00 0.00 C ATOM 2067 CB ALA A 140 -0.648 0.005 10.663 1.00 0.00 C ATOM 0 H ALA A 140 -0.906 -2.382 11.653 1.00 0.00 H new ATOM 0 HA ALA A 140 0.877 -0.091 12.162 1.00 0.00 H new ATOM 0 HB1 ALA A 140 -0.676 1.094 10.643 1.00 0.00 H new ATOM 0 HB2 ALA A 140 0.017 -0.355 9.879 1.00 0.00 H new ATOM 0 HB3 ALA A 140 -1.651 -0.387 10.496 1.00 0.00 H new