USER MOD reduce.3.24.130724 H: found=0, std=0, add=584, rem=0, adj=8 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 Set 1.1: A 125 MET CE :methyl 161:sc= 0 (180deg=0) USER MOD Set 1.2: A 128 SER OG : rot -64:sc= -0.23 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 :FLIP no HD1:sc= -1.38 F(o=-2.6!,f=-1.4) USER MOD Single : A 91 THR OG1 : rot -139:sc= -0.426 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= -0.699 USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 HIS : no HD1:sc= -3.65 K(o=-3.6,f=-4.7) USER MOD Single : A 124 ASN : amide:sc= -0.0928 X(o=-0.093,f=-0.052) USER MOD Single : A 126 ASN : amide:sc= -0.0132 X(o=-0.013,f=-0.47) USER MOD Single : A 134 THR OG1 : rot 180:sc= 0 USER MOD Single : A 138 ASN : amide:sc= -2.36! C(o=-2.4!,f=-4.8!) USER MOD ----------------------------------------------------------------- ATOM 882 N ARG A 64 -6.733 -3.945 12.206 1.00 0.00 N ATOM 883 CA ARG A 64 -6.964 -4.550 10.888 1.00 0.00 C ATOM 884 C ARG A 64 -6.120 -3.861 9.800 1.00 0.00 C ATOM 885 O ARG A 64 -6.199 -4.223 8.621 1.00 0.00 O ATOM 886 CB ARG A 64 -8.455 -4.481 10.520 1.00 0.00 C ATOM 887 CG ARG A 64 -9.375 -5.254 11.461 1.00 0.00 C ATOM 888 CD ARG A 64 -10.820 -5.266 10.971 1.00 0.00 C ATOM 889 NE ARG A 64 -11.423 -3.925 10.958 1.00 0.00 N ATOM 890 CZ ARG A 64 -12.287 -3.466 11.876 1.00 0.00 C ATOM 891 NH1 ARG A 64 -12.670 -4.224 12.902 1.00 0.00 N ATOM 892 NH2 ARG A 64 -12.771 -2.237 11.762 1.00 0.00 N ATOM 0 HA ARG A 64 -6.658 -5.595 10.944 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -8.765 -3.436 10.506 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -8.585 -4.865 9.508 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -9.017 -6.279 11.556 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -9.334 -4.808 12.455 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -10.856 -5.686 9.966 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -11.412 -5.920 11.611 1.00 0.00 H new ATOM 0 HE ARG A 64 -11.166 -3.298 10.196 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -12.305 -5.172 13.000 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -13.328 -3.857 13.590 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -12.486 -1.647 10.980 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -13.428 -1.881 12.456 1.00 0.00 H new ATOM 906 N VAL A 65 -5.304 -2.879 10.213 1.00 0.00 N ATOM 907 CA VAL A 65 -4.443 -2.126 9.289 1.00 0.00 C ATOM 908 C VAL A 65 -2.995 -2.606 9.427 1.00 0.00 C ATOM 909 O VAL A 65 -2.499 -2.780 10.543 1.00 0.00 O ATOM 910 CB VAL A 65 -4.519 -0.588 9.545 1.00 0.00 C ATOM 911 CG1 VAL A 65 -3.888 0.202 8.399 1.00 0.00 C ATOM 912 CG2 VAL A 65 -5.960 -0.131 9.760 1.00 0.00 C ATOM 0 H VAL A 65 -5.223 -2.587 11.187 1.00 0.00 H new ATOM 0 HA VAL A 65 -4.800 -2.309 8.276 1.00 0.00 H new ATOM 0 HB VAL A 65 -3.952 -0.389 10.454 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -3.959 1.269 8.610 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -2.840 -0.079 8.297 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -4.415 -0.020 7.471 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -5.978 0.945 9.936 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -6.552 -0.364 8.875 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -6.380 -0.647 10.623 1.00 0.00 H new ATOM 922 N LEU A 66 -2.331 -2.819 8.284 1.00 0.00 N ATOM 923 CA LEU A 66 -0.946 -3.307 8.268 1.00 0.00 C ATOM 924 C LEU A 66 -0.034 -2.356 7.493 1.00 0.00 C ATOM 925 O LEU A 66 -0.490 -1.625 6.609 1.00 0.00 O ATOM 926 CB LEU A 66 -0.853 -4.730 7.663 1.00 0.00 C ATOM 927 CG LEU A 66 -2.145 -5.569 7.634 1.00 0.00 C ATOM 928 CD1 LEU A 66 -1.961 -6.781 6.735 1.00 0.00 C ATOM 929 CD2 LEU A 66 -2.554 -6.009 9.037 1.00 0.00 C ATOM 0 H LEU A 66 -2.730 -2.661 7.359 1.00 0.00 H new ATOM 0 HA LEU A 66 -0.611 -3.349 9.304 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -0.486 -4.639 6.641 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -0.101 -5.287 8.223 1.00 0.00 H new ATOM 0 HG LEU A 66 -2.944 -4.944 7.234 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -2.880 -7.367 6.722 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -1.726 -6.451 5.723 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -1.145 -7.395 7.115 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -3.469 -6.599 8.981 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -1.759 -6.613 9.475 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -2.726 -5.130 9.658 1.00 0.00 H new ATOM 941 N TYR A 67 1.257 -2.383 7.841 1.00 0.00 N ATOM 942 CA TYR A 67 2.273 -1.564 7.184 1.00 0.00 C ATOM 943 C TYR A 67 2.941 -2.368 6.075 1.00 0.00 C ATOM 944 O TYR A 67 3.286 -3.529 6.277 1.00 0.00 O ATOM 945 CB TYR A 67 3.334 -1.093 8.209 1.00 0.00 C ATOM 946 CG TYR A 67 4.560 -0.414 7.601 1.00 0.00 C ATOM 947 CD1 TYR A 67 4.590 0.957 7.381 1.00 0.00 C ATOM 948 CD2 TYR A 67 5.683 -1.160 7.238 1.00 0.00 C ATOM 949 CE1 TYR A 67 5.697 1.566 6.819 1.00 0.00 C ATOM 950 CE2 TYR A 67 6.794 -0.559 6.673 1.00 0.00 C ATOM 951 CZ TYR A 67 6.796 0.805 6.467 1.00 0.00 C ATOM 952 OH TYR A 67 7.896 1.411 5.906 1.00 0.00 O ATOM 0 H TYR A 67 1.624 -2.975 8.587 1.00 0.00 H new ATOM 0 HA TYR A 67 1.793 -0.685 6.754 1.00 0.00 H new ATOM 0 HB2 TYR A 67 2.862 -0.401 8.906 1.00 0.00 H new ATOM 0 HB3 TYR A 67 3.664 -1.954 8.790 1.00 0.00 H new ATOM 0 HD1 TYR A 67 3.735 1.557 7.653 1.00 0.00 H new ATOM 0 HD2 TYR A 67 5.685 -2.228 7.401 1.00 0.00 H new ATOM 0 HE1 TYR A 67 5.703 2.634 6.655 1.00 0.00 H new ATOM 0 HE2 TYR A 67 7.652 -1.153 6.396 1.00 0.00 H new ATOM 0 HH TYR A 67 8.581 0.736 5.718 1.00 0.00 H new ATOM 962 N VAL A 68 3.101 -1.745 4.913 1.00 0.00 N ATOM 963 CA VAL A 68 3.773 -2.385 3.786 1.00 0.00 C ATOM 964 C VAL A 68 4.768 -1.412 3.161 1.00 0.00 C ATOM 965 O VAL A 68 4.377 -0.379 2.610 1.00 0.00 O ATOM 966 CB VAL A 68 2.785 -2.934 2.710 1.00 0.00 C ATOM 967 CG1 VAL A 68 2.196 -4.257 3.172 1.00 0.00 C ATOM 968 CG2 VAL A 68 1.662 -1.950 2.376 1.00 0.00 C ATOM 0 H VAL A 68 2.775 -0.797 4.726 1.00 0.00 H new ATOM 0 HA VAL A 68 4.302 -3.254 4.178 1.00 0.00 H new ATOM 0 HB VAL A 68 3.361 -3.081 1.796 1.00 0.00 H new ATOM 0 HG11 VAL A 68 1.508 -4.633 2.415 1.00 0.00 H new ATOM 0 HG12 VAL A 68 2.998 -4.979 3.324 1.00 0.00 H new ATOM 0 HG13 VAL A 68 1.659 -4.109 4.109 1.00 0.00 H new ATOM 0 HG21 VAL A 68 1.007 -2.387 1.622 1.00 0.00 H new ATOM 0 HG22 VAL A 68 1.086 -1.736 3.276 1.00 0.00 H new ATOM 0 HG23 VAL A 68 2.091 -1.025 1.991 1.00 0.00 H new ATOM 978 N GLY A 69 6.053 -1.759 3.258 1.00 0.00 N ATOM 979 CA GLY A 69 7.105 -0.914 2.723 1.00 0.00 C ATOM 980 C GLY A 69 8.110 -1.688 1.907 1.00 0.00 C ATOM 981 O GLY A 69 8.397 -2.847 2.206 1.00 0.00 O ATOM 0 H GLY A 69 6.382 -2.617 3.701 1.00 0.00 H new ATOM 0 HA2 GLY A 69 6.661 -0.135 2.103 1.00 0.00 H new ATOM 0 HA3 GLY A 69 7.617 -0.413 3.545 1.00 0.00 H new ATOM 985 N GLY A 70 8.649 -1.030 0.880 1.00 0.00 N ATOM 986 CA GLY A 70 9.627 -1.657 0.005 1.00 0.00 C ATOM 987 C GLY A 70 9.075 -1.923 -1.384 1.00 0.00 C ATOM 988 O GLY A 70 9.570 -2.800 -2.094 1.00 0.00 O ATOM 0 H GLY A 70 8.422 -0.065 0.638 1.00 0.00 H new ATOM 0 HA2 GLY A 70 10.505 -1.016 -0.073 1.00 0.00 H new ATOM 0 HA3 GLY A 70 9.957 -2.597 0.448 1.00 0.00 H new ATOM 992 N LEU A 71 8.040 -1.160 -1.762 1.00 0.00 N ATOM 993 CA LEU A 71 7.401 -1.292 -3.074 1.00 0.00 C ATOM 994 C LEU A 71 8.024 -0.312 -4.067 1.00 0.00 C ATOM 995 O LEU A 71 8.730 0.622 -3.674 1.00 0.00 O ATOM 996 CB LEU A 71 5.874 -1.038 -3.012 1.00 0.00 C ATOM 997 CG LEU A 71 5.142 -1.425 -1.720 1.00 0.00 C ATOM 998 CD1 LEU A 71 5.241 -0.314 -0.690 1.00 0.00 C ATOM 999 CD2 LEU A 71 3.685 -1.715 -2.022 1.00 0.00 C ATOM 0 H LEU A 71 7.626 -0.440 -1.170 1.00 0.00 H new ATOM 0 HA LEU A 71 7.564 -2.319 -3.401 1.00 0.00 H new ATOM 0 HB2 LEU A 71 5.702 0.024 -3.190 1.00 0.00 H new ATOM 0 HB3 LEU A 71 5.410 -1.579 -3.836 1.00 0.00 H new ATOM 0 HG LEU A 71 5.614 -2.318 -1.311 1.00 0.00 H new ATOM 0 HD11 LEU A 71 4.715 -0.611 0.217 1.00 0.00 H new ATOM 0 HD12 LEU A 71 6.289 -0.126 -0.457 1.00 0.00 H new ATOM 0 HD13 LEU A 71 4.790 0.594 -1.090 1.00 0.00 H new ATOM 0 HD21 LEU A 71 3.170 -1.989 -1.101 1.00 0.00 H new ATOM 0 HD22 LEU A 71 3.218 -0.827 -2.448 1.00 0.00 H new ATOM 0 HD23 LEU A 71 3.618 -2.538 -2.734 1.00 0.00 H new ATOM 1011 N ALA A 72 7.753 -0.541 -5.354 1.00 0.00 N ATOM 1012 CA ALA A 72 8.265 0.309 -6.431 1.00 0.00 C ATOM 1013 C ALA A 72 7.412 1.569 -6.589 1.00 0.00 C ATOM 1014 O ALA A 72 6.221 1.561 -6.279 1.00 0.00 O ATOM 1015 CB ALA A 72 8.299 -0.468 -7.737 1.00 0.00 C ATOM 0 H ALA A 72 7.175 -1.317 -5.678 1.00 0.00 H new ATOM 0 HA ALA A 72 9.278 0.616 -6.171 1.00 0.00 H new ATOM 0 HB1 ALA A 72 8.681 0.173 -8.532 1.00 0.00 H new ATOM 0 HB2 ALA A 72 8.949 -1.336 -7.627 1.00 0.00 H new ATOM 0 HB3 ALA A 72 7.292 -0.798 -7.990 1.00 0.00 H new ATOM 1021 N GLU A 73 8.039 2.649 -7.069 1.00 0.00 N ATOM 1022 CA GLU A 73 7.354 3.934 -7.284 1.00 0.00 C ATOM 1023 C GLU A 73 6.231 3.813 -8.332 1.00 0.00 C ATOM 1024 O GLU A 73 5.233 4.538 -8.272 1.00 0.00 O ATOM 1025 CB GLU A 73 8.379 4.996 -7.712 1.00 0.00 C ATOM 1026 CG GLU A 73 7.823 6.412 -7.763 1.00 0.00 C ATOM 1027 CD GLU A 73 8.882 7.449 -8.083 1.00 0.00 C ATOM 1028 OE1 GLU A 73 9.753 7.695 -7.223 1.00 0.00 O ATOM 1029 OE2 GLU A 73 8.839 8.015 -9.196 1.00 0.00 O ATOM 0 H GLU A 73 9.028 2.660 -7.318 1.00 0.00 H new ATOM 0 HA GLU A 73 6.888 4.235 -6.346 1.00 0.00 H new ATOM 0 HB2 GLU A 73 9.221 4.973 -7.020 1.00 0.00 H new ATOM 0 HB3 GLU A 73 8.768 4.734 -8.696 1.00 0.00 H new ATOM 0 HG2 GLU A 73 7.035 6.461 -8.514 1.00 0.00 H new ATOM 0 HG3 GLU A 73 7.364 6.652 -6.804 1.00 0.00 H new ATOM 1036 N GLU A 74 6.421 2.893 -9.277 1.00 0.00 N ATOM 1037 CA GLU A 74 5.460 2.649 -10.362 1.00 0.00 C ATOM 1038 C GLU A 74 4.276 1.761 -9.928 1.00 0.00 C ATOM 1039 O GLU A 74 3.469 1.349 -10.771 1.00 0.00 O ATOM 1040 CB GLU A 74 6.175 2.014 -11.567 1.00 0.00 C ATOM 1041 CG GLU A 74 7.192 2.927 -12.241 1.00 0.00 C ATOM 1042 CD GLU A 74 7.810 2.298 -13.474 1.00 0.00 C ATOM 1043 OE1 GLU A 74 8.675 1.410 -13.319 1.00 0.00 O ATOM 1044 OE2 GLU A 74 7.428 2.692 -14.596 1.00 0.00 O ATOM 0 H GLU A 74 7.245 2.293 -9.316 1.00 0.00 H new ATOM 0 HA GLU A 74 5.046 3.618 -10.640 1.00 0.00 H new ATOM 0 HB2 GLU A 74 6.680 1.106 -11.238 1.00 0.00 H new ATOM 0 HB3 GLU A 74 5.428 1.715 -12.302 1.00 0.00 H new ATOM 0 HG2 GLU A 74 6.707 3.863 -12.519 1.00 0.00 H new ATOM 0 HG3 GLU A 74 7.980 3.175 -11.530 1.00 0.00 H new ATOM 1051 N VAL A 75 4.155 1.482 -8.615 1.00 0.00 N ATOM 1052 CA VAL A 75 3.053 0.641 -8.113 1.00 0.00 C ATOM 1053 C VAL A 75 1.839 1.502 -7.742 1.00 0.00 C ATOM 1054 O VAL A 75 1.985 2.567 -7.133 1.00 0.00 O ATOM 1055 CB VAL A 75 3.465 -0.288 -6.911 1.00 0.00 C ATOM 1056 CG1 VAL A 75 4.790 -0.993 -7.182 1.00 0.00 C ATOM 1057 CG2 VAL A 75 3.522 0.454 -5.574 1.00 0.00 C ATOM 0 H VAL A 75 4.794 1.820 -7.896 1.00 0.00 H new ATOM 0 HA VAL A 75 2.785 -0.026 -8.932 1.00 0.00 H new ATOM 0 HB VAL A 75 2.678 -1.037 -6.828 1.00 0.00 H new ATOM 0 HG11 VAL A 75 5.045 -1.626 -6.333 1.00 0.00 H new ATOM 0 HG12 VAL A 75 4.699 -1.607 -8.078 1.00 0.00 H new ATOM 0 HG13 VAL A 75 5.574 -0.250 -7.329 1.00 0.00 H new ATOM 0 HG21 VAL A 75 3.811 -0.240 -4.785 1.00 0.00 H new ATOM 0 HG22 VAL A 75 4.254 1.259 -5.636 1.00 0.00 H new ATOM 0 HG23 VAL A 75 2.541 0.872 -5.348 1.00 0.00 H new ATOM 1067 N ASP A 76 0.653 1.029 -8.126 1.00 0.00 N ATOM 1068 CA ASP A 76 -0.599 1.738 -7.851 1.00 0.00 C ATOM 1069 C ASP A 76 -1.402 1.014 -6.766 1.00 0.00 C ATOM 1070 O ASP A 76 -1.015 -0.072 -6.322 1.00 0.00 O ATOM 1071 CB ASP A 76 -1.433 1.873 -9.139 1.00 0.00 C ATOM 1072 CG ASP A 76 -0.771 2.746 -10.197 1.00 0.00 C ATOM 1073 OD1 ASP A 76 -0.176 3.786 -9.835 1.00 0.00 O ATOM 1074 OD2 ASP A 76 -0.850 2.388 -11.392 1.00 0.00 O ATOM 0 H ASP A 76 0.532 0.152 -8.632 1.00 0.00 H new ATOM 0 HA ASP A 76 -0.356 2.737 -7.488 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -1.609 0.881 -9.555 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -2.408 2.292 -8.890 1.00 0.00 H new ATOM 1079 N ASP A 77 -2.525 1.623 -6.341 1.00 0.00 N ATOM 1080 CA ASP A 77 -3.401 1.043 -5.305 1.00 0.00 C ATOM 1081 C ASP A 77 -3.978 -0.312 -5.745 1.00 0.00 C ATOM 1082 O ASP A 77 -4.281 -1.171 -4.913 1.00 0.00 O ATOM 1083 CB ASP A 77 -4.532 2.029 -4.936 1.00 0.00 C ATOM 1084 CG ASP A 77 -5.420 2.430 -6.113 1.00 0.00 C ATOM 1085 OD1 ASP A 77 -4.877 2.831 -7.165 1.00 0.00 O ATOM 1086 OD2 ASP A 77 -6.659 2.339 -5.976 1.00 0.00 O ATOM 0 H ASP A 77 -2.848 2.521 -6.701 1.00 0.00 H new ATOM 0 HA ASP A 77 -2.793 0.866 -4.418 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -5.154 1.578 -4.163 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -4.090 2.928 -4.506 1.00 0.00 H new ATOM 1091 N LYS A 78 -4.119 -0.476 -7.070 1.00 0.00 N ATOM 1092 CA LYS A 78 -4.642 -1.706 -7.685 1.00 0.00 C ATOM 1093 C LYS A 78 -3.651 -2.855 -7.502 1.00 0.00 C ATOM 1094 O LYS A 78 -4.036 -4.001 -7.256 1.00 0.00 O ATOM 1095 CB LYS A 78 -4.886 -1.474 -9.180 1.00 0.00 C ATOM 1096 CG LYS A 78 -5.912 -0.394 -9.479 1.00 0.00 C ATOM 1097 CD LYS A 78 -6.062 -0.181 -10.970 1.00 0.00 C ATOM 1098 CE LYS A 78 -6.979 0.993 -11.270 1.00 0.00 C ATOM 1099 NZ LYS A 78 -6.869 1.437 -12.686 1.00 0.00 N ATOM 0 H LYS A 78 -3.872 0.245 -7.748 1.00 0.00 H new ATOM 0 HA LYS A 78 -5.581 -1.968 -7.198 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -3.942 -1.205 -9.654 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -5.215 -2.409 -9.633 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -6.874 -0.674 -9.050 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -5.611 0.540 -9.004 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -5.083 -0.003 -11.415 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -6.462 -1.085 -11.430 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -8.010 0.711 -11.057 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -6.733 1.824 -10.609 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -7.510 2.239 -12.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -5.891 1.730 -12.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -7.129 0.652 -13.317 1.00 0.00 H new ATOM 1113 N VAL A 79 -2.361 -2.506 -7.634 1.00 0.00 N ATOM 1114 CA VAL A 79 -1.244 -3.430 -7.488 1.00 0.00 C ATOM 1115 C VAL A 79 -1.151 -3.964 -6.045 1.00 0.00 C ATOM 1116 O VAL A 79 -1.031 -5.175 -5.830 1.00 0.00 O ATOM 1117 CB VAL A 79 0.083 -2.708 -7.871 1.00 0.00 C ATOM 1118 CG1 VAL A 79 1.258 -3.652 -7.832 1.00 0.00 C ATOM 1119 CG2 VAL A 79 -0.003 -2.056 -9.246 1.00 0.00 C ATOM 0 H VAL A 79 -2.068 -1.553 -7.849 1.00 0.00 H new ATOM 0 HA VAL A 79 -1.408 -4.277 -8.154 1.00 0.00 H new ATOM 0 HB VAL A 79 0.235 -1.927 -7.126 1.00 0.00 H new ATOM 0 HG11 VAL A 79 2.166 -3.114 -8.105 1.00 0.00 H new ATOM 0 HG12 VAL A 79 1.365 -4.058 -6.826 1.00 0.00 H new ATOM 0 HG13 VAL A 79 1.094 -4.467 -8.537 1.00 0.00 H new ATOM 0 HG21 VAL A 79 0.942 -1.564 -9.475 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -0.207 -2.818 -9.998 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -0.806 -1.319 -9.250 1.00 0.00 H new ATOM 1129 N LEU A 80 -1.227 -3.042 -5.070 1.00 0.00 N ATOM 1130 CA LEU A 80 -1.149 -3.389 -3.645 1.00 0.00 C ATOM 1131 C LEU A 80 -2.377 -4.199 -3.198 1.00 0.00 C ATOM 1132 O LEU A 80 -2.258 -5.134 -2.398 1.00 0.00 O ATOM 1133 CB LEU A 80 -1.027 -2.114 -2.798 1.00 0.00 C ATOM 1134 CG LEU A 80 -0.264 -2.267 -1.472 1.00 0.00 C ATOM 1135 CD1 LEU A 80 0.375 -0.945 -1.077 1.00 0.00 C ATOM 1136 CD2 LEU A 80 -1.181 -2.767 -0.361 1.00 0.00 C ATOM 0 H LEU A 80 -1.343 -2.044 -5.247 1.00 0.00 H new ATOM 0 HA LEU A 80 -0.264 -4.008 -3.498 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -0.531 -1.349 -3.395 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -2.030 -1.748 -2.579 1.00 0.00 H new ATOM 0 HG LEU A 80 0.521 -3.009 -1.618 1.00 0.00 H new ATOM 0 HD11 LEU A 80 0.912 -1.067 -0.136 1.00 0.00 H new ATOM 0 HD12 LEU A 80 1.071 -0.631 -1.854 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -0.400 -0.188 -0.957 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -0.612 -2.865 0.564 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -1.994 -2.057 -0.213 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -1.593 -3.737 -0.638 1.00 0.00 H new ATOM 1148 N HIS A 81 -3.551 -3.826 -3.735 1.00 0.00 N ATOM 1149 CA HIS A 81 -4.827 -4.486 -3.422 1.00 0.00 C ATOM 1150 C HIS A 81 -4.873 -5.923 -3.978 1.00 0.00 C ATOM 1151 O HIS A 81 -5.211 -6.865 -3.257 1.00 0.00 O ATOM 1152 CB HIS A 81 -5.985 -3.650 -3.998 1.00 0.00 C ATOM 1153 CG HIS A 81 -7.333 -3.954 -3.410 1.00 0.00 C ATOM 1154 ND1 HIS A 81 -8.233 -4.921 -3.709 1.00 0.00 N flip ATOM 1155 CD2 HIS A 81 -7.898 -3.209 -2.397 1.00 0.00 C flip ATOM 1156 CE1 HIS A 81 -9.314 -4.741 -2.882 1.00 0.00 C flip ATOM 1157 NE2 HIS A 81 -9.088 -3.703 -2.100 1.00 0.00 N flip ATOM 0 H HIS A 81 -3.641 -3.057 -4.399 1.00 0.00 H new ATOM 0 HA HIS A 81 -4.925 -4.554 -2.339 1.00 0.00 H new ATOM 0 HB2 HIS A 81 -5.765 -2.594 -3.841 1.00 0.00 H new ATOM 0 HB3 HIS A 81 -6.029 -3.810 -5.075 1.00 0.00 H new ATOM 0 HD2 HIS A 81 -7.440 -2.355 -1.920 1.00 0.00 H new ATOM 0 HE1 HIS A 81 -10.205 -5.351 -2.873 1.00 0.00 H new ATOM 0 HE2 HIS A 81 -9.723 -3.343 -1.388 1.00 0.00 H new ATOM 1166 N ALA A 82 -4.515 -6.066 -5.264 1.00 0.00 N ATOM 1167 CA ALA A 82 -4.511 -7.361 -5.959 1.00 0.00 C ATOM 1168 C ALA A 82 -3.398 -8.305 -5.479 1.00 0.00 C ATOM 1169 O ALA A 82 -3.489 -9.520 -5.676 1.00 0.00 O ATOM 1170 CB ALA A 82 -4.395 -7.143 -7.460 1.00 0.00 C ATOM 0 H ALA A 82 -4.220 -5.286 -5.851 1.00 0.00 H new ATOM 0 HA ALA A 82 -5.457 -7.847 -5.720 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -4.393 -8.107 -7.969 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -5.241 -6.551 -7.808 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -3.468 -6.614 -7.680 1.00 0.00 H new ATOM 1176 N ALA A 83 -2.353 -7.740 -4.851 1.00 0.00 N ATOM 1177 CA ALA A 83 -1.210 -8.521 -4.370 1.00 0.00 C ATOM 1178 C ALA A 83 -1.487 -9.117 -2.996 1.00 0.00 C ATOM 1179 O ALA A 83 -1.025 -10.216 -2.676 1.00 0.00 O ATOM 1180 CB ALA A 83 0.036 -7.647 -4.320 1.00 0.00 C ATOM 0 H ALA A 83 -2.280 -6.740 -4.666 1.00 0.00 H new ATOM 0 HA ALA A 83 -1.045 -9.343 -5.067 1.00 0.00 H new ATOM 0 HB1 ALA A 83 0.880 -8.236 -3.961 1.00 0.00 H new ATOM 0 HB2 ALA A 83 0.256 -7.269 -5.319 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -0.134 -6.809 -3.644 1.00 0.00 H new ATOM 1186 N PHE A 84 -2.249 -8.370 -2.199 1.00 0.00 N ATOM 1187 CA PHE A 84 -2.605 -8.776 -0.849 1.00 0.00 C ATOM 1188 C PHE A 84 -4.047 -9.294 -0.754 1.00 0.00 C ATOM 1189 O PHE A 84 -4.508 -9.659 0.335 1.00 0.00 O ATOM 1190 CB PHE A 84 -2.398 -7.594 0.092 1.00 0.00 C ATOM 1191 CG PHE A 84 -0.953 -7.326 0.414 1.00 0.00 C ATOM 1192 CD1 PHE A 84 -0.335 -7.969 1.476 1.00 0.00 C ATOM 1193 CD2 PHE A 84 -0.213 -6.437 -0.349 1.00 0.00 C ATOM 1194 CE1 PHE A 84 0.994 -7.730 1.769 1.00 0.00 C ATOM 1195 CE2 PHE A 84 1.116 -6.195 -0.059 1.00 0.00 C ATOM 1196 CZ PHE A 84 1.720 -6.842 1.001 1.00 0.00 C ATOM 0 H PHE A 84 -2.635 -7.467 -2.475 1.00 0.00 H new ATOM 0 HA PHE A 84 -1.959 -9.605 -0.560 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -2.833 -6.702 -0.358 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -2.940 -7.779 1.019 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -0.899 -8.664 2.081 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -0.680 -5.928 -1.179 1.00 0.00 H new ATOM 0 HE1 PHE A 84 1.464 -8.238 2.598 1.00 0.00 H new ATOM 0 HE2 PHE A 84 1.682 -5.500 -0.661 1.00 0.00 H new ATOM 0 HZ PHE A 84 2.759 -6.654 1.229 1.00 0.00 H new ATOM 1206 N ILE A 85 -4.752 -9.340 -1.899 1.00 0.00 N ATOM 1207 CA ILE A 85 -6.142 -9.818 -1.951 1.00 0.00 C ATOM 1208 C ILE A 85 -6.278 -11.357 -1.703 1.00 0.00 C ATOM 1209 O ILE A 85 -7.298 -11.771 -1.143 1.00 0.00 O ATOM 1210 CB ILE A 85 -6.859 -9.365 -3.278 1.00 0.00 C ATOM 1211 CG1 ILE A 85 -8.390 -9.478 -3.155 1.00 0.00 C ATOM 1212 CG2 ILE A 85 -6.375 -10.128 -4.512 1.00 0.00 C ATOM 1213 CD1 ILE A 85 -9.050 -8.286 -2.487 1.00 0.00 C ATOM 0 H ILE A 85 -4.378 -9.050 -2.803 1.00 0.00 H new ATOM 0 HA ILE A 85 -6.659 -9.342 -1.118 1.00 0.00 H new ATOM 0 HB ILE A 85 -6.588 -8.319 -3.419 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -8.815 -9.604 -4.151 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -8.632 -10.378 -2.589 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -6.907 -9.770 -5.393 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -5.305 -9.966 -4.643 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -6.567 -11.193 -4.380 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -10.127 -8.446 -2.440 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -8.656 -8.171 -1.477 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -8.841 -7.384 -3.063 1.00 0.00 H new ATOM 1225 N PRO A 86 -5.284 -12.237 -2.098 1.00 0.00 N ATOM 1226 CA PRO A 86 -5.393 -13.700 -1.863 1.00 0.00 C ATOM 1227 C PRO A 86 -5.523 -14.086 -0.381 1.00 0.00 C ATOM 1228 O PRO A 86 -6.040 -15.161 -0.064 1.00 0.00 O ATOM 1229 CB PRO A 86 -4.082 -14.265 -2.427 1.00 0.00 C ATOM 1230 CG PRO A 86 -3.606 -13.239 -3.391 1.00 0.00 C ATOM 1231 CD PRO A 86 -4.018 -11.918 -2.811 1.00 0.00 C ATOM 0 HA PRO A 86 -6.295 -14.091 -2.333 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -3.351 -14.433 -1.636 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -4.245 -15.224 -2.919 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -2.525 -13.291 -3.517 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -4.049 -13.390 -4.375 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -3.262 -11.524 -2.132 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -4.171 -11.168 -3.587 1.00 0.00 H new ATOM 1239 N PHE A 87 -5.054 -13.202 0.519 1.00 0.00 N ATOM 1240 CA PHE A 87 -5.105 -13.456 1.972 1.00 0.00 C ATOM 1241 C PHE A 87 -6.490 -13.168 2.563 1.00 0.00 C ATOM 1242 O PHE A 87 -6.899 -13.816 3.531 1.00 0.00 O ATOM 1243 CB PHE A 87 -4.057 -12.616 2.720 1.00 0.00 C ATOM 1244 CG PHE A 87 -2.662 -12.739 2.171 1.00 0.00 C ATOM 1245 CD1 PHE A 87 -1.809 -13.726 2.632 1.00 0.00 C ATOM 1246 CD2 PHE A 87 -2.214 -11.877 1.179 1.00 0.00 C ATOM 1247 CE1 PHE A 87 -0.532 -13.852 2.121 1.00 0.00 C ATOM 1248 CE2 PHE A 87 -0.937 -12.001 0.664 1.00 0.00 C ATOM 1249 CZ PHE A 87 -0.096 -12.989 1.136 1.00 0.00 C ATOM 0 H PHE A 87 -4.636 -12.307 0.267 1.00 0.00 H new ATOM 0 HA PHE A 87 -4.886 -14.516 2.103 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -4.357 -11.569 2.688 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -4.050 -12.914 3.769 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -2.146 -14.406 3.401 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -2.869 -11.103 0.807 1.00 0.00 H new ATOM 0 HE1 PHE A 87 0.125 -14.625 2.492 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -0.597 -11.325 -0.107 1.00 0.00 H new ATOM 0 HZ PHE A 87 0.902 -13.086 0.735 1.00 0.00 H new ATOM 1259 N GLY A 88 -7.199 -12.198 1.973 1.00 0.00 N ATOM 1260 CA GLY A 88 -8.525 -11.830 2.452 1.00 0.00 C ATOM 1261 C GLY A 88 -9.090 -10.617 1.742 1.00 0.00 C ATOM 1262 O GLY A 88 -8.546 -10.174 0.725 1.00 0.00 O ATOM 0 H GLY A 88 -6.874 -11.661 1.169 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -9.202 -12.673 2.316 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -8.477 -11.629 3.522 1.00 0.00 H new ATOM 1266 N ASP A 89 -10.191 -10.080 2.287 1.00 0.00 N ATOM 1267 CA ASP A 89 -10.854 -8.899 1.722 1.00 0.00 C ATOM 1268 C ASP A 89 -10.177 -7.614 2.194 1.00 0.00 C ATOM 1269 O ASP A 89 -9.884 -7.459 3.383 1.00 0.00 O ATOM 1270 CB ASP A 89 -12.340 -8.877 2.111 1.00 0.00 C ATOM 1271 CG ASP A 89 -13.140 -10.023 1.506 1.00 0.00 C ATOM 1272 OD1 ASP A 89 -12.910 -10.361 0.323 1.00 0.00 O ATOM 1273 OD2 ASP A 89 -14.000 -10.583 2.218 1.00 0.00 O ATOM 0 H ASP A 89 -10.642 -10.449 3.124 1.00 0.00 H new ATOM 0 HA ASP A 89 -10.771 -8.957 0.637 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -12.424 -8.918 3.197 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -12.777 -7.931 1.793 1.00 0.00 H new ATOM 1278 N ILE A 90 -9.936 -6.703 1.249 1.00 0.00 N ATOM 1279 CA ILE A 90 -9.289 -5.422 1.544 1.00 0.00 C ATOM 1280 C ILE A 90 -10.278 -4.276 1.318 1.00 0.00 C ATOM 1281 O ILE A 90 -11.064 -4.303 0.366 1.00 0.00 O ATOM 1282 CB ILE A 90 -8.001 -5.212 0.686 1.00 0.00 C ATOM 1283 CG1 ILE A 90 -7.033 -6.393 0.872 1.00 0.00 C ATOM 1284 CG2 ILE A 90 -7.297 -3.900 1.054 1.00 0.00 C ATOM 1285 CD1 ILE A 90 -6.231 -6.731 -0.369 1.00 0.00 C ATOM 0 H ILE A 90 -10.181 -6.830 0.267 1.00 0.00 H new ATOM 0 HA ILE A 90 -8.983 -5.432 2.590 1.00 0.00 H new ATOM 0 HB ILE A 90 -8.304 -5.158 -0.360 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -6.345 -6.162 1.685 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -7.602 -7.272 1.176 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -6.404 -3.782 0.440 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -7.972 -3.063 0.877 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -7.014 -3.922 2.106 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -5.572 -7.573 -0.158 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -6.910 -6.995 -1.180 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -5.634 -5.868 -0.662 1.00 0.00 H new ATOM 1297 N THR A 91 -10.222 -3.279 2.206 1.00 0.00 N ATOM 1298 CA THR A 91 -11.111 -2.119 2.137 1.00 0.00 C ATOM 1299 C THR A 91 -10.512 -0.978 1.307 1.00 0.00 C ATOM 1300 O THR A 91 -11.054 -0.635 0.252 1.00 0.00 O ATOM 1301 CB THR A 91 -11.479 -1.595 3.547 1.00 0.00 C ATOM 1302 OG1 THR A 91 -10.447 -1.921 4.489 1.00 0.00 O ATOM 1303 CG2 THR A 91 -12.801 -2.187 4.014 1.00 0.00 C ATOM 0 H THR A 91 -9.565 -3.254 2.986 1.00 0.00 H new ATOM 0 HA THR A 91 -12.018 -2.465 1.641 1.00 0.00 H new ATOM 0 HB THR A 91 -11.579 -0.511 3.487 1.00 0.00 H new ATOM 0 HG1 THR A 91 -10.853 -2.207 5.333 1.00 0.00 H new ATOM 0 HG21 THR A 91 -13.040 -1.805 5.007 1.00 0.00 H new ATOM 0 HG22 THR A 91 -13.591 -1.907 3.318 1.00 0.00 H new ATOM 0 HG23 THR A 91 -12.720 -3.273 4.053 1.00 0.00 H new ATOM 1311 N ASP A 92 -9.395 -0.392 1.782 1.00 0.00 N ATOM 1312 CA ASP A 92 -8.743 0.725 1.082 1.00 0.00 C ATOM 1313 C ASP A 92 -7.221 0.688 1.221 1.00 0.00 C ATOM 1314 O ASP A 92 -6.688 0.141 2.192 1.00 0.00 O ATOM 1315 CB ASP A 92 -9.260 2.072 1.626 1.00 0.00 C ATOM 1316 CG ASP A 92 -10.724 2.334 1.302 1.00 0.00 C ATOM 1317 OD1 ASP A 92 -11.150 2.048 0.161 1.00 0.00 O ATOM 1318 OD2 ASP A 92 -11.446 2.829 2.194 1.00 0.00 O ATOM 0 H ASP A 92 -8.929 -0.675 2.644 1.00 0.00 H new ATOM 0 HA ASP A 92 -8.992 0.622 0.026 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -9.125 2.094 2.707 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -8.654 2.879 1.213 1.00 0.00 H new ATOM 1323 N ILE A 93 -6.538 1.280 0.232 1.00 0.00 N ATOM 1324 CA ILE A 93 -5.074 1.379 0.220 1.00 0.00 C ATOM 1325 C ILE A 93 -4.690 2.861 0.245 1.00 0.00 C ATOM 1326 O ILE A 93 -5.190 3.642 -0.571 1.00 0.00 O ATOM 1327 CB ILE A 93 -4.428 0.693 -1.039 1.00 0.00 C ATOM 1328 CG1 ILE A 93 -4.903 -0.775 -1.246 1.00 0.00 C ATOM 1329 CG2 ILE A 93 -2.895 0.743 -0.975 1.00 0.00 C ATOM 1330 CD1 ILE A 93 -4.866 -1.669 -0.011 1.00 0.00 C ATOM 0 H ILE A 93 -6.985 1.703 -0.581 1.00 0.00 H new ATOM 0 HA ILE A 93 -4.694 0.855 1.097 1.00 0.00 H new ATOM 0 HB ILE A 93 -4.771 1.268 -1.899 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -5.925 -0.755 -1.626 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -4.284 -1.231 -2.019 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -2.478 0.261 -1.859 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -2.566 1.782 -0.939 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -2.551 0.222 -0.081 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -5.218 -2.667 -0.273 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -3.844 -1.731 0.363 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -5.510 -1.249 0.762 1.00 0.00 H new ATOM 1342 N GLN A 94 -3.808 3.240 1.174 1.00 0.00 N ATOM 1343 CA GLN A 94 -3.375 4.638 1.284 1.00 0.00 C ATOM 1344 C GLN A 94 -1.890 4.798 0.981 1.00 0.00 C ATOM 1345 O GLN A 94 -1.054 4.039 1.477 1.00 0.00 O ATOM 1346 CB GLN A 94 -3.709 5.215 2.663 1.00 0.00 C ATOM 1347 CG GLN A 94 -5.195 5.478 2.864 1.00 0.00 C ATOM 1348 CD GLN A 94 -5.496 6.228 4.148 1.00 0.00 C ATOM 1349 OE1 GLN A 94 -5.079 7.373 4.325 1.00 0.00 O ATOM 1350 NE2 GLN A 94 -6.235 5.588 5.046 1.00 0.00 N ATOM 0 H GLN A 94 -3.384 2.608 1.853 1.00 0.00 H new ATOM 0 HA GLN A 94 -3.928 5.202 0.533 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -3.363 4.524 3.432 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -3.161 6.147 2.801 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -5.575 6.051 2.018 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -5.729 4.528 2.871 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -6.559 4.639 4.857 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -6.479 6.045 5.925 1.00 0.00 H new ATOM 1359 N ILE A 95 -1.587 5.808 0.159 1.00 0.00 N ATOM 1360 CA ILE A 95 -0.217 6.120 -0.256 1.00 0.00 C ATOM 1361 C ILE A 95 0.088 7.607 0.039 1.00 0.00 C ATOM 1362 O ILE A 95 -0.393 8.483 -0.691 1.00 0.00 O ATOM 1363 CB ILE A 95 -0.007 5.799 -1.781 1.00 0.00 C ATOM 1364 CG1 ILE A 95 -0.163 4.294 -2.049 1.00 0.00 C ATOM 1365 CG2 ILE A 95 1.364 6.260 -2.283 1.00 0.00 C ATOM 1366 CD1 ILE A 95 -1.584 3.866 -2.355 1.00 0.00 C ATOM 0 H ILE A 95 -2.288 6.434 -0.238 1.00 0.00 H new ATOM 0 HA ILE A 95 0.474 5.497 0.311 1.00 0.00 H new ATOM 0 HB ILE A 95 -0.775 6.350 -2.324 1.00 0.00 H new ATOM 0 HG12 ILE A 95 0.477 4.016 -2.886 1.00 0.00 H new ATOM 0 HG13 ILE A 95 0.192 3.742 -1.179 1.00 0.00 H new ATOM 0 HG21 ILE A 95 1.464 6.018 -3.341 1.00 0.00 H new ATOM 0 HG22 ILE A 95 1.458 7.337 -2.147 1.00 0.00 H new ATOM 0 HG23 ILE A 95 2.147 5.754 -1.719 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -1.610 2.791 -2.532 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -2.228 4.110 -1.510 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -1.938 4.389 -3.243 1.00 0.00 H new ATOM 1378 N PRO A 96 0.879 7.930 1.118 1.00 0.00 N ATOM 1379 CA PRO A 96 1.226 9.331 1.460 1.00 0.00 C ATOM 1380 C PRO A 96 1.944 10.054 0.309 1.00 0.00 C ATOM 1381 O PRO A 96 3.162 9.923 0.127 1.00 0.00 O ATOM 1382 CB PRO A 96 2.146 9.194 2.684 1.00 0.00 C ATOM 1383 CG PRO A 96 1.817 7.863 3.262 1.00 0.00 C ATOM 1384 CD PRO A 96 1.474 6.982 2.092 1.00 0.00 C ATOM 0 HA PRO A 96 0.338 9.932 1.656 1.00 0.00 H new ATOM 0 HB2 PRO A 96 3.196 9.252 2.398 1.00 0.00 H new ATOM 0 HB3 PRO A 96 1.967 9.993 3.404 1.00 0.00 H new ATOM 0 HG2 PRO A 96 2.661 7.460 3.821 1.00 0.00 H new ATOM 0 HG3 PRO A 96 0.980 7.934 3.957 1.00 0.00 H new ATOM 0 HD2 PRO A 96 2.357 6.489 1.686 1.00 0.00 H new ATOM 0 HD3 PRO A 96 0.771 6.197 2.371 1.00 0.00 H new ATOM 1392 N LEU A 97 1.158 10.800 -0.471 1.00 0.00 N ATOM 1393 CA LEU A 97 1.671 11.541 -1.621 1.00 0.00 C ATOM 1394 C LEU A 97 1.605 13.047 -1.372 1.00 0.00 C ATOM 1395 O LEU A 97 0.580 13.560 -0.910 1.00 0.00 O ATOM 1396 CB LEU A 97 0.860 11.173 -2.869 1.00 0.00 C ATOM 1397 CG LEU A 97 1.543 11.449 -4.210 1.00 0.00 C ATOM 1398 CD1 LEU A 97 2.171 10.178 -4.759 1.00 0.00 C ATOM 1399 CD2 LEU A 97 0.549 12.030 -5.204 1.00 0.00 C ATOM 0 H LEU A 97 0.154 10.906 -0.323 1.00 0.00 H new ATOM 0 HA LEU A 97 2.716 11.271 -1.775 1.00 0.00 H new ATOM 0 HB2 LEU A 97 0.613 10.112 -2.820 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -0.082 11.721 -2.842 1.00 0.00 H new ATOM 0 HG LEU A 97 2.335 12.181 -4.051 1.00 0.00 H new ATOM 0 HD11 LEU A 97 2.652 10.393 -5.713 1.00 0.00 H new ATOM 0 HD12 LEU A 97 2.914 9.805 -4.054 1.00 0.00 H new ATOM 0 HD13 LEU A 97 1.398 9.424 -4.904 1.00 0.00 H new ATOM 0 HD21 LEU A 97 1.052 12.220 -6.152 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -0.265 11.322 -5.360 1.00 0.00 H new ATOM 0 HD23 LEU A 97 0.147 12.965 -4.813 1.00 0.00 H new ATOM 1411 N ASP A 98 2.706 13.746 -1.684 1.00 0.00 N ATOM 1412 CA ASP A 98 2.787 15.203 -1.513 1.00 0.00 C ATOM 1413 C ASP A 98 2.210 15.920 -2.730 1.00 0.00 C ATOM 1414 O ASP A 98 2.386 15.467 -3.860 1.00 0.00 O ATOM 1415 CB ASP A 98 4.240 15.657 -1.295 1.00 0.00 C ATOM 1416 CG ASP A 98 4.875 15.071 -0.041 1.00 0.00 C ATOM 1417 OD1 ASP A 98 4.207 15.048 1.017 1.00 0.00 O ATOM 1418 OD2 ASP A 98 6.042 14.635 -0.118 1.00 0.00 O ATOM 0 H ASP A 98 3.556 13.323 -2.058 1.00 0.00 H new ATOM 0 HA ASP A 98 2.202 15.462 -0.630 1.00 0.00 H new ATOM 0 HB2 ASP A 98 4.836 15.372 -2.162 1.00 0.00 H new ATOM 0 HB3 ASP A 98 4.268 16.745 -1.233 1.00 0.00 H new ATOM 1423 N TYR A 99 1.504 17.029 -2.486 1.00 0.00 N ATOM 1424 CA TYR A 99 0.891 17.834 -3.558 1.00 0.00 C ATOM 1425 C TYR A 99 1.937 18.469 -4.485 1.00 0.00 C ATOM 1426 O TYR A 99 1.711 18.610 -5.690 1.00 0.00 O ATOM 1427 CB TYR A 99 0.017 18.940 -2.953 1.00 0.00 C ATOM 1428 CG TYR A 99 -1.205 18.430 -2.217 1.00 0.00 C ATOM 1429 CD1 TYR A 99 -2.321 17.994 -2.916 1.00 0.00 C ATOM 1430 CD2 TYR A 99 -1.244 18.393 -0.829 1.00 0.00 C ATOM 1431 CE1 TYR A 99 -3.443 17.533 -2.256 1.00 0.00 C ATOM 1432 CE2 TYR A 99 -2.361 17.933 -0.159 1.00 0.00 C ATOM 1433 CZ TYR A 99 -3.458 17.504 -0.877 1.00 0.00 C ATOM 1434 OH TYR A 99 -4.574 17.046 -0.214 1.00 0.00 O ATOM 0 H TYR A 99 1.340 17.395 -1.548 1.00 0.00 H new ATOM 0 HA TYR A 99 0.282 17.155 -4.155 1.00 0.00 H new ATOM 0 HB2 TYR A 99 0.622 19.531 -2.265 1.00 0.00 H new ATOM 0 HB3 TYR A 99 -0.306 19.610 -3.750 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -2.312 18.015 -3.996 1.00 0.00 H new ATOM 0 HD2 TYR A 99 -0.387 18.729 -0.264 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -4.303 17.197 -2.816 1.00 0.00 H new ATOM 0 HE2 TYR A 99 -2.375 17.909 0.921 1.00 0.00 H new ATOM 0 HH TYR A 99 -4.421 17.090 0.753 1.00 0.00 H new ATOM 1444 N GLU A 100 3.078 18.843 -3.897 1.00 0.00 N ATOM 1445 CA GLU A 100 4.184 19.493 -4.616 1.00 0.00 C ATOM 1446 C GLU A 100 4.960 18.525 -5.535 1.00 0.00 C ATOM 1447 O GLU A 100 5.194 18.839 -6.705 1.00 0.00 O ATOM 1448 CB GLU A 100 5.134 20.135 -3.588 1.00 0.00 C ATOM 1449 CG GLU A 100 6.141 21.122 -4.176 1.00 0.00 C ATOM 1450 CD GLU A 100 7.145 21.620 -3.152 1.00 0.00 C ATOM 1451 OE1 GLU A 100 7.928 20.794 -2.634 1.00 0.00 O ATOM 1452 OE2 GLU A 100 7.148 22.836 -2.868 1.00 0.00 O ATOM 0 H GLU A 100 3.263 18.704 -2.904 1.00 0.00 H new ATOM 0 HA GLU A 100 3.756 20.253 -5.270 1.00 0.00 H new ATOM 0 HB2 GLU A 100 4.538 20.651 -2.836 1.00 0.00 H new ATOM 0 HB3 GLU A 100 5.680 19.343 -3.074 1.00 0.00 H new ATOM 0 HG2 GLU A 100 6.674 20.644 -4.998 1.00 0.00 H new ATOM 0 HG3 GLU A 100 5.605 21.973 -4.596 1.00 0.00 H new ATOM 1459 N THR A 101 5.353 17.361 -4.998 1.00 0.00 N ATOM 1460 CA THR A 101 6.131 16.373 -5.764 1.00 0.00 C ATOM 1461 C THR A 101 5.260 15.313 -6.432 1.00 0.00 C ATOM 1462 O THR A 101 5.620 14.808 -7.497 1.00 0.00 O ATOM 1463 CB THR A 101 7.170 15.669 -4.860 1.00 0.00 C ATOM 1464 OG1 THR A 101 6.534 15.160 -3.681 1.00 0.00 O ATOM 1465 CG2 THR A 101 8.295 16.620 -4.466 1.00 0.00 C ATOM 0 H THR A 101 5.146 17.080 -4.039 1.00 0.00 H new ATOM 0 HA THR A 101 6.634 16.937 -6.549 1.00 0.00 H new ATOM 0 HB THR A 101 7.601 14.844 -5.427 1.00 0.00 H new ATOM 0 HG1 THR A 101 7.200 14.715 -3.116 1.00 0.00 H new ATOM 0 HG21 THR A 101 9.009 16.096 -3.831 1.00 0.00 H new ATOM 0 HG22 THR A 101 8.801 16.977 -5.363 1.00 0.00 H new ATOM 0 HG23 THR A 101 7.880 17.469 -3.922 1.00 0.00 H new ATOM 1473 N GLU A 102 4.090 15.009 -5.831 1.00 0.00 N ATOM 1474 CA GLU A 102 3.145 13.980 -6.349 1.00 0.00 C ATOM 1475 C GLU A 102 3.862 12.645 -6.659 1.00 0.00 C ATOM 1476 O GLU A 102 3.455 11.891 -7.551 1.00 0.00 O ATOM 1477 CB GLU A 102 2.396 14.498 -7.597 1.00 0.00 C ATOM 1478 CG GLU A 102 1.420 15.630 -7.308 1.00 0.00 C ATOM 1479 CD GLU A 102 0.646 16.060 -8.538 1.00 0.00 C ATOM 1480 OE1 GLU A 102 1.233 16.749 -9.399 1.00 0.00 O ATOM 1481 OE2 GLU A 102 -0.548 15.707 -8.642 1.00 0.00 O ATOM 0 H GLU A 102 3.769 15.464 -4.976 1.00 0.00 H new ATOM 0 HA GLU A 102 2.415 13.786 -5.563 1.00 0.00 H new ATOM 0 HB2 GLU A 102 3.126 14.840 -8.330 1.00 0.00 H new ATOM 0 HB3 GLU A 102 1.852 13.670 -8.051 1.00 0.00 H new ATOM 0 HG2 GLU A 102 0.720 15.313 -6.535 1.00 0.00 H new ATOM 0 HG3 GLU A 102 1.968 16.485 -6.911 1.00 0.00 H new ATOM 1488 N LYS A 103 4.927 12.365 -5.890 1.00 0.00 N ATOM 1489 CA LYS A 103 5.739 11.158 -6.080 1.00 0.00 C ATOM 1490 C LYS A 103 5.586 10.193 -4.903 1.00 0.00 C ATOM 1491 O LYS A 103 5.287 10.613 -3.779 1.00 0.00 O ATOM 1492 CB LYS A 103 7.225 11.528 -6.239 1.00 0.00 C ATOM 1493 CG LYS A 103 7.518 12.537 -7.347 1.00 0.00 C ATOM 1494 CD LYS A 103 9.011 12.668 -7.604 1.00 0.00 C ATOM 1495 CE LYS A 103 9.308 13.773 -8.607 1.00 0.00 C ATOM 1496 NZ LYS A 103 10.442 13.419 -9.504 1.00 0.00 N ATOM 0 H LYS A 103 5.245 12.964 -5.128 1.00 0.00 H new ATOM 0 HA LYS A 103 5.384 10.666 -6.986 1.00 0.00 H new ATOM 0 HB2 LYS A 103 7.588 11.932 -5.294 1.00 0.00 H new ATOM 0 HB3 LYS A 103 7.793 10.618 -6.436 1.00 0.00 H new ATOM 0 HG2 LYS A 103 7.016 12.228 -8.264 1.00 0.00 H new ATOM 0 HG3 LYS A 103 7.109 13.509 -7.072 1.00 0.00 H new ATOM 0 HD2 LYS A 103 9.526 12.878 -6.666 1.00 0.00 H new ATOM 0 HD3 LYS A 103 9.402 11.721 -7.977 1.00 0.00 H new ATOM 0 HE2 LYS A 103 8.419 13.968 -9.206 1.00 0.00 H new ATOM 0 HE3 LYS A 103 9.541 14.694 -8.073 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 10.612 14.198 -10.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 11.297 13.258 -8.935 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 10.210 12.554 -10.033 1.00 0.00 H new ATOM 1510 N HIS A 104 5.796 8.901 -5.178 1.00 0.00 N ATOM 1511 CA HIS A 104 5.712 7.852 -4.163 1.00 0.00 C ATOM 1512 C HIS A 104 7.122 7.454 -3.717 1.00 0.00 C ATOM 1513 O HIS A 104 8.052 7.425 -4.529 1.00 0.00 O ATOM 1514 CB HIS A 104 4.928 6.645 -4.716 1.00 0.00 C ATOM 1515 CG HIS A 104 4.883 5.432 -3.824 1.00 0.00 C ATOM 1516 ND1 HIS A 104 5.157 4.164 -4.282 1.00 0.00 N ATOM 1517 CD2 HIS A 104 4.564 5.294 -2.514 1.00 0.00 C ATOM 1518 CE1 HIS A 104 5.000 3.296 -3.303 1.00 0.00 C ATOM 1519 NE2 HIS A 104 4.643 3.956 -2.216 1.00 0.00 N ATOM 0 H HIS A 104 6.028 8.556 -6.109 1.00 0.00 H new ATOM 0 HA HIS A 104 5.174 8.224 -3.291 1.00 0.00 H new ATOM 0 HB2 HIS A 104 3.905 6.962 -4.920 1.00 0.00 H new ATOM 0 HB3 HIS A 104 5.368 6.356 -5.670 1.00 0.00 H new ATOM 0 HD2 HIS A 104 4.298 6.088 -1.832 1.00 0.00 H new ATOM 0 HE1 HIS A 104 5.139 2.228 -3.377 1.00 0.00 H new ATOM 0 HE2 HIS A 104 4.456 3.540 -1.304 1.00 0.00 H new ATOM 1528 N ARG A 105 7.261 7.148 -2.424 1.00 0.00 N ATOM 1529 CA ARG A 105 8.558 6.782 -1.845 1.00 0.00 C ATOM 1530 C ARG A 105 8.753 5.263 -1.694 1.00 0.00 C ATOM 1531 O ARG A 105 9.801 4.827 -1.201 1.00 0.00 O ATOM 1532 CB ARG A 105 8.739 7.477 -0.489 1.00 0.00 C ATOM 1533 CG ARG A 105 8.869 8.992 -0.579 1.00 0.00 C ATOM 1534 CD ARG A 105 9.136 9.611 0.783 1.00 0.00 C ATOM 1535 NE ARG A 105 9.086 11.077 0.740 1.00 0.00 N ATOM 1536 CZ ARG A 105 8.458 11.848 1.640 1.00 0.00 C ATOM 1537 NH1 ARG A 105 7.810 11.314 2.674 1.00 0.00 N ATOM 1538 NH2 ARG A 105 8.479 13.167 1.499 1.00 0.00 N ATOM 0 H ARG A 105 6.490 7.146 -1.756 1.00 0.00 H new ATOM 0 HA ARG A 105 9.321 7.122 -2.545 1.00 0.00 H new ATOM 0 HB2 ARG A 105 7.889 7.233 0.148 1.00 0.00 H new ATOM 0 HB3 ARG A 105 9.628 7.075 -0.003 1.00 0.00 H new ATOM 0 HG2 ARG A 105 9.679 9.249 -1.261 1.00 0.00 H new ATOM 0 HG3 ARG A 105 7.955 9.412 -0.998 1.00 0.00 H new ATOM 0 HD2 ARG A 105 8.400 9.244 1.499 1.00 0.00 H new ATOM 0 HD3 ARG A 105 10.115 9.292 1.141 1.00 0.00 H new ATOM 0 HE ARG A 105 9.564 11.544 -0.031 1.00 0.00 H new ATOM 0 HH11 ARG A 105 7.785 10.301 2.792 1.00 0.00 H new ATOM 0 HH12 ARG A 105 7.339 11.918 3.347 1.00 0.00 H new ATOM 0 HH21 ARG A 105 8.970 13.588 0.710 1.00 0.00 H new ATOM 0 HH22 ARG A 105 8.004 13.760 2.179 1.00 0.00 H new ATOM 1552 N GLY A 106 7.768 4.456 -2.123 1.00 0.00 N ATOM 1553 CA GLY A 106 7.904 3.004 -2.017 1.00 0.00 C ATOM 1554 C GLY A 106 7.337 2.398 -0.739 1.00 0.00 C ATOM 1555 O GLY A 106 7.745 1.297 -0.361 1.00 0.00 O ATOM 0 H GLY A 106 6.893 4.779 -2.535 1.00 0.00 H new ATOM 0 HA2 GLY A 106 7.407 2.544 -2.871 1.00 0.00 H new ATOM 0 HA3 GLY A 106 8.961 2.747 -2.086 1.00 0.00 H new ATOM 1559 N PHE A 107 6.422 3.111 -0.057 1.00 0.00 N ATOM 1560 CA PHE A 107 5.788 2.585 1.162 1.00 0.00 C ATOM 1561 C PHE A 107 4.337 3.052 1.284 1.00 0.00 C ATOM 1562 O PHE A 107 3.991 4.161 0.868 1.00 0.00 O ATOM 1563 CB PHE A 107 6.590 2.919 2.443 1.00 0.00 C ATOM 1564 CG PHE A 107 6.722 4.383 2.778 1.00 0.00 C ATOM 1565 CD1 PHE A 107 7.785 5.129 2.296 1.00 0.00 C ATOM 1566 CD2 PHE A 107 5.785 5.004 3.588 1.00 0.00 C ATOM 1567 CE1 PHE A 107 7.910 6.467 2.619 1.00 0.00 C ATOM 1568 CE2 PHE A 107 5.903 6.342 3.909 1.00 0.00 C ATOM 1569 CZ PHE A 107 6.968 7.075 3.425 1.00 0.00 C ATOM 0 H PHE A 107 6.109 4.043 -0.327 1.00 0.00 H new ATOM 0 HA PHE A 107 5.788 1.499 1.065 1.00 0.00 H new ATOM 0 HB2 PHE A 107 6.117 2.415 3.286 1.00 0.00 H new ATOM 0 HB3 PHE A 107 7.590 2.498 2.341 1.00 0.00 H new ATOM 0 HD1 PHE A 107 8.523 4.661 1.662 1.00 0.00 H new ATOM 0 HD2 PHE A 107 4.952 4.435 3.973 1.00 0.00 H new ATOM 0 HE1 PHE A 107 8.745 7.038 2.241 1.00 0.00 H new ATOM 0 HE2 PHE A 107 5.163 6.814 4.538 1.00 0.00 H new ATOM 0 HZ PHE A 107 7.064 8.121 3.676 1.00 0.00 H new ATOM 1579 N ALA A 108 3.499 2.177 1.865 1.00 0.00 N ATOM 1580 CA ALA A 108 2.063 2.439 2.061 1.00 0.00 C ATOM 1581 C ALA A 108 1.492 1.531 3.157 1.00 0.00 C ATOM 1582 O ALA A 108 2.195 0.656 3.672 1.00 0.00 O ATOM 1583 CB ALA A 108 1.303 2.218 0.751 1.00 0.00 C ATOM 0 H ALA A 108 3.799 1.266 2.213 1.00 0.00 H new ATOM 0 HA ALA A 108 1.943 3.477 2.372 1.00 0.00 H new ATOM 0 HB1 ALA A 108 0.242 2.415 0.908 1.00 0.00 H new ATOM 0 HB2 ALA A 108 1.688 2.895 -0.012 1.00 0.00 H new ATOM 0 HB3 ALA A 108 1.436 1.187 0.423 1.00 0.00 H new ATOM 1589 N PHE A 109 0.228 1.768 3.535 1.00 0.00 N ATOM 1590 CA PHE A 109 -0.456 0.942 4.535 1.00 0.00 C ATOM 1591 C PHE A 109 -1.667 0.272 3.892 1.00 0.00 C ATOM 1592 O PHE A 109 -2.265 0.824 2.960 1.00 0.00 O ATOM 1593 CB PHE A 109 -0.902 1.766 5.753 1.00 0.00 C ATOM 1594 CG PHE A 109 0.228 2.411 6.513 1.00 0.00 C ATOM 1595 CD1 PHE A 109 0.795 3.598 6.074 1.00 0.00 C ATOM 1596 CD2 PHE A 109 0.713 1.834 7.675 1.00 0.00 C ATOM 1597 CE1 PHE A 109 1.825 4.194 6.777 1.00 0.00 C ATOM 1598 CE2 PHE A 109 1.743 2.424 8.383 1.00 0.00 C ATOM 1599 CZ PHE A 109 2.299 3.606 7.933 1.00 0.00 C ATOM 0 H PHE A 109 -0.341 2.527 3.161 1.00 0.00 H new ATOM 0 HA PHE A 109 0.248 0.189 4.889 1.00 0.00 H new ATOM 0 HB2 PHE A 109 -1.590 2.543 5.419 1.00 0.00 H new ATOM 0 HB3 PHE A 109 -1.458 1.118 6.431 1.00 0.00 H new ATOM 0 HD1 PHE A 109 0.427 4.063 5.171 1.00 0.00 H new ATOM 0 HD2 PHE A 109 0.281 0.911 8.032 1.00 0.00 H new ATOM 0 HE1 PHE A 109 2.258 5.118 6.423 1.00 0.00 H new ATOM 0 HE2 PHE A 109 2.113 1.962 9.286 1.00 0.00 H new ATOM 0 HZ PHE A 109 3.103 4.070 8.485 1.00 0.00 H new ATOM 1609 N VAL A 110 -2.026 -0.906 4.400 1.00 0.00 N ATOM 1610 CA VAL A 110 -3.156 -1.664 3.866 1.00 0.00 C ATOM 1611 C VAL A 110 -4.234 -1.878 4.941 1.00 0.00 C ATOM 1612 O VAL A 110 -3.923 -2.207 6.090 1.00 0.00 O ATOM 1613 CB VAL A 110 -2.671 -3.026 3.249 1.00 0.00 C ATOM 1614 CG1 VAL A 110 -2.000 -3.936 4.284 1.00 0.00 C ATOM 1615 CG2 VAL A 110 -3.810 -3.769 2.546 1.00 0.00 C ATOM 0 H VAL A 110 -1.550 -1.356 5.182 1.00 0.00 H new ATOM 0 HA VAL A 110 -3.610 -1.083 3.064 1.00 0.00 H new ATOM 0 HB VAL A 110 -1.919 -2.766 2.504 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -1.685 -4.862 3.804 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -1.130 -3.430 4.704 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -2.707 -4.163 5.082 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -3.434 -4.705 2.133 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -4.603 -3.981 3.263 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -4.205 -3.150 1.740 1.00 0.00 H new ATOM 1625 N GLU A 111 -5.494 -1.682 4.540 1.00 0.00 N ATOM 1626 CA GLU A 111 -6.637 -1.849 5.434 1.00 0.00 C ATOM 1627 C GLU A 111 -7.393 -3.134 5.091 1.00 0.00 C ATOM 1628 O GLU A 111 -7.866 -3.300 3.963 1.00 0.00 O ATOM 1629 CB GLU A 111 -7.571 -0.636 5.316 1.00 0.00 C ATOM 1630 CG GLU A 111 -8.225 -0.221 6.628 1.00 0.00 C ATOM 1631 CD GLU A 111 -9.653 0.255 6.443 1.00 0.00 C ATOM 1632 OE1 GLU A 111 -9.845 1.355 5.882 1.00 0.00 O ATOM 1633 OE2 GLU A 111 -10.580 -0.472 6.858 1.00 0.00 O ATOM 0 H GLU A 111 -5.746 -1.405 3.591 1.00 0.00 H new ATOM 0 HA GLU A 111 -6.277 -1.921 6.460 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -7.004 0.208 4.923 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -8.352 -0.862 4.590 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -8.214 -1.065 7.318 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -7.637 0.574 7.087 1.00 0.00 H new ATOM 1640 N PHE A 112 -7.499 -4.035 6.071 1.00 0.00 N ATOM 1641 CA PHE A 112 -8.197 -5.307 5.883 1.00 0.00 C ATOM 1642 C PHE A 112 -9.547 -5.300 6.587 1.00 0.00 C ATOM 1643 O PHE A 112 -9.647 -4.895 7.746 1.00 0.00 O ATOM 1644 CB PHE A 112 -7.349 -6.475 6.402 1.00 0.00 C ATOM 1645 CG PHE A 112 -6.457 -7.097 5.360 1.00 0.00 C ATOM 1646 CD1 PHE A 112 -6.950 -8.073 4.505 1.00 0.00 C ATOM 1647 CD2 PHE A 112 -5.130 -6.716 5.239 1.00 0.00 C ATOM 1648 CE1 PHE A 112 -6.137 -8.654 3.550 1.00 0.00 C ATOM 1649 CE2 PHE A 112 -4.313 -7.294 4.284 1.00 0.00 C ATOM 1650 CZ PHE A 112 -4.818 -8.263 3.439 1.00 0.00 C ATOM 0 H PHE A 112 -7.109 -3.906 7.005 1.00 0.00 H new ATOM 0 HA PHE A 112 -8.362 -5.437 4.813 1.00 0.00 H new ATOM 0 HB2 PHE A 112 -6.733 -6.123 7.229 1.00 0.00 H new ATOM 0 HB3 PHE A 112 -8.012 -7.242 6.802 1.00 0.00 H new ATOM 0 HD1 PHE A 112 -7.982 -8.382 4.587 1.00 0.00 H new ATOM 0 HD2 PHE A 112 -4.729 -5.960 5.898 1.00 0.00 H new ATOM 0 HE1 PHE A 112 -6.533 -9.413 2.892 1.00 0.00 H new ATOM 0 HE2 PHE A 112 -3.281 -6.988 4.199 1.00 0.00 H new ATOM 0 HZ PHE A 112 -4.181 -8.714 2.692 1.00 0.00 H new ATOM 1660 N GLU A 113 -10.587 -5.751 5.867 1.00 0.00 N ATOM 1661 CA GLU A 113 -11.953 -5.821 6.407 1.00 0.00 C ATOM 1662 C GLU A 113 -12.036 -6.846 7.552 1.00 0.00 C ATOM 1663 O GLU A 113 -12.786 -6.653 8.514 1.00 0.00 O ATOM 1664 CB GLU A 113 -12.940 -6.178 5.280 1.00 0.00 C ATOM 1665 CG GLU A 113 -14.406 -5.945 5.624 1.00 0.00 C ATOM 1666 CD GLU A 113 -15.351 -6.450 4.549 1.00 0.00 C ATOM 1667 OE1 GLU A 113 -15.378 -7.675 4.304 1.00 0.00 O ATOM 1668 OE2 GLU A 113 -16.068 -5.618 3.952 1.00 0.00 O ATOM 0 H GLU A 113 -10.506 -6.074 4.903 1.00 0.00 H new ATOM 0 HA GLU A 113 -12.221 -4.846 6.814 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -12.690 -5.591 4.396 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -12.805 -7.227 5.015 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -14.637 -6.442 6.566 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -14.573 -4.879 5.777 1.00 0.00 H new ATOM 1675 N LEU A 114 -11.258 -7.929 7.427 1.00 0.00 N ATOM 1676 CA LEU A 114 -11.212 -8.983 8.437 1.00 0.00 C ATOM 1677 C LEU A 114 -9.889 -8.956 9.186 1.00 0.00 C ATOM 1678 O LEU A 114 -8.823 -8.814 8.580 1.00 0.00 O ATOM 1679 CB LEU A 114 -11.423 -10.361 7.799 1.00 0.00 C ATOM 1680 CG LEU A 114 -12.853 -10.660 7.335 1.00 0.00 C ATOM 1681 CD1 LEU A 114 -13.107 -10.082 5.952 1.00 0.00 C ATOM 1682 CD2 LEU A 114 -13.110 -12.159 7.342 1.00 0.00 C ATOM 0 H LEU A 114 -10.648 -8.095 6.626 1.00 0.00 H new ATOM 0 HA LEU A 114 -12.020 -8.799 9.146 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -10.755 -10.452 6.942 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -11.125 -11.125 8.518 1.00 0.00 H new ATOM 0 HG LEU A 114 -13.544 -10.185 8.032 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -14.128 -10.308 5.645 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -12.966 -9.001 5.978 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -12.409 -10.522 5.240 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -14.130 -12.355 7.010 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -12.408 -12.652 6.669 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -12.977 -12.546 8.352 1.00 0.00 H new ATOM 1694 N ALA A 115 -9.978 -9.094 10.511 1.00 0.00 N ATOM 1695 CA ALA A 115 -8.803 -9.091 11.394 1.00 0.00 C ATOM 1696 C ALA A 115 -7.987 -10.389 11.297 1.00 0.00 C ATOM 1697 O ALA A 115 -6.774 -10.377 11.525 1.00 0.00 O ATOM 1698 CB ALA A 115 -9.237 -8.854 12.833 1.00 0.00 C ATOM 0 H ALA A 115 -10.863 -9.211 11.004 1.00 0.00 H new ATOM 0 HA ALA A 115 -8.154 -8.280 11.063 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -8.361 -8.853 13.482 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -9.744 -7.892 12.906 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -9.917 -9.647 13.143 1.00 0.00 H new ATOM 1704 N GLU A 116 -8.661 -11.501 10.952 1.00 0.00 N ATOM 1705 CA GLU A 116 -8.006 -12.817 10.828 1.00 0.00 C ATOM 1706 C GLU A 116 -7.068 -12.888 9.613 1.00 0.00 C ATOM 1707 O GLU A 116 -5.972 -13.449 9.702 1.00 0.00 O ATOM 1708 CB GLU A 116 -9.059 -13.943 10.798 1.00 0.00 C ATOM 1709 CG GLU A 116 -9.975 -13.955 9.580 1.00 0.00 C ATOM 1710 CD GLU A 116 -10.995 -15.077 9.626 1.00 0.00 C ATOM 1711 OE1 GLU A 116 -10.598 -16.247 9.447 1.00 0.00 O ATOM 1712 OE2 GLU A 116 -12.189 -14.784 9.842 1.00 0.00 O ATOM 0 H GLU A 116 -9.661 -11.515 10.754 1.00 0.00 H new ATOM 0 HA GLU A 116 -7.379 -12.957 11.709 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -8.542 -14.901 10.851 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -9.676 -13.864 11.693 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -10.495 -12.999 9.512 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -9.372 -14.055 8.678 1.00 0.00 H new ATOM 1719 N ASP A 117 -7.515 -12.311 8.486 1.00 0.00 N ATOM 1720 CA ASP A 117 -6.717 -12.266 7.252 1.00 0.00 C ATOM 1721 C ASP A 117 -5.511 -11.344 7.430 1.00 0.00 C ATOM 1722 O ASP A 117 -4.451 -11.566 6.839 1.00 0.00 O ATOM 1723 CB ASP A 117 -7.560 -11.792 6.060 1.00 0.00 C ATOM 1724 CG ASP A 117 -8.717 -12.724 5.727 1.00 0.00 C ATOM 1725 OD1 ASP A 117 -8.516 -13.960 5.732 1.00 0.00 O ATOM 1726 OD2 ASP A 117 -9.827 -12.216 5.461 1.00 0.00 O ATOM 0 H ASP A 117 -8.430 -11.867 8.405 1.00 0.00 H new ATOM 0 HA ASP A 117 -6.369 -13.278 7.046 1.00 0.00 H new ATOM 0 HB2 ASP A 117 -7.954 -10.799 6.276 1.00 0.00 H new ATOM 0 HB3 ASP A 117 -6.917 -11.697 5.185 1.00 0.00 H new ATOM 1731 N ALA A 118 -5.701 -10.302 8.262 1.00 0.00 N ATOM 1732 CA ALA A 118 -4.655 -9.313 8.560 1.00 0.00 C ATOM 1733 C ALA A 118 -3.453 -9.966 9.247 1.00 0.00 C ATOM 1734 O ALA A 118 -2.301 -9.713 8.878 1.00 0.00 O ATOM 1735 CB ALA A 118 -5.225 -8.211 9.436 1.00 0.00 C ATOM 0 H ALA A 118 -6.583 -10.125 8.744 1.00 0.00 H new ATOM 0 HA ALA A 118 -4.310 -8.885 7.619 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -4.446 -7.480 9.654 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -6.047 -7.720 8.915 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -5.591 -8.640 10.368 1.00 0.00 H new ATOM 1741 N ALA A 119 -3.743 -10.818 10.246 1.00 0.00 N ATOM 1742 CA ALA A 119 -2.712 -11.558 10.978 1.00 0.00 C ATOM 1743 C ALA A 119 -2.063 -12.601 10.069 1.00 0.00 C ATOM 1744 O ALA A 119 -0.891 -12.947 10.236 1.00 0.00 O ATOM 1745 CB ALA A 119 -3.307 -12.221 12.212 1.00 0.00 C ATOM 0 H ALA A 119 -4.693 -11.009 10.564 1.00 0.00 H new ATOM 0 HA ALA A 119 -1.944 -10.856 11.303 1.00 0.00 H new ATOM 0 HB1 ALA A 119 -2.527 -12.766 12.744 1.00 0.00 H new ATOM 0 HB2 ALA A 119 -3.728 -11.459 12.867 1.00 0.00 H new ATOM 0 HB3 ALA A 119 -4.093 -12.914 11.910 1.00 0.00 H new ATOM 1751 N ALA A 120 -2.859 -13.082 9.094 1.00 0.00 N ATOM 1752 CA ALA A 120 -2.410 -14.077 8.112 1.00 0.00 C ATOM 1753 C ALA A 120 -1.421 -13.467 7.116 1.00 0.00 C ATOM 1754 O ALA A 120 -0.427 -14.100 6.748 1.00 0.00 O ATOM 1755 CB ALA A 120 -3.605 -14.664 7.371 1.00 0.00 C ATOM 0 H ALA A 120 -3.828 -12.790 8.969 1.00 0.00 H new ATOM 0 HA ALA A 120 -1.898 -14.874 8.652 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -3.258 -15.400 6.646 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -4.275 -15.145 8.084 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -4.138 -13.868 6.852 1.00 0.00 H new ATOM 1761 N ALA A 121 -1.704 -12.223 6.692 1.00 0.00 N ATOM 1762 CA ALA A 121 -0.846 -11.494 5.749 1.00 0.00 C ATOM 1763 C ALA A 121 0.532 -11.196 6.352 1.00 0.00 C ATOM 1764 O ALA A 121 1.547 -11.261 5.652 1.00 0.00 O ATOM 1765 CB ALA A 121 -1.525 -10.201 5.314 1.00 0.00 C ATOM 0 H ALA A 121 -2.527 -11.701 6.992 1.00 0.00 H new ATOM 0 HA ALA A 121 -0.693 -12.130 4.877 1.00 0.00 H new ATOM 0 HB1 ALA A 121 -0.880 -9.669 4.615 1.00 0.00 H new ATOM 0 HB2 ALA A 121 -2.473 -10.433 4.828 1.00 0.00 H new ATOM 0 HB3 ALA A 121 -1.709 -9.575 6.187 1.00 0.00 H new ATOM 1771 N ILE A 122 0.551 -10.868 7.657 1.00 0.00 N ATOM 1772 CA ILE A 122 1.799 -10.562 8.379 1.00 0.00 C ATOM 1773 C ILE A 122 2.665 -11.817 8.606 1.00 0.00 C ATOM 1774 O ILE A 122 3.895 -11.727 8.588 1.00 0.00 O ATOM 1775 CB ILE A 122 1.520 -9.830 9.733 1.00 0.00 C ATOM 1776 CG1 ILE A 122 0.846 -8.472 9.470 1.00 0.00 C ATOM 1777 CG2 ILE A 122 2.812 -9.616 10.537 1.00 0.00 C ATOM 1778 CD1 ILE A 122 -0.176 -8.068 10.512 1.00 0.00 C ATOM 0 H ILE A 122 -0.288 -10.808 8.235 1.00 0.00 H new ATOM 0 HA ILE A 122 2.365 -9.885 7.740 1.00 0.00 H new ATOM 0 HB ILE A 122 0.855 -10.464 10.320 1.00 0.00 H new ATOM 0 HG12 ILE A 122 1.616 -7.702 9.417 1.00 0.00 H new ATOM 0 HG13 ILE A 122 0.360 -8.504 8.495 1.00 0.00 H new ATOM 0 HG21 ILE A 122 2.579 -9.105 11.471 1.00 0.00 H new ATOM 0 HG22 ILE A 122 3.269 -10.581 10.756 1.00 0.00 H new ATOM 0 HG23 ILE A 122 3.506 -9.010 9.955 1.00 0.00 H new ATOM 0 HD11 ILE A 122 -0.601 -7.099 10.248 1.00 0.00 H new ATOM 0 HD12 ILE A 122 -0.970 -8.814 10.551 1.00 0.00 H new ATOM 0 HD13 ILE A 122 0.306 -7.999 11.487 1.00 0.00 H new ATOM 1790 N ASP A 123 2.022 -12.972 8.817 1.00 0.00 N ATOM 1791 CA ASP A 123 2.748 -14.229 9.060 1.00 0.00 C ATOM 1792 C ASP A 123 3.209 -14.921 7.763 1.00 0.00 C ATOM 1793 O ASP A 123 4.078 -15.798 7.810 1.00 0.00 O ATOM 1794 CB ASP A 123 1.895 -15.190 9.922 1.00 0.00 C ATOM 1795 CG ASP A 123 0.572 -15.617 9.285 1.00 0.00 C ATOM 1796 OD1 ASP A 123 0.584 -16.082 8.125 1.00 0.00 O ATOM 1797 OD2 ASP A 123 -0.471 -15.496 9.959 1.00 0.00 O ATOM 0 H ASP A 123 1.006 -13.064 8.825 1.00 0.00 H new ATOM 0 HA ASP A 123 3.654 -13.966 9.607 1.00 0.00 H new ATOM 0 HB2 ASP A 123 2.483 -16.082 10.137 1.00 0.00 H new ATOM 0 HB3 ASP A 123 1.684 -14.709 10.877 1.00 0.00 H new ATOM 1802 N ASN A 124 2.629 -14.528 6.622 1.00 0.00 N ATOM 1803 CA ASN A 124 2.967 -15.143 5.335 1.00 0.00 C ATOM 1804 C ASN A 124 3.950 -14.323 4.489 1.00 0.00 C ATOM 1805 O ASN A 124 4.864 -14.900 3.894 1.00 0.00 O ATOM 1806 CB ASN A 124 1.694 -15.406 4.529 1.00 0.00 C ATOM 1807 CG ASN A 124 0.932 -16.625 5.020 1.00 0.00 C ATOM 1808 OD1 ASN A 124 1.490 -17.717 5.141 1.00 0.00 O ATOM 1809 ND2 ASN A 124 -0.354 -16.447 5.300 1.00 0.00 N ATOM 0 H ASN A 124 1.927 -13.790 6.565 1.00 0.00 H new ATOM 0 HA ASN A 124 3.472 -16.079 5.575 1.00 0.00 H new ATOM 0 HB2 ASN A 124 1.046 -14.531 4.584 1.00 0.00 H new ATOM 0 HB3 ASN A 124 1.955 -15.544 3.480 1.00 0.00 H new ATOM 0 HD21 ASN A 124 -0.918 -17.231 5.629 1.00 0.00 H new ATOM 0 HD22 ASN A 124 -0.778 -15.526 5.186 1.00 0.00 H new ATOM 1816 N MET A 125 3.773 -12.992 4.431 1.00 0.00 N ATOM 1817 CA MET A 125 4.648 -12.146 3.605 1.00 0.00 C ATOM 1818 C MET A 125 5.231 -10.957 4.384 1.00 0.00 C ATOM 1819 O MET A 125 5.259 -9.825 3.884 1.00 0.00 O ATOM 1820 CB MET A 125 3.880 -11.660 2.360 1.00 0.00 C ATOM 1821 CG MET A 125 3.567 -12.765 1.356 1.00 0.00 C ATOM 1822 SD MET A 125 2.773 -12.152 -0.147 1.00 0.00 S ATOM 1823 CE MET A 125 4.181 -11.552 -1.079 1.00 0.00 C ATOM 0 H MET A 125 3.045 -12.487 4.937 1.00 0.00 H new ATOM 0 HA MET A 125 5.496 -12.757 3.295 1.00 0.00 H new ATOM 0 HB2 MET A 125 2.946 -11.197 2.679 1.00 0.00 H new ATOM 0 HB3 MET A 125 4.465 -10.886 1.863 1.00 0.00 H new ATOM 0 HG2 MET A 125 4.491 -13.277 1.089 1.00 0.00 H new ATOM 0 HG3 MET A 125 2.918 -13.503 1.827 1.00 0.00 H new ATOM 0 HE1 MET A 125 3.909 -11.462 -2.131 1.00 0.00 H new ATOM 0 HE2 MET A 125 4.481 -10.576 -0.697 1.00 0.00 H new ATOM 0 HE3 MET A 125 5.010 -12.252 -0.977 1.00 0.00 H new ATOM 1833 N ASN A 126 5.716 -11.219 5.608 1.00 0.00 N ATOM 1834 CA ASN A 126 6.324 -10.174 6.455 1.00 0.00 C ATOM 1835 C ASN A 126 7.599 -9.605 5.809 1.00 0.00 C ATOM 1836 O ASN A 126 7.862 -8.404 5.889 1.00 0.00 O ATOM 1837 CB ASN A 126 6.646 -10.740 7.847 1.00 0.00 C ATOM 1838 CG ASN A 126 6.737 -9.669 8.925 1.00 0.00 C ATOM 1839 OD1 ASN A 126 7.385 -8.636 8.743 1.00 0.00 O ATOM 1840 ND2 ASN A 126 6.083 -9.912 10.055 1.00 0.00 N ATOM 0 H ASN A 126 5.700 -12.145 6.036 1.00 0.00 H new ATOM 0 HA ASN A 126 5.604 -9.362 6.556 1.00 0.00 H new ATOM 0 HB2 ASN A 126 5.878 -11.461 8.125 1.00 0.00 H new ATOM 0 HB3 ASN A 126 7.591 -11.282 7.802 1.00 0.00 H new ATOM 0 HD21 ASN A 126 6.105 -9.231 10.814 1.00 0.00 H new ATOM 0 HD22 ASN A 126 5.559 -10.780 10.164 1.00 0.00 H new ATOM 1847 N GLU A 127 8.379 -10.494 5.180 1.00 0.00 N ATOM 1848 CA GLU A 127 9.622 -10.126 4.492 1.00 0.00 C ATOM 1849 C GLU A 127 9.766 -10.952 3.213 1.00 0.00 C ATOM 1850 O GLU A 127 10.511 -11.940 3.156 1.00 0.00 O ATOM 1851 CB GLU A 127 10.837 -10.316 5.416 1.00 0.00 C ATOM 1852 CG GLU A 127 10.939 -9.254 6.496 1.00 0.00 C ATOM 1853 CD GLU A 127 12.076 -9.510 7.465 1.00 0.00 C ATOM 1854 OE1 GLU A 127 13.198 -9.026 7.206 1.00 0.00 O ATOM 1855 OE2 GLU A 127 11.845 -10.195 8.484 1.00 0.00 O ATOM 0 H GLU A 127 8.165 -11.490 5.134 1.00 0.00 H new ATOM 0 HA GLU A 127 9.579 -9.071 4.223 1.00 0.00 H new ATOM 0 HB2 GLU A 127 10.778 -11.298 5.886 1.00 0.00 H new ATOM 0 HB3 GLU A 127 11.747 -10.304 4.816 1.00 0.00 H new ATOM 0 HG2 GLU A 127 11.078 -8.279 6.029 1.00 0.00 H new ATOM 0 HG3 GLU A 127 10.000 -9.212 7.048 1.00 0.00 H new ATOM 1862 N SER A 128 9.021 -10.532 2.192 1.00 0.00 N ATOM 1863 CA SER A 128 9.012 -11.205 0.892 1.00 0.00 C ATOM 1864 C SER A 128 9.342 -10.234 -0.243 1.00 0.00 C ATOM 1865 O SER A 128 9.278 -9.016 -0.063 1.00 0.00 O ATOM 1866 CB SER A 128 7.646 -11.860 0.659 1.00 0.00 C ATOM 1867 OG SER A 128 6.600 -10.906 0.734 1.00 0.00 O ATOM 0 H SER A 128 8.408 -9.718 2.241 1.00 0.00 H new ATOM 0 HA SER A 128 9.784 -11.974 0.899 1.00 0.00 H new ATOM 0 HB2 SER A 128 7.633 -12.342 -0.319 1.00 0.00 H new ATOM 0 HB3 SER A 128 7.483 -12.641 1.401 1.00 0.00 H new ATOM 0 HG SER A 128 6.558 -10.538 1.641 1.00 0.00 H new ATOM 1873 N GLU A 129 9.713 -10.787 -1.407 1.00 0.00 N ATOM 1874 CA GLU A 129 10.051 -9.983 -2.576 1.00 0.00 C ATOM 1875 C GLU A 129 8.814 -9.760 -3.458 1.00 0.00 C ATOM 1876 O GLU A 129 8.213 -10.713 -3.965 1.00 0.00 O ATOM 1877 CB GLU A 129 11.165 -10.676 -3.372 1.00 0.00 C ATOM 1878 CG GLU A 129 11.958 -9.741 -4.271 1.00 0.00 C ATOM 1879 CD GLU A 129 12.986 -10.470 -5.116 1.00 0.00 C ATOM 1880 OE1 GLU A 129 13.980 -10.967 -4.544 1.00 0.00 O ATOM 1881 OE2 GLU A 129 12.796 -10.543 -6.348 1.00 0.00 O ATOM 0 H GLU A 129 9.785 -11.793 -1.558 1.00 0.00 H new ATOM 0 HA GLU A 129 10.405 -9.007 -2.244 1.00 0.00 H new ATOM 0 HB2 GLU A 129 11.849 -11.159 -2.674 1.00 0.00 H new ATOM 0 HB3 GLU A 129 10.724 -11.464 -3.983 1.00 0.00 H new ATOM 0 HG2 GLU A 129 11.271 -9.204 -4.925 1.00 0.00 H new ATOM 0 HG3 GLU A 129 12.462 -8.995 -3.657 1.00 0.00 H new ATOM 1888 N LEU A 130 8.450 -8.486 -3.615 1.00 0.00 N ATOM 1889 CA LEU A 130 7.305 -8.084 -4.429 1.00 0.00 C ATOM 1890 C LEU A 130 7.734 -7.008 -5.424 1.00 0.00 C ATOM 1891 O LEU A 130 8.379 -6.027 -5.043 1.00 0.00 O ATOM 1892 CB LEU A 130 6.168 -7.568 -3.528 1.00 0.00 C ATOM 1893 CG LEU A 130 4.790 -7.416 -4.196 1.00 0.00 C ATOM 1894 CD1 LEU A 130 4.019 -8.730 -4.160 1.00 0.00 C ATOM 1895 CD2 LEU A 130 3.993 -6.312 -3.520 1.00 0.00 C ATOM 0 H LEU A 130 8.942 -7.705 -3.181 1.00 0.00 H new ATOM 0 HA LEU A 130 6.937 -8.947 -4.983 1.00 0.00 H new ATOM 0 HB2 LEU A 130 6.066 -8.247 -2.682 1.00 0.00 H new ATOM 0 HB3 LEU A 130 6.463 -6.599 -3.125 1.00 0.00 H new ATOM 0 HG LEU A 130 4.946 -7.144 -5.240 1.00 0.00 H new ATOM 0 HD11 LEU A 130 3.049 -8.596 -4.638 1.00 0.00 H new ATOM 0 HD12 LEU A 130 4.582 -9.497 -4.691 1.00 0.00 H new ATOM 0 HD13 LEU A 130 3.874 -9.038 -3.125 1.00 0.00 H new ATOM 0 HD21 LEU A 130 3.021 -6.217 -4.004 1.00 0.00 H new ATOM 0 HD22 LEU A 130 3.852 -6.557 -2.467 1.00 0.00 H new ATOM 0 HD23 LEU A 130 4.534 -5.369 -3.604 1.00 0.00 H new ATOM 1907 N PHE A 131 7.373 -7.203 -6.710 1.00 0.00 N ATOM 1908 CA PHE A 131 7.712 -6.263 -7.813 1.00 0.00 C ATOM 1909 C PHE A 131 9.238 -6.150 -8.038 1.00 0.00 C ATOM 1910 O PHE A 131 9.710 -5.236 -8.725 1.00 0.00 O ATOM 1911 CB PHE A 131 7.099 -4.867 -7.561 1.00 0.00 C ATOM 1912 CG PHE A 131 6.602 -4.184 -8.806 1.00 0.00 C ATOM 1913 CD1 PHE A 131 7.464 -3.439 -9.596 1.00 0.00 C ATOM 1914 CD2 PHE A 131 5.271 -4.284 -9.184 1.00 0.00 C ATOM 1915 CE1 PHE A 131 7.009 -2.808 -10.738 1.00 0.00 C ATOM 1916 CE2 PHE A 131 4.811 -3.655 -10.325 1.00 0.00 C ATOM 1917 CZ PHE A 131 5.681 -2.916 -11.103 1.00 0.00 C ATOM 0 H PHE A 131 6.838 -8.015 -7.019 1.00 0.00 H new ATOM 0 HA PHE A 131 7.278 -6.677 -8.723 1.00 0.00 H new ATOM 0 HB2 PHE A 131 6.272 -4.966 -6.858 1.00 0.00 H new ATOM 0 HB3 PHE A 131 7.847 -4.233 -7.085 1.00 0.00 H new ATOM 0 HD1 PHE A 131 8.503 -3.351 -9.316 1.00 0.00 H new ATOM 0 HD2 PHE A 131 4.586 -4.860 -8.579 1.00 0.00 H new ATOM 0 HE1 PHE A 131 7.691 -2.231 -11.345 1.00 0.00 H new ATOM 0 HE2 PHE A 131 3.772 -3.741 -10.608 1.00 0.00 H new ATOM 0 HZ PHE A 131 5.324 -2.423 -11.995 1.00 0.00 H new ATOM 1927 N GLY A 132 9.993 -7.102 -7.466 1.00 0.00 N ATOM 1928 CA GLY A 132 11.447 -7.109 -7.599 1.00 0.00 C ATOM 1929 C GLY A 132 12.164 -6.462 -6.421 1.00 0.00 C ATOM 1930 O GLY A 132 13.390 -6.313 -6.448 1.00 0.00 O ATOM 0 H GLY A 132 9.617 -7.871 -6.911 1.00 0.00 H new ATOM 0 HA2 GLY A 132 11.790 -8.138 -7.703 1.00 0.00 H new ATOM 0 HA3 GLY A 132 11.723 -6.587 -8.515 1.00 0.00 H new ATOM 1934 N ARG A 133 11.400 -6.080 -5.390 1.00 0.00 N ATOM 1935 CA ARG A 133 11.954 -5.444 -4.190 1.00 0.00 C ATOM 1936 C ARG A 133 11.492 -6.164 -2.925 1.00 0.00 C ATOM 1937 O ARG A 133 10.456 -6.834 -2.931 1.00 0.00 O ATOM 1938 CB ARG A 133 11.528 -3.972 -4.115 1.00 0.00 C ATOM 1939 CG ARG A 133 12.114 -3.086 -5.206 1.00 0.00 C ATOM 1940 CD ARG A 133 11.697 -1.635 -5.019 1.00 0.00 C ATOM 1941 NE ARG A 133 12.467 -0.969 -3.960 1.00 0.00 N ATOM 1942 CZ ARG A 133 13.426 -0.054 -4.171 1.00 0.00 C ATOM 1943 NH1 ARG A 133 13.756 0.328 -5.403 1.00 0.00 N ATOM 1944 NH2 ARG A 133 14.057 0.481 -3.135 1.00 0.00 N ATOM 0 H ARG A 133 10.388 -6.202 -5.364 1.00 0.00 H new ATOM 0 HA ARG A 133 13.040 -5.506 -4.257 1.00 0.00 H new ATOM 0 HB2 ARG A 133 10.441 -3.919 -4.167 1.00 0.00 H new ATOM 0 HB3 ARG A 133 11.820 -3.572 -3.144 1.00 0.00 H new ATOM 0 HG2 ARG A 133 13.201 -3.159 -5.193 1.00 0.00 H new ATOM 0 HG3 ARG A 133 11.783 -3.439 -6.182 1.00 0.00 H new ATOM 0 HD2 ARG A 133 11.831 -1.096 -5.957 1.00 0.00 H new ATOM 0 HD3 ARG A 133 10.635 -1.592 -4.776 1.00 0.00 H new ATOM 0 HE ARG A 133 12.258 -1.220 -2.994 1.00 0.00 H new ATOM 0 HH11 ARG A 133 13.277 -0.076 -6.208 1.00 0.00 H new ATOM 0 HH12 ARG A 133 14.488 1.025 -5.542 1.00 0.00 H new ATOM 0 HH21 ARG A 133 13.812 0.197 -2.186 1.00 0.00 H new ATOM 0 HH22 ARG A 133 14.787 1.177 -3.286 1.00 0.00 H new ATOM 1958 N THR A 134 12.264 -6.015 -1.838 1.00 0.00 N ATOM 1959 CA THR A 134 11.930 -6.633 -0.547 1.00 0.00 C ATOM 1960 C THR A 134 10.924 -5.755 0.205 1.00 0.00 C ATOM 1961 O THR A 134 11.098 -4.535 0.281 1.00 0.00 O ATOM 1962 CB THR A 134 13.192 -6.845 0.330 1.00 0.00 C ATOM 1963 OG1 THR A 134 14.333 -7.111 -0.497 1.00 0.00 O ATOM 1964 CG2 THR A 134 13.003 -8.005 1.303 1.00 0.00 C ATOM 0 H THR A 134 13.126 -5.470 -1.828 1.00 0.00 H new ATOM 0 HA THR A 134 11.492 -7.610 -0.750 1.00 0.00 H new ATOM 0 HB THR A 134 13.352 -5.930 0.900 1.00 0.00 H new ATOM 0 HG1 THR A 134 15.123 -7.241 0.068 1.00 0.00 H new ATOM 0 HG21 THR A 134 13.905 -8.127 1.903 1.00 0.00 H new ATOM 0 HG22 THR A 134 12.157 -7.796 1.958 1.00 0.00 H new ATOM 0 HG23 THR A 134 12.812 -8.921 0.744 1.00 0.00 H new ATOM 1972 N ILE A 135 9.881 -6.385 0.756 1.00 0.00 N ATOM 1973 CA ILE A 135 8.836 -5.655 1.486 1.00 0.00 C ATOM 1974 C ILE A 135 8.718 -6.120 2.940 1.00 0.00 C ATOM 1975 O ILE A 135 9.073 -7.257 3.269 1.00 0.00 O ATOM 1976 CB ILE A 135 7.442 -5.752 0.783 1.00 0.00 C ATOM 1977 CG1 ILE A 135 6.992 -7.217 0.585 1.00 0.00 C ATOM 1978 CG2 ILE A 135 7.469 -5.013 -0.554 1.00 0.00 C ATOM 1979 CD1 ILE A 135 5.528 -7.460 0.900 1.00 0.00 C ATOM 0 H ILE A 135 9.737 -7.394 0.712 1.00 0.00 H new ATOM 0 HA ILE A 135 9.147 -4.610 1.482 1.00 0.00 H new ATOM 0 HB ILE A 135 6.712 -5.276 1.438 1.00 0.00 H new ATOM 0 HG12 ILE A 135 7.184 -7.509 -0.447 1.00 0.00 H new ATOM 0 HG13 ILE A 135 7.601 -7.862 1.218 1.00 0.00 H new ATOM 0 HG21 ILE A 135 6.492 -5.089 -1.032 1.00 0.00 H new ATOM 0 HG22 ILE A 135 7.709 -3.963 -0.385 1.00 0.00 H new ATOM 0 HG23 ILE A 135 8.225 -5.459 -1.201 1.00 0.00 H new ATOM 0 HD11 ILE A 135 5.290 -8.511 0.737 1.00 0.00 H new ATOM 0 HD12 ILE A 135 5.332 -7.201 1.940 1.00 0.00 H new ATOM 0 HD13 ILE A 135 4.909 -6.843 0.250 1.00 0.00 H new ATOM 1991 N ARG A 136 8.214 -5.223 3.794 1.00 0.00 N ATOM 1992 CA ARG A 136 8.021 -5.514 5.218 1.00 0.00 C ATOM 1993 C ARG A 136 6.578 -5.230 5.602 1.00 0.00 C ATOM 1994 O ARG A 136 6.033 -4.190 5.218 1.00 0.00 O ATOM 1995 CB ARG A 136 8.937 -4.647 6.100 1.00 0.00 C ATOM 1996 CG ARG A 136 10.413 -4.707 5.746 1.00 0.00 C ATOM 1997 CD ARG A 136 11.273 -4.094 6.839 1.00 0.00 C ATOM 1998 NE ARG A 136 12.679 -3.982 6.434 1.00 0.00 N ATOM 1999 CZ ARG A 136 13.726 -4.144 7.256 1.00 0.00 C ATOM 2000 NH1 ARG A 136 13.552 -4.429 8.545 1.00 0.00 N ATOM 2001 NH2 ARG A 136 14.957 -4.019 6.780 1.00 0.00 N ATOM 0 H ARG A 136 7.930 -4.282 3.520 1.00 0.00 H new ATOM 0 HA ARG A 136 8.267 -6.564 5.379 1.00 0.00 H new ATOM 0 HB2 ARG A 136 8.605 -3.611 6.034 1.00 0.00 H new ATOM 0 HB3 ARG A 136 8.815 -4.956 7.138 1.00 0.00 H new ATOM 0 HG2 ARG A 136 10.708 -5.744 5.588 1.00 0.00 H new ATOM 0 HG3 ARG A 136 10.585 -4.180 4.808 1.00 0.00 H new ATOM 0 HD2 ARG A 136 10.889 -3.106 7.091 1.00 0.00 H new ATOM 0 HD3 ARG A 136 11.203 -4.703 7.740 1.00 0.00 H new ATOM 0 HE ARG A 136 12.874 -3.765 5.457 1.00 0.00 H new ATOM 0 HH11 ARG A 136 12.610 -4.528 8.923 1.00 0.00 H new ATOM 0 HH12 ARG A 136 14.361 -4.549 9.155 1.00 0.00 H new ATOM 0 HH21 ARG A 136 15.103 -3.801 5.794 1.00 0.00 H new ATOM 0 HH22 ARG A 136 15.758 -4.141 7.399 1.00 0.00 H new ATOM 2015 N VAL A 137 5.954 -6.144 6.352 1.00 0.00 N ATOM 2016 CA VAL A 137 4.571 -5.940 6.787 1.00 0.00 C ATOM 2017 C VAL A 137 4.430 -6.193 8.292 1.00 0.00 C ATOM 2018 O VAL A 137 4.952 -7.178 8.824 1.00 0.00 O ATOM 2019 CB VAL A 137 3.511 -6.764 5.955 1.00 0.00 C ATOM 2020 CG1 VAL A 137 4.017 -7.140 4.564 1.00 0.00 C ATOM 2021 CG2 VAL A 137 3.034 -8.008 6.677 1.00 0.00 C ATOM 0 H VAL A 137 6.377 -7.018 6.666 1.00 0.00 H new ATOM 0 HA VAL A 137 4.341 -4.894 6.587 1.00 0.00 H new ATOM 0 HB VAL A 137 2.662 -6.090 5.841 1.00 0.00 H new ATOM 0 HG11 VAL A 137 3.248 -7.705 4.037 1.00 0.00 H new ATOM 0 HG12 VAL A 137 4.249 -6.234 4.004 1.00 0.00 H new ATOM 0 HG13 VAL A 137 4.916 -7.750 4.656 1.00 0.00 H new ATOM 0 HG21 VAL A 137 2.307 -8.533 6.057 1.00 0.00 H new ATOM 0 HG22 VAL A 137 3.883 -8.663 6.874 1.00 0.00 H new ATOM 0 HG23 VAL A 137 2.568 -7.725 7.621 1.00 0.00 H new ATOM 2031 N ASN A 138 3.730 -5.271 8.963 1.00 0.00 N ATOM 2032 CA ASN A 138 3.485 -5.338 10.409 1.00 0.00 C ATOM 2033 C ASN A 138 2.161 -4.644 10.763 1.00 0.00 C ATOM 2034 O ASN A 138 1.548 -4.004 9.907 1.00 0.00 O ATOM 2035 CB ASN A 138 4.661 -4.716 11.200 1.00 0.00 C ATOM 2036 CG ASN A 138 5.035 -3.305 10.754 1.00 0.00 C ATOM 2037 OD1 ASN A 138 5.275 -3.056 9.572 1.00 0.00 O ATOM 2038 ND2 ASN A 138 5.086 -2.379 11.705 1.00 0.00 N ATOM 0 H ASN A 138 3.315 -4.453 8.516 1.00 0.00 H new ATOM 0 HA ASN A 138 3.409 -6.388 10.693 1.00 0.00 H new ATOM 0 HB2 ASN A 138 4.402 -4.694 12.258 1.00 0.00 H new ATOM 0 HB3 ASN A 138 5.534 -5.361 11.099 1.00 0.00 H new ATOM 0 HD21 ASN A 138 5.332 -1.418 11.468 1.00 0.00 H new ATOM 0 HD22 ASN A 138 4.880 -2.629 12.672 1.00 0.00 H new ATOM 2045 N LEU A 139 1.722 -4.781 12.024 1.00 0.00 N ATOM 2046 CA LEU A 139 0.475 -4.153 12.491 1.00 0.00 C ATOM 2047 C LEU A 139 0.630 -2.633 12.605 1.00 0.00 C ATOM 2048 O LEU A 139 1.596 -2.144 13.197 1.00 0.00 O ATOM 2049 CB LEU A 139 0.061 -4.729 13.851 1.00 0.00 C ATOM 2050 CG LEU A 139 -0.284 -6.223 13.864 1.00 0.00 C ATOM 2051 CD1 LEU A 139 -0.053 -6.801 15.248 1.00 0.00 C ATOM 2052 CD2 LEU A 139 -1.728 -6.455 13.432 1.00 0.00 C ATOM 0 H LEU A 139 2.211 -5.320 12.738 1.00 0.00 H new ATOM 0 HA LEU A 139 -0.300 -4.370 11.756 1.00 0.00 H new ATOM 0 HB2 LEU A 139 0.871 -4.556 14.560 1.00 0.00 H new ATOM 0 HB3 LEU A 139 -0.804 -4.172 14.213 1.00 0.00 H new ATOM 0 HG LEU A 139 0.369 -6.729 13.153 1.00 0.00 H new ATOM 0 HD11 LEU A 139 -0.301 -7.862 15.245 1.00 0.00 H new ATOM 0 HD12 LEU A 139 0.993 -6.674 15.525 1.00 0.00 H new ATOM 0 HD13 LEU A 139 -0.685 -6.282 15.969 1.00 0.00 H new ATOM 0 HD21 LEU A 139 -1.946 -7.523 13.450 1.00 0.00 H new ATOM 0 HD22 LEU A 139 -2.400 -5.936 14.115 1.00 0.00 H new ATOM 0 HD23 LEU A 139 -1.871 -6.073 12.421 1.00 0.00 H new ATOM 2064 N ALA A 140 -0.331 -1.902 12.029 1.00 0.00 N ATOM 2065 CA ALA A 140 -0.317 -0.438 12.044 1.00 0.00 C ATOM 2066 C ALA A 140 -1.208 0.110 13.155 1.00 0.00 C ATOM 2067 CB ALA A 140 -0.760 0.107 10.691 1.00 0.00 C ATOM 0 H ALA A 140 -1.133 -2.305 11.544 1.00 0.00 H new ATOM 0 HA ALA A 140 0.704 -0.111 12.240 1.00 0.00 H new ATOM 0 HB1 ALA A 140 -0.745 1.197 10.715 1.00 0.00 H new ATOM 0 HB2 ALA A 140 -0.081 -0.248 9.916 1.00 0.00 H new ATOM 0 HB3 ALA A 140 -1.771 -0.237 10.473 1.00 0.00 H new