USER MOD reduce.3.24.130724 H: found=0, std=0, add=584, rem=0, adj=7 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 136:sc= 0.442 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 HIS : no HD1:sc= -3.29! K(o=-3.3!,f=-1.3) USER MOD Single : A 91 THR OG1 : rot -139:sc= -1.87! 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= -0.55 USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 HIS : no HD1:sc= -2.89 X(o=-2.9,f=-2.6) USER MOD Single : A 124 ASN : amide:sc= -0.164 X(o=-0.16,f=-0.19) USER MOD Single : A 125 MET CE :methyl 151:sc= -0.405 (180deg=-0.87) USER MOD Single : A 126 ASN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 128 SER OG : rot 150:sc= -0.277 USER MOD Single : A 134 THR OG1 : rot 180:sc= 0 USER MOD Single : A 138 ASN : amide:sc= -0.0645 X(o=-0.064,f=-0.064) USER MOD ----------------------------------------------------------------- ATOM 882 N ARG A 64 -6.182 -4.117 12.407 1.00 0.00 N ATOM 883 CA ARG A 64 -6.510 -4.660 11.082 1.00 0.00 C ATOM 884 C ARG A 64 -5.711 -3.946 9.975 1.00 0.00 C ATOM 885 O ARG A 64 -5.874 -4.246 8.787 1.00 0.00 O ATOM 886 CB ARG A 64 -8.018 -4.535 10.809 1.00 0.00 C ATOM 887 CG ARG A 64 -8.894 -5.342 11.757 1.00 0.00 C ATOM 888 CD ARG A 64 -10.356 -5.285 11.349 1.00 0.00 C ATOM 889 NE ARG A 64 -11.219 -6.003 12.293 1.00 0.00 N ATOM 890 CZ ARG A 64 -12.333 -5.502 12.848 1.00 0.00 C ATOM 891 NH1 ARG A 64 -12.744 -4.265 12.577 1.00 0.00 N ATOM 892 NH2 ARG A 64 -13.041 -6.251 13.682 1.00 0.00 N ATOM 0 HA ARG A 64 -6.235 -5.715 11.075 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -8.302 -3.485 10.876 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -8.218 -4.855 9.786 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -8.559 -6.379 11.770 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -8.783 -4.959 12.771 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -10.674 -4.244 11.286 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -10.472 -5.714 10.354 1.00 0.00 H new ATOM 0 HE ARG A 64 -10.952 -6.954 12.546 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -12.209 -3.679 11.936 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -13.594 -3.904 13.010 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -12.738 -7.201 13.897 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -13.889 -5.878 14.108 1.00 0.00 H new ATOM 906 N VAL A 65 -4.838 -3.014 10.385 1.00 0.00 N ATOM 907 CA VAL A 65 -4.004 -2.238 9.456 1.00 0.00 C ATOM 908 C VAL A 65 -2.582 -2.804 9.444 1.00 0.00 C ATOM 909 O VAL A 65 -2.024 -3.101 10.502 1.00 0.00 O ATOM 910 CB VAL A 65 -3.960 -0.726 9.845 1.00 0.00 C ATOM 911 CG1 VAL A 65 -3.228 0.108 8.792 1.00 0.00 C ATOM 912 CG2 VAL A 65 -5.368 -0.170 10.061 1.00 0.00 C ATOM 0 H VAL A 65 -4.691 -2.778 11.366 1.00 0.00 H new ATOM 0 HA VAL A 65 -4.447 -2.318 8.463 1.00 0.00 H new ATOM 0 HB VAL A 65 -3.407 -0.656 10.781 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -3.218 1.154 9.098 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -2.203 -0.250 8.692 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -3.740 0.015 7.834 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -5.305 0.884 10.331 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -5.946 -0.276 9.143 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -5.858 -0.721 10.864 1.00 0.00 H new ATOM 922 N LEU A 66 -2.014 -2.962 8.242 1.00 0.00 N ATOM 923 CA LEU A 66 -0.654 -3.491 8.094 1.00 0.00 C ATOM 924 C LEU A 66 0.217 -2.518 7.306 1.00 0.00 C ATOM 925 O LEU A 66 -0.273 -1.820 6.412 1.00 0.00 O ATOM 926 CB LEU A 66 -0.638 -4.886 7.421 1.00 0.00 C ATOM 927 CG LEU A 66 -1.971 -5.658 7.367 1.00 0.00 C ATOM 928 CD1 LEU A 66 -1.864 -6.811 6.382 1.00 0.00 C ATOM 929 CD2 LEU A 66 -2.376 -6.176 8.744 1.00 0.00 C ATOM 0 H LEU A 66 -2.474 -2.732 7.361 1.00 0.00 H new ATOM 0 HA LEU A 66 -0.246 -3.607 9.098 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -0.277 -4.764 6.400 1.00 0.00 H new ATOM 0 HB3 LEU A 66 0.090 -5.505 7.945 1.00 0.00 H new ATOM 0 HG LEU A 66 -2.745 -4.968 7.032 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -2.810 -7.351 6.350 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -1.635 -6.422 5.390 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -1.070 -7.488 6.699 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -3.320 -6.715 8.667 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -1.605 -6.847 9.121 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -2.493 -5.336 9.429 1.00 0.00 H new ATOM 941 N TYR A 67 1.507 -2.484 7.645 1.00 0.00 N ATOM 942 CA TYR A 67 2.473 -1.615 6.977 1.00 0.00 C ATOM 943 C TYR A 67 3.270 -2.416 5.949 1.00 0.00 C ATOM 944 O TYR A 67 3.874 -3.434 6.285 1.00 0.00 O ATOM 945 CB TYR A 67 3.416 -0.976 8.022 1.00 0.00 C ATOM 946 CG TYR A 67 4.509 -0.082 7.448 1.00 0.00 C ATOM 947 CD1 TYR A 67 5.749 -0.611 7.099 1.00 0.00 C ATOM 948 CD2 TYR A 67 4.298 1.276 7.252 1.00 0.00 C ATOM 949 CE1 TYR A 67 6.746 0.190 6.575 1.00 0.00 C ATOM 950 CE2 TYR A 67 5.292 2.083 6.728 1.00 0.00 C ATOM 951 CZ TYR A 67 6.513 1.535 6.392 1.00 0.00 C ATOM 952 OH TYR A 67 7.503 2.335 5.870 1.00 0.00 O ATOM 0 H TYR A 67 1.909 -3.056 8.388 1.00 0.00 H new ATOM 0 HA TYR A 67 1.942 -0.818 6.457 1.00 0.00 H new ATOM 0 HB2 TYR A 67 2.817 -0.389 8.718 1.00 0.00 H new ATOM 0 HB3 TYR A 67 3.886 -1.772 8.599 1.00 0.00 H new ATOM 0 HD1 TYR A 67 5.935 -1.665 7.240 1.00 0.00 H new ATOM 0 HD2 TYR A 67 3.344 1.709 7.513 1.00 0.00 H new ATOM 0 HE1 TYR A 67 7.702 -0.236 6.311 1.00 0.00 H new ATOM 0 HE2 TYR A 67 5.113 3.138 6.582 1.00 0.00 H new ATOM 0 HH TYR A 67 7.118 2.934 5.197 1.00 0.00 H new ATOM 962 N VAL A 68 3.263 -1.941 4.704 1.00 0.00 N ATOM 963 CA VAL A 68 4.005 -2.594 3.625 1.00 0.00 C ATOM 964 C VAL A 68 5.056 -1.640 3.061 1.00 0.00 C ATOM 965 O VAL A 68 4.720 -0.568 2.551 1.00 0.00 O ATOM 966 CB VAL A 68 3.084 -3.127 2.482 1.00 0.00 C ATOM 967 CG1 VAL A 68 2.436 -4.440 2.897 1.00 0.00 C ATOM 968 CG2 VAL A 68 2.008 -2.121 2.066 1.00 0.00 C ATOM 0 H VAL A 68 2.752 -1.106 4.417 1.00 0.00 H new ATOM 0 HA VAL A 68 4.494 -3.466 4.060 1.00 0.00 H new ATOM 0 HB VAL A 68 3.723 -3.288 1.614 1.00 0.00 H new ATOM 0 HG11 VAL A 68 1.797 -4.801 2.091 1.00 0.00 H new ATOM 0 HG12 VAL A 68 3.210 -5.179 3.104 1.00 0.00 H new ATOM 0 HG13 VAL A 68 1.836 -4.282 3.793 1.00 0.00 H new ATOM 0 HG21 VAL A 68 1.400 -2.548 1.269 1.00 0.00 H new ATOM 0 HG22 VAL A 68 1.374 -1.891 2.923 1.00 0.00 H new ATOM 0 HG23 VAL A 68 2.483 -1.207 1.710 1.00 0.00 H new ATOM 978 N GLY A 69 6.325 -2.046 3.168 1.00 0.00 N ATOM 979 CA GLY A 69 7.425 -1.229 2.682 1.00 0.00 C ATOM 980 C GLY A 69 8.356 -1.994 1.770 1.00 0.00 C ATOM 981 O GLY A 69 8.532 -3.202 1.935 1.00 0.00 O ATOM 0 H GLY A 69 6.608 -2.932 3.586 1.00 0.00 H new ATOM 0 HA2 GLY A 69 7.025 -0.368 2.147 1.00 0.00 H new ATOM 0 HA3 GLY A 69 7.989 -0.843 3.531 1.00 0.00 H new ATOM 985 N GLY A 70 8.955 -1.280 0.818 1.00 0.00 N ATOM 986 CA GLY A 70 9.867 -1.896 -0.135 1.00 0.00 C ATOM 987 C GLY A 70 9.229 -2.071 -1.500 1.00 0.00 C ATOM 988 O GLY A 70 9.641 -2.933 -2.280 1.00 0.00 O ATOM 0 H GLY A 70 8.823 -0.277 0.689 1.00 0.00 H new ATOM 0 HA2 GLY A 70 10.762 -1.281 -0.229 1.00 0.00 H new ATOM 0 HA3 GLY A 70 10.185 -2.867 0.244 1.00 0.00 H new ATOM 992 N LEU A 71 8.214 -1.242 -1.774 1.00 0.00 N ATOM 993 CA LEU A 71 7.483 -1.270 -3.041 1.00 0.00 C ATOM 994 C LEU A 71 8.131 -0.336 -4.063 1.00 0.00 C ATOM 995 O LEU A 71 9.001 0.473 -3.722 1.00 0.00 O ATOM 996 CB LEU A 71 6.012 -0.869 -2.841 1.00 0.00 C ATOM 997 CG LEU A 71 5.253 -1.593 -1.725 1.00 0.00 C ATOM 998 CD1 LEU A 71 5.332 -0.796 -0.443 1.00 0.00 C ATOM 999 CD2 LEU A 71 3.803 -1.811 -2.124 1.00 0.00 C ATOM 0 H LEU A 71 7.878 -0.534 -1.121 1.00 0.00 H new ATOM 0 HA LEU A 71 7.521 -2.292 -3.417 1.00 0.00 H new ATOM 0 HB2 LEU A 71 5.974 0.202 -2.640 1.00 0.00 H new ATOM 0 HB3 LEU A 71 5.482 -1.037 -3.779 1.00 0.00 H new ATOM 0 HG LEU A 71 5.715 -2.567 -1.562 1.00 0.00 H new ATOM 0 HD11 LEU A 71 4.789 -1.319 0.345 1.00 0.00 H new ATOM 0 HD12 LEU A 71 6.376 -0.681 -0.150 1.00 0.00 H new ATOM 0 HD13 LEU A 71 4.888 0.187 -0.598 1.00 0.00 H new ATOM 0 HD21 LEU A 71 3.278 -2.327 -1.320 1.00 0.00 H new ATOM 0 HD22 LEU A 71 3.328 -0.848 -2.309 1.00 0.00 H new ATOM 0 HD23 LEU A 71 3.762 -2.415 -3.030 1.00 0.00 H new ATOM 1011 N ALA A 72 7.691 -0.463 -5.312 1.00 0.00 N ATOM 1012 CA ALA A 72 8.203 0.343 -6.417 1.00 0.00 C ATOM 1013 C ALA A 72 7.305 1.552 -6.687 1.00 0.00 C ATOM 1014 O ALA A 72 6.159 1.591 -6.247 1.00 0.00 O ATOM 1015 CB ALA A 72 8.320 -0.518 -7.662 1.00 0.00 C ATOM 0 H ALA A 72 6.969 -1.128 -5.587 1.00 0.00 H new ATOM 0 HA ALA A 72 9.188 0.720 -6.142 1.00 0.00 H new ATOM 0 HB1 ALA A 72 8.702 0.084 -8.486 1.00 0.00 H new ATOM 0 HB2 ALA A 72 9.003 -1.345 -7.470 1.00 0.00 H new ATOM 0 HB3 ALA A 72 7.338 -0.912 -7.925 1.00 0.00 H new ATOM 1021 N GLU A 73 7.845 2.549 -7.397 1.00 0.00 N ATOM 1022 CA GLU A 73 7.096 3.773 -7.744 1.00 0.00 C ATOM 1023 C GLU A 73 5.977 3.485 -8.748 1.00 0.00 C ATOM 1024 O GLU A 73 4.929 4.137 -8.727 1.00 0.00 O ATOM 1025 CB GLU A 73 8.046 4.824 -8.314 1.00 0.00 C ATOM 1026 CG GLU A 73 9.091 5.278 -7.315 1.00 0.00 C ATOM 1027 CD GLU A 73 10.143 6.180 -7.929 1.00 0.00 C ATOM 1028 OE1 GLU A 73 11.020 5.661 -8.651 1.00 0.00 O ATOM 1029 OE2 GLU A 73 10.090 7.403 -7.687 1.00 0.00 O ATOM 0 H GLU A 73 8.803 2.536 -7.747 1.00 0.00 H new ATOM 0 HA GLU A 73 6.638 4.151 -6.830 1.00 0.00 H new ATOM 0 HB2 GLU A 73 8.544 4.417 -9.194 1.00 0.00 H new ATOM 0 HB3 GLU A 73 7.468 5.687 -8.645 1.00 0.00 H new ATOM 0 HG2 GLU A 73 8.600 5.806 -6.498 1.00 0.00 H new ATOM 0 HG3 GLU A 73 9.577 4.403 -6.883 1.00 0.00 H new ATOM 1036 N GLU A 74 6.222 2.499 -9.622 1.00 0.00 N ATOM 1037 CA GLU A 74 5.257 2.084 -10.647 1.00 0.00 C ATOM 1038 C GLU A 74 4.111 1.250 -10.052 1.00 0.00 C ATOM 1039 O GLU A 74 3.137 0.947 -10.751 1.00 0.00 O ATOM 1040 CB GLU A 74 5.961 1.291 -11.756 1.00 0.00 C ATOM 1041 CG GLU A 74 6.910 2.123 -12.606 1.00 0.00 C ATOM 1042 CD GLU A 74 7.540 1.323 -13.730 1.00 0.00 C ATOM 1043 OE1 GLU A 74 8.454 0.519 -13.447 1.00 0.00 O ATOM 1044 OE2 GLU A 74 7.118 1.499 -14.893 1.00 0.00 O ATOM 0 H GLU A 74 7.093 1.968 -9.638 1.00 0.00 H new ATOM 0 HA GLU A 74 4.824 2.990 -11.070 1.00 0.00 H new ATOM 0 HB2 GLU A 74 6.519 0.471 -11.304 1.00 0.00 H new ATOM 0 HB3 GLU A 74 5.207 0.844 -12.404 1.00 0.00 H new ATOM 0 HG2 GLU A 74 6.367 2.969 -13.027 1.00 0.00 H new ATOM 0 HG3 GLU A 74 7.696 2.532 -11.971 1.00 0.00 H new ATOM 1051 N VAL A 75 4.227 0.888 -8.758 1.00 0.00 N ATOM 1052 CA VAL A 75 3.192 0.089 -8.083 1.00 0.00 C ATOM 1053 C VAL A 75 1.991 0.979 -7.686 1.00 0.00 C ATOM 1054 O VAL A 75 2.169 2.056 -7.109 1.00 0.00 O ATOM 1055 CB VAL A 75 3.788 -0.708 -6.866 1.00 0.00 C ATOM 1056 CG1 VAL A 75 3.873 0.109 -5.582 1.00 0.00 C ATOM 1057 CG2 VAL A 75 3.007 -1.989 -6.615 1.00 0.00 C ATOM 0 H VAL A 75 5.021 1.135 -8.167 1.00 0.00 H new ATOM 0 HA VAL A 75 2.818 -0.659 -8.782 1.00 0.00 H new ATOM 0 HB VAL A 75 4.811 -0.954 -7.151 1.00 0.00 H new ATOM 0 HG11 VAL A 75 4.293 -0.506 -4.786 1.00 0.00 H new ATOM 0 HG12 VAL A 75 4.511 0.977 -5.745 1.00 0.00 H new ATOM 0 HG13 VAL A 75 2.875 0.441 -5.295 1.00 0.00 H new ATOM 0 HG21 VAL A 75 3.441 -2.520 -5.768 1.00 0.00 H new ATOM 0 HG22 VAL A 75 1.968 -1.744 -6.396 1.00 0.00 H new ATOM 0 HG23 VAL A 75 3.052 -2.622 -7.501 1.00 0.00 H new ATOM 1067 N ASP A 76 0.781 0.515 -8.026 1.00 0.00 N ATOM 1068 CA ASP A 76 -0.454 1.263 -7.751 1.00 0.00 C ATOM 1069 C ASP A 76 -1.355 0.533 -6.747 1.00 0.00 C ATOM 1070 O ASP A 76 -1.055 -0.590 -6.331 1.00 0.00 O ATOM 1071 CB ASP A 76 -1.215 1.515 -9.067 1.00 0.00 C ATOM 1072 CG ASP A 76 -0.460 2.410 -10.042 1.00 0.00 C ATOM 1073 OD1 ASP A 76 0.167 3.396 -9.594 1.00 0.00 O ATOM 1074 OD2 ASP A 76 -0.497 2.121 -11.257 1.00 0.00 O ATOM 0 H ASP A 76 0.631 -0.379 -8.494 1.00 0.00 H new ATOM 0 HA ASP A 76 -0.174 2.216 -7.302 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -1.420 0.559 -9.548 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -2.179 1.971 -8.839 1.00 0.00 H new ATOM 1079 N ASP A 77 -2.468 1.193 -6.363 1.00 0.00 N ATOM 1080 CA ASP A 77 -3.450 0.645 -5.407 1.00 0.00 C ATOM 1081 C ASP A 77 -4.080 -0.660 -5.910 1.00 0.00 C ATOM 1082 O ASP A 77 -4.398 -1.552 -5.120 1.00 0.00 O ATOM 1083 CB ASP A 77 -4.562 1.667 -5.145 1.00 0.00 C ATOM 1084 CG ASP A 77 -4.086 2.874 -4.359 1.00 0.00 C ATOM 1085 OD1 ASP A 77 -3.647 3.858 -4.989 1.00 0.00 O ATOM 1086 OD2 ASP A 77 -4.152 2.832 -3.112 1.00 0.00 O ATOM 0 H ASP A 77 -2.710 2.122 -6.708 1.00 0.00 H new ATOM 0 HA ASP A 77 -2.910 0.430 -4.485 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -4.973 2.000 -6.098 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -5.372 1.182 -4.600 1.00 0.00 H new ATOM 1091 N LYS A 78 -4.249 -0.746 -7.237 1.00 0.00 N ATOM 1092 CA LYS A 78 -4.849 -1.914 -7.904 1.00 0.00 C ATOM 1093 C LYS A 78 -3.940 -3.133 -7.772 1.00 0.00 C ATOM 1094 O LYS A 78 -4.401 -4.257 -7.552 1.00 0.00 O ATOM 1095 CB LYS A 78 -5.078 -1.601 -9.387 1.00 0.00 C ATOM 1096 CG LYS A 78 -6.020 -0.435 -9.634 1.00 0.00 C ATOM 1097 CD LYS A 78 -6.158 -0.145 -11.114 1.00 0.00 C ATOM 1098 CE LYS A 78 -6.952 1.126 -11.354 1.00 0.00 C ATOM 1099 NZ LYS A 78 -6.817 1.611 -12.755 1.00 0.00 N ATOM 0 H LYS A 78 -3.973 -0.005 -7.882 1.00 0.00 H new ATOM 0 HA LYS A 78 -5.803 -2.136 -7.426 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -4.118 -1.384 -9.855 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -5.478 -2.488 -9.877 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -7.000 -0.660 -9.212 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -5.648 0.451 -9.120 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -5.169 -0.049 -11.562 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -6.651 -0.983 -11.607 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -8.004 0.944 -11.133 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -6.612 1.901 -10.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -7.374 2.481 -12.877 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -5.817 1.810 -12.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -7.165 0.882 -13.410 1.00 0.00 H new ATOM 1113 N VAL A 79 -2.637 -2.871 -7.916 1.00 0.00 N ATOM 1114 CA VAL A 79 -1.585 -3.872 -7.817 1.00 0.00 C ATOM 1115 C VAL A 79 -1.466 -4.408 -6.372 1.00 0.00 C ATOM 1116 O VAL A 79 -1.376 -5.622 -6.159 1.00 0.00 O ATOM 1117 CB VAL A 79 -0.239 -3.243 -8.281 1.00 0.00 C ATOM 1118 CG1 VAL A 79 0.897 -4.235 -8.205 1.00 0.00 C ATOM 1119 CG2 VAL A 79 -0.345 -2.691 -9.700 1.00 0.00 C ATOM 0 H VAL A 79 -2.283 -1.934 -8.109 1.00 0.00 H new ATOM 0 HA VAL A 79 -1.833 -4.716 -8.461 1.00 0.00 H new ATOM 0 HB VAL A 79 -0.025 -2.421 -7.598 1.00 0.00 H new ATOM 0 HG11 VAL A 79 1.819 -3.758 -8.537 1.00 0.00 H new ATOM 0 HG12 VAL A 79 1.015 -4.575 -7.176 1.00 0.00 H new ATOM 0 HG13 VAL A 79 0.678 -5.088 -8.847 1.00 0.00 H new ATOM 0 HG21 VAL A 79 0.611 -2.259 -9.995 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -0.605 -3.497 -10.386 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -1.117 -1.922 -9.735 1.00 0.00 H new ATOM 1129 N LEU A 80 -1.488 -3.485 -5.395 1.00 0.00 N ATOM 1130 CA LEU A 80 -1.383 -3.835 -3.967 1.00 0.00 C ATOM 1131 C LEU A 80 -2.643 -4.559 -3.473 1.00 0.00 C ATOM 1132 O LEU A 80 -2.556 -5.484 -2.660 1.00 0.00 O ATOM 1133 CB LEU A 80 -1.143 -2.570 -3.128 1.00 0.00 C ATOM 1134 CG LEU A 80 -0.312 -2.765 -1.848 1.00 0.00 C ATOM 1135 CD1 LEU A 80 0.406 -1.476 -1.479 1.00 0.00 C ATOM 1136 CD2 LEU A 80 -1.183 -3.229 -0.688 1.00 0.00 C ATOM 0 H LEU A 80 -1.578 -2.484 -5.570 1.00 0.00 H new ATOM 0 HA LEU A 80 -0.537 -4.512 -3.851 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -0.644 -1.831 -3.754 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -2.110 -2.151 -2.851 1.00 0.00 H new ATOM 0 HG LEU A 80 0.428 -3.540 -2.047 1.00 0.00 H new ATOM 0 HD11 LEU A 80 0.989 -1.631 -0.571 1.00 0.00 H new ATOM 0 HD12 LEU A 80 1.071 -1.184 -2.292 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -0.327 -0.687 -1.309 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -0.566 -3.358 0.201 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -1.953 -2.484 -0.491 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -1.654 -4.178 -0.943 1.00 0.00 H new ATOM 1148 N HIS A 81 -3.809 -4.122 -3.976 1.00 0.00 N ATOM 1149 CA HIS A 81 -5.108 -4.707 -3.612 1.00 0.00 C ATOM 1150 C HIS A 81 -5.245 -6.142 -4.155 1.00 0.00 C ATOM 1151 O HIS A 81 -5.612 -7.061 -3.417 1.00 0.00 O ATOM 1152 CB HIS A 81 -6.240 -3.812 -4.153 1.00 0.00 C ATOM 1153 CG HIS A 81 -7.591 -4.071 -3.550 1.00 0.00 C ATOM 1154 ND1 HIS A 81 -7.999 -3.520 -2.354 1.00 0.00 N ATOM 1155 CD2 HIS A 81 -8.630 -4.818 -3.992 1.00 0.00 C ATOM 1156 CE1 HIS A 81 -9.231 -3.917 -2.087 1.00 0.00 C ATOM 1157 NE2 HIS A 81 -9.636 -4.705 -3.065 1.00 0.00 N ATOM 0 H HIS A 81 -3.877 -3.355 -4.645 1.00 0.00 H new ATOM 0 HA HIS A 81 -5.177 -4.761 -2.525 1.00 0.00 H new ATOM 0 HB2 HIS A 81 -5.974 -2.769 -3.979 1.00 0.00 H new ATOM 0 HB3 HIS A 81 -6.307 -3.948 -5.232 1.00 0.00 H new ATOM 0 HD2 HIS A 81 -8.661 -5.395 -4.904 1.00 0.00 H new ATOM 0 HE1 HIS A 81 -9.808 -3.643 -1.216 1.00 0.00 H new ATOM 0 HE2 HIS A 81 -10.549 -5.157 -3.123 1.00 0.00 H new ATOM 1166 N ALA A 82 -4.932 -6.312 -5.449 1.00 0.00 N ATOM 1167 CA ALA A 82 -5.016 -7.610 -6.133 1.00 0.00 C ATOM 1168 C ALA A 82 -3.935 -8.607 -5.682 1.00 0.00 C ATOM 1169 O ALA A 82 -4.103 -9.817 -5.854 1.00 0.00 O ATOM 1170 CB ALA A 82 -4.940 -7.407 -7.638 1.00 0.00 C ATOM 0 H ALA A 82 -4.613 -5.552 -6.050 1.00 0.00 H new ATOM 0 HA ALA A 82 -5.976 -8.047 -5.859 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -5.003 -8.373 -8.139 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -5.767 -6.776 -7.962 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -3.995 -6.927 -7.893 1.00 0.00 H new ATOM 1176 N ALA A 83 -2.833 -8.094 -5.107 1.00 0.00 N ATOM 1177 CA ALA A 83 -1.718 -8.937 -4.658 1.00 0.00 C ATOM 1178 C ALA A 83 -1.971 -9.490 -3.261 1.00 0.00 C ATOM 1179 O ALA A 83 -1.572 -10.613 -2.942 1.00 0.00 O ATOM 1180 CB ALA A 83 -0.416 -8.150 -4.687 1.00 0.00 C ATOM 0 H ALA A 83 -2.694 -7.097 -4.943 1.00 0.00 H new ATOM 0 HA ALA A 83 -1.637 -9.781 -5.344 1.00 0.00 H new ATOM 0 HB1 ALA A 83 0.402 -8.788 -4.352 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -0.218 -7.811 -5.704 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -0.498 -7.287 -4.026 1.00 0.00 H new ATOM 1186 N PHE A 84 -2.638 -8.677 -2.443 1.00 0.00 N ATOM 1187 CA PHE A 84 -2.964 -9.036 -1.071 1.00 0.00 C ATOM 1188 C PHE A 84 -4.402 -9.562 -0.937 1.00 0.00 C ATOM 1189 O PHE A 84 -4.820 -9.961 0.155 1.00 0.00 O ATOM 1190 CB PHE A 84 -2.765 -7.818 -0.172 1.00 0.00 C ATOM 1191 CG PHE A 84 -1.326 -7.510 0.138 1.00 0.00 C ATOM 1192 CD1 PHE A 84 -0.591 -6.665 -0.677 1.00 0.00 C ATOM 1193 CD2 PHE A 84 -0.711 -8.067 1.250 1.00 0.00 C ATOM 1194 CE1 PHE A 84 0.731 -6.380 -0.389 1.00 0.00 C ATOM 1195 CE2 PHE A 84 0.610 -7.786 1.541 1.00 0.00 C ATOM 1196 CZ PHE A 84 1.331 -6.941 0.720 1.00 0.00 C ATOM 0 H PHE A 84 -2.966 -7.751 -2.717 1.00 0.00 H new ATOM 0 HA PHE A 84 -2.297 -9.842 -0.765 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -3.216 -6.949 -0.651 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -3.300 -7.980 0.764 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -1.055 -6.224 -1.547 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -1.271 -8.728 1.895 1.00 0.00 H new ATOM 0 HE1 PHE A 84 1.294 -5.719 -1.031 1.00 0.00 H new ATOM 0 HE2 PHE A 84 1.078 -8.226 2.409 1.00 0.00 H new ATOM 0 HZ PHE A 84 2.364 -6.719 0.946 1.00 0.00 H new ATOM 1206 N ILE A 85 -5.150 -9.570 -2.056 1.00 0.00 N ATOM 1207 CA ILE A 85 -6.545 -10.040 -2.073 1.00 0.00 C ATOM 1208 C ILE A 85 -6.693 -11.585 -1.861 1.00 0.00 C ATOM 1209 O ILE A 85 -7.706 -12.001 -1.295 1.00 0.00 O ATOM 1210 CB ILE A 85 -7.301 -9.547 -3.363 1.00 0.00 C ATOM 1211 CG1 ILE A 85 -8.830 -9.623 -3.180 1.00 0.00 C ATOM 1212 CG2 ILE A 85 -6.884 -10.313 -4.620 1.00 0.00 C ATOM 1213 CD1 ILE A 85 -9.439 -8.416 -2.489 1.00 0.00 C ATOM 0 H ILE A 85 -4.808 -9.254 -2.964 1.00 0.00 H new ATOM 0 HA ILE A 85 -7.025 -9.584 -1.207 1.00 0.00 H new ATOM 0 HB ILE A 85 -7.013 -8.505 -3.504 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -9.296 -9.740 -4.159 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -9.071 -10.516 -2.604 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -7.437 -9.932 -5.479 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -5.815 -10.181 -4.789 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -7.103 -11.373 -4.490 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -10.517 -8.552 -2.401 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -9.005 -8.308 -1.495 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -9.233 -7.520 -3.074 1.00 0.00 H new ATOM 1225 N PRO A 86 -5.720 -12.468 -2.298 1.00 0.00 N ATOM 1226 CA PRO A 86 -5.842 -13.937 -2.095 1.00 0.00 C ATOM 1227 C PRO A 86 -5.964 -14.347 -0.619 1.00 0.00 C ATOM 1228 O PRO A 86 -6.501 -15.416 -0.312 1.00 0.00 O ATOM 1229 CB PRO A 86 -4.545 -14.500 -2.686 1.00 0.00 C ATOM 1230 CG PRO A 86 -4.084 -13.464 -3.646 1.00 0.00 C ATOM 1231 CD PRO A 86 -4.463 -12.151 -3.028 1.00 0.00 C ATOM 0 HA PRO A 86 -6.750 -14.315 -2.564 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -3.801 -14.679 -1.909 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -4.719 -15.453 -3.186 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -3.008 -13.527 -3.805 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -4.558 -13.592 -4.619 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -3.688 -11.784 -2.355 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -4.619 -11.381 -3.783 1.00 0.00 H new ATOM 1239 N PHE A 87 -5.461 -13.489 0.285 1.00 0.00 N ATOM 1240 CA PHE A 87 -5.504 -13.749 1.735 1.00 0.00 C ATOM 1241 C PHE A 87 -6.881 -13.427 2.328 1.00 0.00 C ATOM 1242 O PHE A 87 -7.311 -14.063 3.296 1.00 0.00 O ATOM 1243 CB PHE A 87 -4.433 -12.924 2.471 1.00 0.00 C ATOM 1244 CG PHE A 87 -3.040 -13.066 1.907 1.00 0.00 C ATOM 1245 CD1 PHE A 87 -2.286 -14.206 2.150 1.00 0.00 C ATOM 1246 CD2 PHE A 87 -2.490 -12.057 1.130 1.00 0.00 C ATOM 1247 CE1 PHE A 87 -1.015 -14.336 1.628 1.00 0.00 C ATOM 1248 CE2 PHE A 87 -1.216 -12.183 0.607 1.00 0.00 C ATOM 1249 CZ PHE A 87 -0.479 -13.324 0.857 1.00 0.00 C ATOM 0 H PHE A 87 -5.018 -12.605 0.036 1.00 0.00 H new ATOM 0 HA PHE A 87 -5.305 -14.812 1.872 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -4.718 -11.872 2.442 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -4.419 -13.222 3.519 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -2.699 -15.000 2.754 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -3.063 -11.163 0.931 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -0.440 -15.229 1.823 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -0.798 -11.390 0.004 1.00 0.00 H new ATOM 0 HZ PHE A 87 0.516 -13.424 0.450 1.00 0.00 H new ATOM 1259 N GLY A 88 -7.557 -12.437 1.733 1.00 0.00 N ATOM 1260 CA GLY A 88 -8.874 -12.022 2.195 1.00 0.00 C ATOM 1261 C GLY A 88 -9.371 -10.784 1.475 1.00 0.00 C ATOM 1262 O GLY A 88 -8.824 -10.402 0.436 1.00 0.00 O ATOM 0 H GLY A 88 -7.208 -11.912 0.931 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -9.583 -12.836 2.045 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -8.836 -11.826 3.267 1.00 0.00 H new ATOM 1266 N ASP A 89 -10.410 -10.152 2.032 1.00 0.00 N ATOM 1267 CA ASP A 89 -10.992 -8.943 1.446 1.00 0.00 C ATOM 1268 C ASP A 89 -10.331 -7.690 2.015 1.00 0.00 C ATOM 1269 O ASP A 89 -10.168 -7.563 3.233 1.00 0.00 O ATOM 1270 CB ASP A 89 -12.498 -8.899 1.701 1.00 0.00 C ATOM 1271 CG ASP A 89 -13.290 -8.576 0.447 1.00 0.00 C ATOM 1272 OD1 ASP A 89 -13.228 -9.369 -0.517 1.00 0.00 O ATOM 1273 OD2 ASP A 89 -13.972 -7.530 0.430 1.00 0.00 O ATOM 0 H ASP A 89 -10.865 -10.460 2.891 1.00 0.00 H new ATOM 0 HA ASP A 89 -10.815 -8.970 0.371 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -12.825 -9.861 2.096 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -12.712 -8.152 2.465 1.00 0.00 H new ATOM 1278 N ILE A 90 -9.958 -6.773 1.119 1.00 0.00 N ATOM 1279 CA ILE A 90 -9.302 -5.520 1.503 1.00 0.00 C ATOM 1280 C ILE A 90 -10.258 -4.344 1.292 1.00 0.00 C ATOM 1281 O ILE A 90 -11.019 -4.320 0.319 1.00 0.00 O ATOM 1282 CB ILE A 90 -7.984 -5.292 0.698 1.00 0.00 C ATOM 1283 CG1 ILE A 90 -7.049 -6.501 0.842 1.00 0.00 C ATOM 1284 CG2 ILE A 90 -7.253 -4.025 1.152 1.00 0.00 C ATOM 1285 CD1 ILE A 90 -6.440 -6.949 -0.467 1.00 0.00 C ATOM 0 H ILE A 90 -10.101 -6.876 0.114 1.00 0.00 H new ATOM 0 HA ILE A 90 -9.039 -5.589 2.559 1.00 0.00 H new ATOM 0 HB ILE A 90 -8.264 -5.169 -0.348 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -6.249 -6.251 1.539 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -7.605 -7.331 1.278 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -6.341 -3.902 0.568 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -7.899 -3.159 1.004 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -6.998 -4.111 2.208 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -5.791 -7.807 -0.292 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -7.233 -7.230 -1.160 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -5.856 -6.134 -0.895 1.00 0.00 H new ATOM 1297 N THR A 91 -10.206 -3.378 2.216 1.00 0.00 N ATOM 1298 CA THR A 91 -11.063 -2.191 2.158 1.00 0.00 C ATOM 1299 C THR A 91 -10.454 -1.088 1.284 1.00 0.00 C ATOM 1300 O THR A 91 -11.051 -0.703 0.274 1.00 0.00 O ATOM 1301 CB THR A 91 -11.356 -1.629 3.570 1.00 0.00 C ATOM 1302 OG1 THR A 91 -10.155 -1.595 4.348 1.00 0.00 O ATOM 1303 CG2 THR A 91 -12.407 -2.470 4.284 1.00 0.00 C ATOM 0 H THR A 91 -9.575 -3.397 3.017 1.00 0.00 H new ATOM 0 HA THR A 91 -12.001 -2.513 1.706 1.00 0.00 H new ATOM 0 HB THR A 91 -11.741 -0.616 3.457 1.00 0.00 H new ATOM 0 HG1 THR A 91 -10.350 -1.883 5.264 1.00 0.00 H new ATOM 0 HG21 THR A 91 -12.595 -2.054 5.274 1.00 0.00 H new ATOM 0 HG22 THR A 91 -13.331 -2.464 3.707 1.00 0.00 H new ATOM 0 HG23 THR A 91 -12.048 -3.494 4.383 1.00 0.00 H new ATOM 1311 N ASP A 92 -9.265 -0.581 1.671 1.00 0.00 N ATOM 1312 CA ASP A 92 -8.588 0.490 0.918 1.00 0.00 C ATOM 1313 C ASP A 92 -7.064 0.434 1.067 1.00 0.00 C ATOM 1314 O ASP A 92 -6.535 -0.146 2.029 1.00 0.00 O ATOM 1315 CB ASP A 92 -9.086 1.878 1.375 1.00 0.00 C ATOM 1316 CG ASP A 92 -10.513 2.180 0.943 1.00 0.00 C ATOM 1317 OD1 ASP A 92 -10.854 1.916 -0.232 1.00 0.00 O ATOM 1318 OD2 ASP A 92 -11.290 2.682 1.782 1.00 0.00 O ATOM 0 H ASP A 92 -8.757 -0.896 2.498 1.00 0.00 H new ATOM 0 HA ASP A 92 -8.835 0.332 -0.132 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -9.023 1.939 2.461 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -8.423 2.644 0.973 1.00 0.00 H new ATOM 1323 N ILE A 93 -6.378 1.046 0.088 1.00 0.00 N ATOM 1324 CA ILE A 93 -4.914 1.143 0.068 1.00 0.00 C ATOM 1325 C ILE A 93 -4.537 2.630 0.126 1.00 0.00 C ATOM 1326 O ILE A 93 -5.063 3.430 -0.653 1.00 0.00 O ATOM 1327 CB ILE A 93 -4.290 0.487 -1.218 1.00 0.00 C ATOM 1328 CG1 ILE A 93 -4.836 -0.946 -1.498 1.00 0.00 C ATOM 1329 CG2 ILE A 93 -2.758 0.457 -1.141 1.00 0.00 C ATOM 1330 CD1 ILE A 93 -4.871 -1.899 -0.306 1.00 0.00 C ATOM 0 H ILE A 93 -6.827 1.488 -0.714 1.00 0.00 H new ATOM 0 HA ILE A 93 -4.516 0.600 0.925 1.00 0.00 H new ATOM 0 HB ILE A 93 -4.595 1.119 -2.052 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -5.847 -0.856 -1.894 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -4.226 -1.398 -2.280 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -2.357 -0.002 -2.045 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -2.378 1.475 -1.052 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -2.449 -0.123 -0.271 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -5.269 -2.863 -0.623 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -3.861 -2.033 0.083 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -5.508 -1.482 0.474 1.00 0.00 H new ATOM 1342 N GLN A 94 -3.633 2.991 1.044 1.00 0.00 N ATOM 1343 CA GLN A 94 -3.218 4.387 1.205 1.00 0.00 C ATOM 1344 C GLN A 94 -1.736 4.584 0.866 1.00 0.00 C ATOM 1345 O GLN A 94 -0.872 3.883 1.397 1.00 0.00 O ATOM 1346 CB GLN A 94 -3.505 4.853 2.642 1.00 0.00 C ATOM 1347 CG GLN A 94 -3.686 6.364 2.794 1.00 0.00 C ATOM 1348 CD GLN A 94 -5.087 6.830 2.435 1.00 0.00 C ATOM 1349 OE1 GLN A 94 -6.057 6.505 3.120 1.00 0.00 O ATOM 1350 NE2 GLN A 94 -5.198 7.596 1.355 1.00 0.00 N ATOM 0 H GLN A 94 -3.178 2.339 1.683 1.00 0.00 H new ATOM 0 HA GLN A 94 -3.794 4.992 0.505 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -4.406 4.354 2.999 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -2.686 4.531 3.285 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -3.466 6.650 3.823 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -2.964 6.877 2.159 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -4.367 7.841 0.816 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -6.114 7.939 1.065 1.00 0.00 H new ATOM 1359 N ILE A 95 -1.470 5.554 -0.016 1.00 0.00 N ATOM 1360 CA ILE A 95 -0.107 5.899 -0.437 1.00 0.00 C ATOM 1361 C ILE A 95 0.135 7.406 -0.185 1.00 0.00 C ATOM 1362 O ILE A 95 -0.320 8.236 -0.980 1.00 0.00 O ATOM 1363 CB ILE A 95 0.145 5.534 -1.945 1.00 0.00 C ATOM 1364 CG1 ILE A 95 0.109 4.014 -2.148 1.00 0.00 C ATOM 1365 CG2 ILE A 95 1.483 6.079 -2.459 1.00 0.00 C ATOM 1366 CD1 ILE A 95 -1.251 3.484 -2.542 1.00 0.00 C ATOM 0 H ILE A 95 -2.193 6.122 -0.458 1.00 0.00 H new ATOM 0 HA ILE A 95 0.600 5.314 0.151 1.00 0.00 H new ATOM 0 HB ILE A 95 -0.656 6.003 -2.517 1.00 0.00 H new ATOM 0 HG12 ILE A 95 0.832 3.742 -2.917 1.00 0.00 H new ATOM 0 HG13 ILE A 95 0.426 3.526 -1.226 1.00 0.00 H new ATOM 0 HG21 ILE A 95 1.611 5.801 -3.505 1.00 0.00 H new ATOM 0 HG22 ILE A 95 1.492 7.165 -2.368 1.00 0.00 H new ATOM 0 HG23 ILE A 95 2.298 5.659 -1.869 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -1.198 2.403 -2.668 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -1.975 3.724 -1.763 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -1.563 3.943 -3.480 1.00 0.00 H new ATOM 1378 N PRO A 96 0.843 7.796 0.928 1.00 0.00 N ATOM 1379 CA PRO A 96 1.102 9.219 1.234 1.00 0.00 C ATOM 1380 C PRO A 96 2.023 9.893 0.207 1.00 0.00 C ATOM 1381 O PRO A 96 3.168 9.470 0.008 1.00 0.00 O ATOM 1382 CB PRO A 96 1.753 9.188 2.626 1.00 0.00 C ATOM 1383 CG PRO A 96 2.311 7.813 2.776 1.00 0.00 C ATOM 1384 CD PRO A 96 1.432 6.902 1.961 1.00 0.00 C ATOM 0 HA PRO A 96 0.185 9.807 1.202 1.00 0.00 H new ATOM 0 HB2 PRO A 96 2.537 9.941 2.709 1.00 0.00 H new ATOM 0 HB3 PRO A 96 1.022 9.402 3.406 1.00 0.00 H new ATOM 0 HG2 PRO A 96 3.342 7.773 2.425 1.00 0.00 H new ATOM 0 HG3 PRO A 96 2.319 7.510 3.823 1.00 0.00 H new ATOM 0 HD2 PRO A 96 2.006 6.094 1.508 1.00 0.00 H new ATOM 0 HD3 PRO A 96 0.660 6.439 2.575 1.00 0.00 H new ATOM 1392 N LEU A 97 1.496 10.933 -0.441 1.00 0.00 N ATOM 1393 CA LEU A 97 2.235 11.680 -1.455 1.00 0.00 C ATOM 1394 C LEU A 97 2.261 13.170 -1.113 1.00 0.00 C ATOM 1395 O LEU A 97 1.223 13.751 -0.783 1.00 0.00 O ATOM 1396 CB LEU A 97 1.590 11.462 -2.830 1.00 0.00 C ATOM 1397 CG LEU A 97 2.493 11.731 -4.038 1.00 0.00 C ATOM 1398 CD1 LEU A 97 3.110 10.436 -4.543 1.00 0.00 C ATOM 1399 CD2 LEU A 97 1.710 12.420 -5.144 1.00 0.00 C ATOM 0 H LEU A 97 0.550 11.278 -0.278 1.00 0.00 H new ATOM 0 HA LEU A 97 3.263 11.317 -1.480 1.00 0.00 H new ATOM 0 HB2 LEU A 97 1.237 10.432 -2.886 1.00 0.00 H new ATOM 0 HB3 LEU A 97 0.713 12.105 -2.905 1.00 0.00 H new ATOM 0 HG LEU A 97 3.300 12.394 -3.725 1.00 0.00 H new ATOM 0 HD11 LEU A 97 3.748 10.647 -5.401 1.00 0.00 H new ATOM 0 HD12 LEU A 97 3.706 9.984 -3.750 1.00 0.00 H new ATOM 0 HD13 LEU A 97 2.319 9.748 -4.840 1.00 0.00 H new ATOM 0 HD21 LEU A 97 2.367 12.604 -5.994 1.00 0.00 H new ATOM 0 HD22 LEU A 97 0.883 11.783 -5.455 1.00 0.00 H new ATOM 0 HD23 LEU A 97 1.319 13.369 -4.776 1.00 0.00 H new ATOM 1411 N ASP A 98 3.453 13.777 -1.194 1.00 0.00 N ATOM 1412 CA ASP A 98 3.626 15.208 -0.903 1.00 0.00 C ATOM 1413 C ASP A 98 3.279 16.053 -2.127 1.00 0.00 C ATOM 1414 O ASP A 98 3.584 15.670 -3.254 1.00 0.00 O ATOM 1415 CB ASP A 98 5.067 15.516 -0.461 1.00 0.00 C ATOM 1416 CG ASP A 98 5.473 14.790 0.814 1.00 0.00 C ATOM 1417 OD1 ASP A 98 4.688 14.802 1.788 1.00 0.00 O ATOM 1418 OD2 ASP A 98 6.580 14.210 0.837 1.00 0.00 O ATOM 0 H ASP A 98 4.314 13.298 -1.459 1.00 0.00 H new ATOM 0 HA ASP A 98 2.948 15.460 -0.087 1.00 0.00 H new ATOM 0 HB2 ASP A 98 5.752 15.240 -1.262 1.00 0.00 H new ATOM 0 HB3 ASP A 98 5.171 16.590 -0.308 1.00 0.00 H new ATOM 1423 N TYR A 99 2.622 17.194 -1.893 1.00 0.00 N ATOM 1424 CA TYR A 99 2.225 18.119 -2.971 1.00 0.00 C ATOM 1425 C TYR A 99 3.434 18.732 -3.690 1.00 0.00 C ATOM 1426 O TYR A 99 3.389 18.985 -4.897 1.00 0.00 O ATOM 1427 CB TYR A 99 1.348 19.243 -2.405 1.00 0.00 C ATOM 1428 CG TYR A 99 0.009 18.777 -1.874 1.00 0.00 C ATOM 1429 CD1 TYR A 99 -1.025 18.460 -2.742 1.00 0.00 C ATOM 1430 CD2 TYR A 99 -0.221 18.659 -0.509 1.00 0.00 C ATOM 1431 CE1 TYR A 99 -2.252 18.038 -2.269 1.00 0.00 C ATOM 1432 CE2 TYR A 99 -1.445 18.237 -0.026 1.00 0.00 C ATOM 1433 CZ TYR A 99 -2.456 17.928 -0.911 1.00 0.00 C ATOM 1434 OH TYR A 99 -3.677 17.507 -0.434 1.00 0.00 O ATOM 0 H TYR A 99 2.350 17.505 -0.960 1.00 0.00 H new ATOM 0 HA TYR A 99 1.664 17.535 -3.701 1.00 0.00 H new ATOM 0 HB2 TYR A 99 1.890 19.743 -1.603 1.00 0.00 H new ATOM 0 HB3 TYR A 99 1.179 19.985 -3.186 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -0.868 18.545 -3.807 1.00 0.00 H new ATOM 0 HD2 TYR A 99 0.570 18.901 0.186 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -3.046 17.796 -2.959 1.00 0.00 H new ATOM 0 HE2 TYR A 99 -1.609 18.150 1.038 1.00 0.00 H new ATOM 0 HH TYR A 99 -3.655 17.483 0.545 1.00 0.00 H new ATOM 1444 N GLU A 100 4.504 18.962 -2.922 1.00 0.00 N ATOM 1445 CA GLU A 100 5.745 19.569 -3.426 1.00 0.00 C ATOM 1446 C GLU A 100 6.566 18.614 -4.321 1.00 0.00 C ATOM 1447 O GLU A 100 6.986 19.002 -5.415 1.00 0.00 O ATOM 1448 CB GLU A 100 6.590 20.039 -2.227 1.00 0.00 C ATOM 1449 CG GLU A 100 7.734 20.987 -2.585 1.00 0.00 C ATOM 1450 CD GLU A 100 8.627 21.308 -1.400 1.00 0.00 C ATOM 1451 OE1 GLU A 100 9.269 20.376 -0.868 1.00 0.00 O ATOM 1452 OE2 GLU A 100 8.684 22.491 -1.005 1.00 0.00 O ATOM 0 H GLU A 100 4.536 18.732 -1.929 1.00 0.00 H new ATOM 0 HA GLU A 100 5.470 20.414 -4.057 1.00 0.00 H new ATOM 0 HB2 GLU A 100 5.935 20.536 -1.511 1.00 0.00 H new ATOM 0 HB3 GLU A 100 7.004 19.164 -1.727 1.00 0.00 H new ATOM 0 HG2 GLU A 100 8.336 20.540 -3.376 1.00 0.00 H new ATOM 0 HG3 GLU A 100 7.320 21.913 -2.984 1.00 0.00 H new ATOM 1459 N THR A 101 6.786 17.380 -3.850 1.00 0.00 N ATOM 1460 CA THR A 101 7.584 16.392 -4.594 1.00 0.00 C ATOM 1461 C THR A 101 6.733 15.455 -5.446 1.00 0.00 C ATOM 1462 O THR A 101 7.190 15.000 -6.497 1.00 0.00 O ATOM 1463 CB THR A 101 8.454 15.548 -3.634 1.00 0.00 C ATOM 1464 OG1 THR A 101 7.642 14.996 -2.590 1.00 0.00 O ATOM 1465 CG2 THR A 101 9.574 16.383 -3.023 1.00 0.00 C ATOM 0 H THR A 101 6.424 17.040 -2.959 1.00 0.00 H new ATOM 0 HA THR A 101 8.219 16.970 -5.265 1.00 0.00 H new ATOM 0 HB THR A 101 8.904 14.741 -4.213 1.00 0.00 H new ATOM 0 HG1 THR A 101 8.201 14.462 -1.988 1.00 0.00 H new ATOM 0 HG21 THR A 101 10.168 15.761 -2.353 1.00 0.00 H new ATOM 0 HG22 THR A 101 10.212 16.773 -3.816 1.00 0.00 H new ATOM 0 HG23 THR A 101 9.145 17.213 -2.462 1.00 0.00 H new ATOM 1473 N GLU A 102 5.480 15.200 -5.015 1.00 0.00 N ATOM 1474 CA GLU A 102 4.540 14.290 -5.723 1.00 0.00 C ATOM 1475 C GLU A 102 5.194 12.924 -6.041 1.00 0.00 C ATOM 1476 O GLU A 102 4.871 12.276 -7.044 1.00 0.00 O ATOM 1477 CB GLU A 102 3.998 14.948 -7.012 1.00 0.00 C ATOM 1478 CG GLU A 102 3.076 16.131 -6.760 1.00 0.00 C ATOM 1479 CD GLU A 102 2.511 16.716 -8.041 1.00 0.00 C ATOM 1480 OE1 GLU A 102 1.433 16.261 -8.476 1.00 0.00 O ATOM 1481 OE2 GLU A 102 3.148 17.630 -8.606 1.00 0.00 O ATOM 0 H GLU A 102 5.087 15.615 -4.170 1.00 0.00 H new ATOM 0 HA GLU A 102 3.701 14.106 -5.051 1.00 0.00 H new ATOM 0 HB2 GLU A 102 4.840 15.279 -7.621 1.00 0.00 H new ATOM 0 HB3 GLU A 102 3.460 14.198 -7.592 1.00 0.00 H new ATOM 0 HG2 GLU A 102 2.255 15.816 -6.116 1.00 0.00 H new ATOM 0 HG3 GLU A 102 3.624 16.905 -6.222 1.00 0.00 H new ATOM 1488 N LYS A 103 6.107 12.498 -5.154 1.00 0.00 N ATOM 1489 CA LYS A 103 6.845 11.243 -5.330 1.00 0.00 C ATOM 1490 C LYS A 103 6.502 10.235 -4.234 1.00 0.00 C ATOM 1491 O LYS A 103 6.167 10.617 -3.109 1.00 0.00 O ATOM 1492 CB LYS A 103 8.363 11.502 -5.307 1.00 0.00 C ATOM 1493 CG LYS A 103 8.846 12.563 -6.292 1.00 0.00 C ATOM 1494 CD LYS A 103 10.364 12.589 -6.387 1.00 0.00 C ATOM 1495 CE LYS A 103 10.846 13.742 -7.252 1.00 0.00 C ATOM 1496 NZ LYS A 103 12.318 13.695 -7.469 1.00 0.00 N ATOM 0 H LYS A 103 6.351 13.009 -4.305 1.00 0.00 H new ATOM 0 HA LYS A 103 6.553 10.830 -6.296 1.00 0.00 H new ATOM 0 HB2 LYS A 103 8.651 11.804 -4.300 1.00 0.00 H new ATOM 0 HB3 LYS A 103 8.880 10.566 -5.520 1.00 0.00 H new ATOM 0 HG2 LYS A 103 8.423 12.366 -7.277 1.00 0.00 H new ATOM 0 HG3 LYS A 103 8.484 13.542 -5.980 1.00 0.00 H new ATOM 0 HD2 LYS A 103 10.791 12.678 -5.388 1.00 0.00 H new ATOM 0 HD3 LYS A 103 10.720 11.647 -6.803 1.00 0.00 H new ATOM 0 HE2 LYS A 103 10.336 13.712 -8.215 1.00 0.00 H new ATOM 0 HE3 LYS A 103 10.579 14.687 -6.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 12.607 14.498 -8.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 12.806 13.750 -6.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 12.571 12.805 -7.943 1.00 0.00 H new ATOM 1510 N HIS A 104 6.592 8.946 -4.581 1.00 0.00 N ATOM 1511 CA HIS A 104 6.328 7.854 -3.648 1.00 0.00 C ATOM 1512 C HIS A 104 7.660 7.281 -3.158 1.00 0.00 C ATOM 1513 O HIS A 104 8.596 7.114 -3.946 1.00 0.00 O ATOM 1514 CB HIS A 104 5.454 6.781 -4.330 1.00 0.00 C ATOM 1515 CG HIS A 104 5.245 5.514 -3.543 1.00 0.00 C ATOM 1516 ND1 HIS A 104 5.504 4.267 -4.064 1.00 0.00 N ATOM 1517 CD2 HIS A 104 4.764 5.306 -2.297 1.00 0.00 C ATOM 1518 CE1 HIS A 104 5.182 3.344 -3.181 1.00 0.00 C ATOM 1519 NE2 HIS A 104 4.732 3.947 -2.095 1.00 0.00 N ATOM 0 H HIS A 104 6.850 8.635 -5.517 1.00 0.00 H new ATOM 0 HA HIS A 104 5.777 8.221 -2.782 1.00 0.00 H new ATOM 0 HB2 HIS A 104 4.479 7.217 -4.548 1.00 0.00 H new ATOM 0 HB3 HIS A 104 5.908 6.522 -5.286 1.00 0.00 H new ATOM 0 HD2 HIS A 104 4.461 6.066 -1.592 1.00 0.00 H new ATOM 0 HE1 HIS A 104 5.271 2.277 -3.321 1.00 0.00 H new ATOM 0 HE2 HIS A 104 4.413 3.480 -1.246 1.00 0.00 H new ATOM 1528 N ARG A 105 7.729 6.987 -1.858 1.00 0.00 N ATOM 1529 CA ARG A 105 8.954 6.469 -1.240 1.00 0.00 C ATOM 1530 C ARG A 105 9.018 4.932 -1.200 1.00 0.00 C ATOM 1531 O ARG A 105 9.994 4.373 -0.683 1.00 0.00 O ATOM 1532 CB ARG A 105 9.114 7.049 0.171 1.00 0.00 C ATOM 1533 CG ARG A 105 9.390 8.547 0.194 1.00 0.00 C ATOM 1534 CD ARG A 105 9.621 9.054 1.609 1.00 0.00 C ATOM 1535 NE ARG A 105 9.734 10.517 1.656 1.00 0.00 N ATOM 1536 CZ ARG A 105 9.863 11.238 2.779 1.00 0.00 C ATOM 1537 NH1 ARG A 105 9.888 10.652 3.974 1.00 0.00 N ATOM 1538 NH2 ARG A 105 9.965 12.558 2.701 1.00 0.00 N ATOM 0 H ARG A 105 6.949 7.099 -1.210 1.00 0.00 H new ATOM 0 HA ARG A 105 9.783 6.791 -1.871 1.00 0.00 H new ATOM 0 HB2 ARG A 105 8.207 6.848 0.741 1.00 0.00 H new ATOM 0 HB3 ARG A 105 9.930 6.531 0.676 1.00 0.00 H new ATOM 0 HG2 ARG A 105 10.265 8.765 -0.418 1.00 0.00 H new ATOM 0 HG3 ARG A 105 8.549 9.079 -0.251 1.00 0.00 H new ATOM 0 HD2 ARG A 105 8.799 8.733 2.248 1.00 0.00 H new ATOM 0 HD3 ARG A 105 10.530 8.607 2.011 1.00 0.00 H new ATOM 0 HE ARG A 105 9.713 11.022 0.770 1.00 0.00 H new ATOM 0 HH11 ARG A 105 9.808 9.638 4.046 1.00 0.00 H new ATOM 0 HH12 ARG A 105 9.987 11.217 4.817 1.00 0.00 H new ATOM 0 HH21 ARG A 105 9.945 13.018 1.791 1.00 0.00 H new ATOM 0 HH22 ARG A 105 10.063 13.113 3.551 1.00 0.00 H new ATOM 1552 N GLY A 106 8.001 4.244 -1.749 1.00 0.00 N ATOM 1553 CA GLY A 106 8.018 2.783 -1.759 1.00 0.00 C ATOM 1554 C GLY A 106 7.378 2.119 -0.546 1.00 0.00 C ATOM 1555 O GLY A 106 7.721 0.976 -0.235 1.00 0.00 O ATOM 0 H GLY A 106 7.180 4.669 -2.180 1.00 0.00 H new ATOM 0 HA2 GLY A 106 7.505 2.436 -2.656 1.00 0.00 H new ATOM 0 HA3 GLY A 106 9.053 2.448 -1.833 1.00 0.00 H new ATOM 1559 N PHE A 107 6.479 2.825 0.162 1.00 0.00 N ATOM 1560 CA PHE A 107 5.781 2.239 1.319 1.00 0.00 C ATOM 1561 C PHE A 107 4.327 2.715 1.392 1.00 0.00 C ATOM 1562 O PHE A 107 4.002 3.818 0.944 1.00 0.00 O ATOM 1563 CB PHE A 107 6.524 2.501 2.651 1.00 0.00 C ATOM 1564 CG PHE A 107 6.675 3.948 3.055 1.00 0.00 C ATOM 1565 CD1 PHE A 107 5.669 4.592 3.761 1.00 0.00 C ATOM 1566 CD2 PHE A 107 7.830 4.650 2.755 1.00 0.00 C ATOM 1567 CE1 PHE A 107 5.812 5.909 4.154 1.00 0.00 C ATOM 1568 CE2 PHE A 107 7.977 5.968 3.145 1.00 0.00 C ATOM 1569 CZ PHE A 107 6.967 6.598 3.845 1.00 0.00 C ATOM 0 H PHE A 107 6.221 3.790 -0.043 1.00 0.00 H new ATOM 0 HA PHE A 107 5.775 1.160 1.168 1.00 0.00 H new ATOM 0 HB2 PHE A 107 5.996 1.976 3.447 1.00 0.00 H new ATOM 0 HB3 PHE A 107 7.518 2.059 2.582 1.00 0.00 H new ATOM 0 HD1 PHE A 107 4.763 4.057 4.006 1.00 0.00 H new ATOM 0 HD2 PHE A 107 8.625 4.162 2.210 1.00 0.00 H new ATOM 0 HE1 PHE A 107 5.021 6.399 4.702 1.00 0.00 H new ATOM 0 HE2 PHE A 107 8.882 6.505 2.902 1.00 0.00 H new ATOM 0 HZ PHE A 107 7.081 7.628 4.150 1.00 0.00 H new ATOM 1579 N ALA A 108 3.463 1.860 1.965 1.00 0.00 N ATOM 1580 CA ALA A 108 2.026 2.146 2.108 1.00 0.00 C ATOM 1581 C ALA A 108 1.399 1.294 3.218 1.00 0.00 C ATOM 1582 O ALA A 108 2.026 0.352 3.711 1.00 0.00 O ATOM 1583 CB ALA A 108 1.304 1.885 0.784 1.00 0.00 C ATOM 0 H ALA A 108 3.741 0.953 2.341 1.00 0.00 H new ATOM 0 HA ALA A 108 1.917 3.196 2.380 1.00 0.00 H new ATOM 0 HB1 ALA A 108 0.242 2.100 0.900 1.00 0.00 H new ATOM 0 HB2 ALA A 108 1.721 2.528 0.009 1.00 0.00 H new ATOM 0 HB3 ALA A 108 1.434 0.841 0.498 1.00 0.00 H new ATOM 1589 N PHE A 109 0.173 1.652 3.625 1.00 0.00 N ATOM 1590 CA PHE A 109 -0.562 0.897 4.645 1.00 0.00 C ATOM 1591 C PHE A 109 -1.755 0.209 3.988 1.00 0.00 C ATOM 1592 O PHE A 109 -2.420 0.802 3.133 1.00 0.00 O ATOM 1593 CB PHE A 109 -1.060 1.802 5.786 1.00 0.00 C ATOM 1594 CG PHE A 109 0.021 2.569 6.501 1.00 0.00 C ATOM 1595 CD1 PHE A 109 0.489 3.774 5.996 1.00 0.00 C ATOM 1596 CD2 PHE A 109 0.556 2.092 7.686 1.00 0.00 C ATOM 1597 CE1 PHE A 109 1.471 4.485 6.660 1.00 0.00 C ATOM 1598 CE2 PHE A 109 1.539 2.798 8.353 1.00 0.00 C ATOM 1599 CZ PHE A 109 1.997 3.996 7.839 1.00 0.00 C ATOM 0 H PHE A 109 -0.330 2.462 3.262 1.00 0.00 H new ATOM 0 HA PHE A 109 0.118 0.163 5.078 1.00 0.00 H new ATOM 0 HB2 PHE A 109 -1.781 2.511 5.380 1.00 0.00 H new ATOM 0 HB3 PHE A 109 -1.591 1.188 6.513 1.00 0.00 H new ATOM 0 HD1 PHE A 109 0.081 4.161 5.074 1.00 0.00 H new ATOM 0 HD2 PHE A 109 0.201 1.157 8.094 1.00 0.00 H new ATOM 0 HE1 PHE A 109 1.826 5.422 6.257 1.00 0.00 H new ATOM 0 HE2 PHE A 109 1.949 2.414 9.275 1.00 0.00 H new ATOM 0 HZ PHE A 109 2.765 4.549 8.359 1.00 0.00 H new ATOM 1609 N VAL A 110 -2.020 -1.035 4.389 1.00 0.00 N ATOM 1610 CA VAL A 110 -3.132 -1.805 3.832 1.00 0.00 C ATOM 1611 C VAL A 110 -4.135 -2.170 4.937 1.00 0.00 C ATOM 1612 O VAL A 110 -3.743 -2.645 6.007 1.00 0.00 O ATOM 1613 CB VAL A 110 -2.615 -3.071 3.055 1.00 0.00 C ATOM 1614 CG1 VAL A 110 -1.814 -4.027 3.943 1.00 0.00 C ATOM 1615 CG2 VAL A 110 -3.759 -3.813 2.365 1.00 0.00 C ATOM 0 H VAL A 110 -1.479 -1.531 5.098 1.00 0.00 H new ATOM 0 HA VAL A 110 -3.656 -1.185 3.104 1.00 0.00 H new ATOM 0 HB VAL A 110 -1.934 -2.696 2.290 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -1.484 -4.881 3.352 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -0.945 -3.507 4.346 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -2.442 -4.374 4.763 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -3.364 -4.682 1.838 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -4.483 -4.139 3.111 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -4.247 -3.148 1.653 1.00 0.00 H new ATOM 1625 N GLU A 111 -5.425 -1.939 4.658 1.00 0.00 N ATOM 1626 CA GLU A 111 -6.489 -2.222 5.624 1.00 0.00 C ATOM 1627 C GLU A 111 -7.286 -3.468 5.254 1.00 0.00 C ATOM 1628 O GLU A 111 -7.700 -3.635 4.106 1.00 0.00 O ATOM 1629 CB GLU A 111 -7.438 -1.025 5.727 1.00 0.00 C ATOM 1630 CG GLU A 111 -7.386 -0.301 7.065 1.00 0.00 C ATOM 1631 CD GLU A 111 -8.200 -0.993 8.145 1.00 0.00 C ATOM 1632 OE1 GLU A 111 -9.399 -0.673 8.283 1.00 0.00 O ATOM 1633 OE2 GLU A 111 -7.636 -1.854 8.853 1.00 0.00 O ATOM 0 H GLU A 111 -5.754 -1.557 3.771 1.00 0.00 H new ATOM 0 HA GLU A 111 -6.010 -2.404 6.586 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -7.199 -0.317 4.934 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -8.458 -1.368 5.551 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -6.349 -0.226 7.391 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -7.754 0.717 6.936 1.00 0.00 H new ATOM 1640 N PHE A 112 -7.499 -4.329 6.252 1.00 0.00 N ATOM 1641 CA PHE A 112 -8.269 -5.560 6.079 1.00 0.00 C ATOM 1642 C PHE A 112 -9.540 -5.512 6.920 1.00 0.00 C ATOM 1643 O PHE A 112 -9.519 -5.034 8.058 1.00 0.00 O ATOM 1644 CB PHE A 112 -7.434 -6.783 6.464 1.00 0.00 C ATOM 1645 CG PHE A 112 -6.583 -7.322 5.346 1.00 0.00 C ATOM 1646 CD1 PHE A 112 -5.290 -6.864 5.149 1.00 0.00 C ATOM 1647 CD2 PHE A 112 -7.082 -8.295 4.495 1.00 0.00 C ATOM 1648 CE1 PHE A 112 -4.511 -7.369 4.124 1.00 0.00 C ATOM 1649 CE2 PHE A 112 -6.310 -8.801 3.469 1.00 0.00 C ATOM 1650 CZ PHE A 112 -5.023 -8.339 3.285 1.00 0.00 C ATOM 0 H PHE A 112 -7.144 -4.192 7.198 1.00 0.00 H new ATOM 0 HA PHE A 112 -8.542 -5.645 5.027 1.00 0.00 H new ATOM 0 HB2 PHE A 112 -6.789 -6.520 7.303 1.00 0.00 H new ATOM 0 HB3 PHE A 112 -8.102 -7.571 6.810 1.00 0.00 H new ATOM 0 HD1 PHE A 112 -4.887 -6.105 5.803 1.00 0.00 H new ATOM 0 HD2 PHE A 112 -8.088 -8.662 4.636 1.00 0.00 H new ATOM 0 HE1 PHE A 112 -3.504 -7.005 3.980 1.00 0.00 H new ATOM 0 HE2 PHE A 112 -6.713 -9.557 2.811 1.00 0.00 H new ATOM 0 HZ PHE A 112 -4.416 -8.736 2.485 1.00 0.00 H new ATOM 1660 N GLU A 113 -10.647 -6.014 6.350 1.00 0.00 N ATOM 1661 CA GLU A 113 -11.951 -6.039 7.034 1.00 0.00 C ATOM 1662 C GLU A 113 -11.920 -6.965 8.267 1.00 0.00 C ATOM 1663 O GLU A 113 -12.539 -6.662 9.292 1.00 0.00 O ATOM 1664 CB GLU A 113 -13.046 -6.482 6.045 1.00 0.00 C ATOM 1665 CG GLU A 113 -14.471 -6.225 6.519 1.00 0.00 C ATOM 1666 CD GLU A 113 -15.514 -6.778 5.568 1.00 0.00 C ATOM 1667 OE1 GLU A 113 -15.645 -6.238 4.449 1.00 0.00 O ATOM 1668 OE2 GLU A 113 -16.200 -7.753 5.941 1.00 0.00 O ATOM 0 H GLU A 113 -10.665 -6.411 5.411 1.00 0.00 H new ATOM 0 HA GLU A 113 -12.176 -5.033 7.389 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -12.893 -5.964 5.098 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -12.929 -7.548 5.848 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -14.608 -6.674 7.503 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -14.623 -5.152 6.634 1.00 0.00 H new ATOM 1675 N LEU A 114 -11.195 -8.083 8.146 1.00 0.00 N ATOM 1676 CA LEU A 114 -11.057 -9.051 9.236 1.00 0.00 C ATOM 1677 C LEU A 114 -9.677 -8.972 9.862 1.00 0.00 C ATOM 1678 O LEU A 114 -8.680 -8.776 9.165 1.00 0.00 O ATOM 1679 CB LEU A 114 -11.287 -10.484 8.729 1.00 0.00 C ATOM 1680 CG LEU A 114 -12.741 -10.870 8.435 1.00 0.00 C ATOM 1681 CD1 LEU A 114 -13.177 -10.361 7.068 1.00 0.00 C ATOM 1682 CD2 LEU A 114 -12.903 -12.382 8.515 1.00 0.00 C ATOM 0 H LEU A 114 -10.692 -8.339 7.297 1.00 0.00 H new ATOM 0 HA LEU A 114 -11.810 -8.803 9.984 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -10.704 -10.623 7.819 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -10.891 -11.178 9.470 1.00 0.00 H new ATOM 0 HG LEU A 114 -13.379 -10.403 9.185 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -14.212 -10.649 6.886 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -13.092 -9.275 7.040 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -12.539 -10.794 6.298 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -13.939 -12.649 8.305 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -12.250 -12.857 7.783 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -12.636 -12.724 9.515 1.00 0.00 H new ATOM 1694 N ALA A 115 -9.630 -9.108 11.188 1.00 0.00 N ATOM 1695 CA ALA A 115 -8.365 -9.110 11.930 1.00 0.00 C ATOM 1696 C ALA A 115 -7.649 -10.453 11.740 1.00 0.00 C ATOM 1697 O ALA A 115 -6.440 -10.570 11.953 1.00 0.00 O ATOM 1698 CB ALA A 115 -8.613 -8.842 13.406 1.00 0.00 C ATOM 0 H ALA A 115 -10.457 -9.219 11.774 1.00 0.00 H new ATOM 0 HA ALA A 115 -7.728 -8.315 11.542 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -7.663 -8.847 13.941 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -9.091 -7.869 13.524 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -9.263 -9.617 13.812 1.00 0.00 H new ATOM 1704 N GLU A 116 -8.442 -11.458 11.330 1.00 0.00 N ATOM 1705 CA GLU A 116 -7.974 -12.822 11.074 1.00 0.00 C ATOM 1706 C GLU A 116 -7.169 -12.900 9.760 1.00 0.00 C ATOM 1707 O GLU A 116 -6.056 -13.436 9.740 1.00 0.00 O ATOM 1708 CB GLU A 116 -9.204 -13.753 11.027 1.00 0.00 C ATOM 1709 CG GLU A 116 -8.900 -15.242 10.909 1.00 0.00 C ATOM 1710 CD GLU A 116 -8.515 -15.879 12.232 1.00 0.00 C ATOM 1711 OE1 GLU A 116 -9.420 -16.358 12.947 1.00 0.00 O ATOM 1712 OE2 GLU A 116 -7.307 -15.899 12.552 1.00 0.00 O ATOM 0 H GLU A 116 -9.442 -11.338 11.166 1.00 0.00 H new ATOM 0 HA GLU A 116 -7.302 -13.135 11.873 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -9.794 -13.591 11.929 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -9.827 -13.460 10.182 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -9.774 -15.754 10.507 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -8.090 -15.386 10.194 1.00 0.00 H new ATOM 1719 N ASP A 117 -7.742 -12.349 8.673 1.00 0.00 N ATOM 1720 CA ASP A 117 -7.091 -12.346 7.353 1.00 0.00 C ATOM 1721 C ASP A 117 -5.857 -11.426 7.324 1.00 0.00 C ATOM 1722 O ASP A 117 -4.888 -11.704 6.611 1.00 0.00 O ATOM 1723 CB ASP A 117 -8.101 -12.005 6.229 1.00 0.00 C ATOM 1724 CG ASP A 117 -8.808 -10.657 6.368 1.00 0.00 C ATOM 1725 OD1 ASP A 117 -8.194 -9.701 6.879 1.00 0.00 O ATOM 1726 OD2 ASP A 117 -9.982 -10.566 5.954 1.00 0.00 O ATOM 0 H ASP A 117 -8.657 -11.899 8.686 1.00 0.00 H new ATOM 0 HA ASP A 117 -6.728 -13.356 7.164 1.00 0.00 H new ATOM 0 HB2 ASP A 117 -7.576 -12.024 5.274 1.00 0.00 H new ATOM 0 HB3 ASP A 117 -8.856 -12.790 6.192 1.00 0.00 H new ATOM 1731 N ALA A 118 -5.913 -10.333 8.107 1.00 0.00 N ATOM 1732 CA ALA A 118 -4.808 -9.368 8.211 1.00 0.00 C ATOM 1733 C ALA A 118 -3.586 -10.002 8.886 1.00 0.00 C ATOM 1734 O ALA A 118 -2.448 -9.827 8.431 1.00 0.00 O ATOM 1735 CB ALA A 118 -5.263 -8.145 8.990 1.00 0.00 C ATOM 0 H ALA A 118 -6.722 -10.097 8.682 1.00 0.00 H new ATOM 0 HA ALA A 118 -4.519 -9.066 7.205 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -4.440 -7.434 9.064 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -6.102 -7.677 8.475 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -5.573 -8.446 9.991 1.00 0.00 H new ATOM 1741 N ALA A 119 -3.845 -10.755 9.972 1.00 0.00 N ATOM 1742 CA ALA A 119 -2.796 -11.463 10.714 1.00 0.00 C ATOM 1743 C ALA A 119 -2.178 -12.553 9.837 1.00 0.00 C ATOM 1744 O ALA A 119 -1.005 -12.907 9.994 1.00 0.00 O ATOM 1745 CB ALA A 119 -3.362 -12.063 11.992 1.00 0.00 C ATOM 0 H ALA A 119 -4.782 -10.886 10.354 1.00 0.00 H new ATOM 0 HA ALA A 119 -2.017 -10.751 10.987 1.00 0.00 H new ATOM 0 HB1 ALA A 119 -2.571 -12.585 12.531 1.00 0.00 H new ATOM 0 HB2 ALA A 119 -3.765 -11.268 12.620 1.00 0.00 H new ATOM 0 HB3 ALA A 119 -4.156 -12.767 11.743 1.00 0.00 H new ATOM 1751 N ALA A 120 -3.003 -13.070 8.909 1.00 0.00 N ATOM 1752 CA ALA A 120 -2.585 -14.103 7.954 1.00 0.00 C ATOM 1753 C ALA A 120 -1.598 -13.540 6.928 1.00 0.00 C ATOM 1754 O ALA A 120 -0.676 -14.236 6.493 1.00 0.00 O ATOM 1755 CB ALA A 120 -3.800 -14.683 7.242 1.00 0.00 C ATOM 0 H ALA A 120 -3.976 -12.782 8.803 1.00 0.00 H new ATOM 0 HA ALA A 120 -2.084 -14.894 8.512 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -3.477 -15.448 6.536 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -4.474 -15.127 7.975 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -4.320 -13.890 6.705 1.00 0.00 H new ATOM 1761 N ALA A 121 -1.806 -12.263 6.556 1.00 0.00 N ATOM 1762 CA ALA A 121 -0.952 -11.561 5.590 1.00 0.00 C ATOM 1763 C ALA A 121 0.452 -11.308 6.150 1.00 0.00 C ATOM 1764 O ALA A 121 1.444 -11.447 5.427 1.00 0.00 O ATOM 1765 CB ALA A 121 -1.603 -10.248 5.174 1.00 0.00 C ATOM 0 H ALA A 121 -2.570 -11.693 6.918 1.00 0.00 H new ATOM 0 HA ALA A 121 -0.844 -12.201 4.715 1.00 0.00 H new ATOM 0 HB1 ALA A 121 -0.962 -9.735 4.457 1.00 0.00 H new ATOM 0 HB2 ALA A 121 -2.570 -10.451 4.715 1.00 0.00 H new ATOM 0 HB3 ALA A 121 -1.743 -9.617 6.052 1.00 0.00 H new ATOM 1771 N ILE A 122 0.524 -10.938 7.443 1.00 0.00 N ATOM 1772 CA ILE A 122 1.812 -10.680 8.117 1.00 0.00 C ATOM 1773 C ILE A 122 2.616 -11.977 8.318 1.00 0.00 C ATOM 1774 O ILE A 122 3.849 -11.960 8.266 1.00 0.00 O ATOM 1775 CB ILE A 122 1.624 -9.918 9.471 1.00 0.00 C ATOM 1776 CG1 ILE A 122 1.032 -8.521 9.208 1.00 0.00 C ATOM 1777 CG2 ILE A 122 2.952 -9.781 10.233 1.00 0.00 C ATOM 1778 CD1 ILE A 122 0.125 -8.005 10.306 1.00 0.00 C ATOM 0 H ILE A 122 -0.293 -10.811 8.041 1.00 0.00 H new ATOM 0 HA ILE A 122 2.387 -10.031 7.457 1.00 0.00 H new ATOM 0 HB ILE A 122 0.939 -10.500 10.088 1.00 0.00 H new ATOM 0 HG12 ILE A 122 1.850 -7.814 9.068 1.00 0.00 H new ATOM 0 HG13 ILE A 122 0.471 -8.548 8.274 1.00 0.00 H new ATOM 0 HG21 ILE A 122 2.782 -9.247 11.168 1.00 0.00 H new ATOM 0 HG22 ILE A 122 3.351 -10.772 10.449 1.00 0.00 H new ATOM 0 HG23 ILE A 122 3.666 -9.227 9.623 1.00 0.00 H new ATOM 0 HD11 ILE A 122 -0.246 -7.016 10.037 1.00 0.00 H new ATOM 0 HD12 ILE A 122 -0.716 -8.686 10.433 1.00 0.00 H new ATOM 0 HD13 ILE A 122 0.684 -7.941 11.240 1.00 0.00 H new ATOM 1790 N ASP A 123 1.909 -13.088 8.545 1.00 0.00 N ATOM 1791 CA ASP A 123 2.544 -14.392 8.748 1.00 0.00 C ATOM 1792 C ASP A 123 2.897 -15.084 7.420 1.00 0.00 C ATOM 1793 O ASP A 123 3.699 -16.023 7.408 1.00 0.00 O ATOM 1794 CB ASP A 123 1.627 -15.295 9.578 1.00 0.00 C ATOM 1795 CG ASP A 123 2.401 -16.206 10.514 1.00 0.00 C ATOM 1796 OD1 ASP A 123 3.001 -15.691 11.481 1.00 0.00 O ATOM 1797 OD2 ASP A 123 2.406 -17.433 10.279 1.00 0.00 O ATOM 0 H ASP A 123 0.890 -13.109 8.593 1.00 0.00 H new ATOM 0 HA ASP A 123 3.478 -14.219 9.283 1.00 0.00 H new ATOM 0 HB2 ASP A 123 0.944 -14.677 10.160 1.00 0.00 H new ATOM 0 HB3 ASP A 123 1.016 -15.901 8.909 1.00 0.00 H new ATOM 1802 N ASN A 124 2.298 -14.617 6.312 1.00 0.00 N ATOM 1803 CA ASN A 124 2.534 -15.218 4.995 1.00 0.00 C ATOM 1804 C ASN A 124 3.526 -14.437 4.126 1.00 0.00 C ATOM 1805 O ASN A 124 4.400 -15.048 3.503 1.00 0.00 O ATOM 1806 CB ASN A 124 1.210 -15.381 4.243 1.00 0.00 C ATOM 1807 CG ASN A 124 0.461 -16.643 4.635 1.00 0.00 C ATOM 1808 OD1 ASN A 124 1.030 -17.736 4.671 1.00 0.00 O ATOM 1809 ND2 ASN A 124 -0.826 -16.499 4.925 1.00 0.00 N ATOM 0 H ASN A 124 1.650 -13.829 6.305 1.00 0.00 H new ATOM 0 HA ASN A 124 2.987 -16.191 5.187 1.00 0.00 H new ATOM 0 HB2 ASN A 124 0.578 -14.514 4.437 1.00 0.00 H new ATOM 0 HB3 ASN A 124 1.406 -15.399 3.171 1.00 0.00 H new ATOM 0 HD21 ASN A 124 -1.383 -17.311 5.190 1.00 0.00 H new ATOM 0 HD22 ASN A 124 -1.258 -15.576 4.883 1.00 0.00 H new ATOM 1816 N MET A 125 3.404 -13.098 4.077 1.00 0.00 N ATOM 1817 CA MET A 125 4.290 -12.288 3.233 1.00 0.00 C ATOM 1818 C MET A 125 4.993 -11.167 4.008 1.00 0.00 C ATOM 1819 O MET A 125 5.066 -10.022 3.543 1.00 0.00 O ATOM 1820 CB MET A 125 3.503 -11.719 2.042 1.00 0.00 C ATOM 1821 CG MET A 125 3.197 -12.748 0.965 1.00 0.00 C ATOM 1822 SD MET A 125 2.322 -12.044 -0.444 1.00 0.00 S ATOM 1823 CE MET A 125 2.074 -13.504 -1.449 1.00 0.00 C ATOM 0 H MET A 125 2.712 -12.565 4.603 1.00 0.00 H new ATOM 0 HA MET A 125 5.078 -12.946 2.867 1.00 0.00 H new ATOM 0 HB2 MET A 125 2.566 -11.296 2.405 1.00 0.00 H new ATOM 0 HB3 MET A 125 4.071 -10.901 1.600 1.00 0.00 H new ATOM 0 HG2 MET A 125 4.129 -13.196 0.621 1.00 0.00 H new ATOM 0 HG3 MET A 125 2.598 -13.550 1.395 1.00 0.00 H new ATOM 0 HE1 MET A 125 1.168 -13.387 -2.044 1.00 0.00 H new ATOM 0 HE2 MET A 125 2.929 -13.639 -2.112 1.00 0.00 H new ATOM 0 HE3 MET A 125 1.974 -14.377 -0.804 1.00 0.00 H new ATOM 1833 N ASN A 126 5.530 -11.502 5.192 1.00 0.00 N ATOM 1834 CA ASN A 126 6.262 -10.532 6.025 1.00 0.00 C ATOM 1835 C ASN A 126 7.524 -10.035 5.296 1.00 0.00 C ATOM 1836 O ASN A 126 7.899 -8.867 5.415 1.00 0.00 O ATOM 1837 CB ASN A 126 6.644 -11.172 7.368 1.00 0.00 C ATOM 1838 CG ASN A 126 6.892 -10.151 8.469 1.00 0.00 C ATOM 1839 OD1 ASN A 126 7.657 -9.201 8.293 1.00 0.00 O ATOM 1840 ND2 ASN A 126 6.245 -10.347 9.612 1.00 0.00 N ATOM 0 H ASN A 126 5.471 -12.437 5.595 1.00 0.00 H new ATOM 0 HA ASN A 126 5.612 -9.677 6.212 1.00 0.00 H new ATOM 0 HB2 ASN A 126 5.848 -11.848 7.681 1.00 0.00 H new ATOM 0 HB3 ASN A 126 7.541 -11.777 7.233 1.00 0.00 H new ATOM 0 HD21 ASN A 126 6.372 -9.697 10.388 1.00 0.00 H new ATOM 0 HD22 ASN A 126 5.621 -11.147 9.714 1.00 0.00 H new ATOM 1847 N GLU A 127 8.164 -10.952 4.554 1.00 0.00 N ATOM 1848 CA GLU A 127 9.367 -10.651 3.772 1.00 0.00 C ATOM 1849 C GLU A 127 9.319 -11.409 2.442 1.00 0.00 C ATOM 1850 O GLU A 127 9.943 -12.466 2.273 1.00 0.00 O ATOM 1851 CB GLU A 127 10.641 -10.996 4.561 1.00 0.00 C ATOM 1852 CG GLU A 127 10.916 -10.036 5.705 1.00 0.00 C ATOM 1853 CD GLU A 127 12.111 -10.448 6.542 1.00 0.00 C ATOM 1854 OE1 GLU A 127 11.918 -11.197 7.523 1.00 0.00 O ATOM 1855 OE2 GLU A 127 13.239 -10.020 6.219 1.00 0.00 O ATOM 0 H GLU A 127 7.860 -11.923 4.481 1.00 0.00 H new ATOM 0 HA GLU A 127 9.394 -9.581 3.566 1.00 0.00 H new ATOM 0 HB2 GLU A 127 10.552 -12.007 4.958 1.00 0.00 H new ATOM 0 HB3 GLU A 127 11.493 -10.994 3.881 1.00 0.00 H new ATOM 0 HG2 GLU A 127 11.087 -9.038 5.303 1.00 0.00 H new ATOM 0 HG3 GLU A 127 10.034 -9.976 6.343 1.00 0.00 H new ATOM 1862 N SER A 128 8.549 -10.852 1.511 1.00 0.00 N ATOM 1863 CA SER A 128 8.363 -11.438 0.180 1.00 0.00 C ATOM 1864 C SER A 128 8.712 -10.433 -0.924 1.00 0.00 C ATOM 1865 O SER A 128 8.865 -9.239 -0.656 1.00 0.00 O ATOM 1866 CB SER A 128 6.917 -11.931 0.024 1.00 0.00 C ATOM 1867 OG SER A 128 5.989 -10.867 0.162 1.00 0.00 O ATOM 0 H SER A 128 8.035 -9.982 1.655 1.00 0.00 H new ATOM 0 HA SER A 128 9.041 -12.286 0.080 1.00 0.00 H new ATOM 0 HB2 SER A 128 6.794 -12.399 -0.953 1.00 0.00 H new ATOM 0 HB3 SER A 128 6.709 -12.696 0.772 1.00 0.00 H new ATOM 0 HG SER A 128 5.194 -11.054 -0.380 1.00 0.00 H new ATOM 1873 N GLU A 129 8.859 -10.931 -2.160 1.00 0.00 N ATOM 1874 CA GLU A 129 9.184 -10.087 -3.306 1.00 0.00 C ATOM 1875 C GLU A 129 7.907 -9.606 -4.010 1.00 0.00 C ATOM 1876 O GLU A 129 7.099 -10.414 -4.480 1.00 0.00 O ATOM 1877 CB GLU A 129 10.079 -10.866 -4.280 1.00 0.00 C ATOM 1878 CG GLU A 129 10.892 -9.987 -5.215 1.00 0.00 C ATOM 1879 CD GLU A 129 11.691 -10.787 -6.227 1.00 0.00 C ATOM 1880 OE1 GLU A 129 12.659 -11.463 -5.819 1.00 0.00 O ATOM 1881 OE2 GLU A 129 11.349 -10.736 -7.427 1.00 0.00 O ATOM 0 H GLU A 129 8.756 -11.920 -2.387 1.00 0.00 H new ATOM 0 HA GLU A 129 9.721 -9.206 -2.955 1.00 0.00 H new ATOM 0 HB2 GLU A 129 10.760 -11.495 -3.707 1.00 0.00 H new ATOM 0 HB3 GLU A 129 9.455 -11.532 -4.876 1.00 0.00 H new ATOM 0 HG2 GLU A 129 10.222 -9.308 -5.743 1.00 0.00 H new ATOM 0 HG3 GLU A 129 11.572 -9.371 -4.627 1.00 0.00 H new ATOM 1888 N LEU A 130 7.745 -8.280 -4.062 1.00 0.00 N ATOM 1889 CA LEU A 130 6.592 -7.650 -4.706 1.00 0.00 C ATOM 1890 C LEU A 130 7.069 -6.605 -5.715 1.00 0.00 C ATOM 1891 O LEU A 130 7.894 -5.748 -5.387 1.00 0.00 O ATOM 1892 CB LEU A 130 5.676 -7.010 -3.650 1.00 0.00 C ATOM 1893 CG LEU A 130 4.273 -6.602 -4.130 1.00 0.00 C ATOM 1894 CD1 LEU A 130 3.293 -7.758 -3.982 1.00 0.00 C ATOM 1895 CD2 LEU A 130 3.784 -5.385 -3.362 1.00 0.00 C ATOM 0 H LEU A 130 8.408 -7.617 -3.660 1.00 0.00 H new ATOM 0 HA LEU A 130 6.019 -8.410 -5.237 1.00 0.00 H new ATOM 0 HB2 LEU A 130 5.565 -7.710 -2.822 1.00 0.00 H new ATOM 0 HB3 LEU A 130 6.174 -6.125 -3.255 1.00 0.00 H new ATOM 0 HG LEU A 130 4.334 -6.343 -5.187 1.00 0.00 H new ATOM 0 HD11 LEU A 130 2.307 -7.446 -4.328 1.00 0.00 H new ATOM 0 HD12 LEU A 130 3.636 -8.604 -4.578 1.00 0.00 H new ATOM 0 HD13 LEU A 130 3.233 -8.053 -2.934 1.00 0.00 H new ATOM 0 HD21 LEU A 130 2.790 -5.108 -3.713 1.00 0.00 H new ATOM 0 HD22 LEU A 130 3.741 -5.619 -2.298 1.00 0.00 H new ATOM 0 HD23 LEU A 130 4.470 -4.553 -3.523 1.00 0.00 H new ATOM 1907 N PHE A 131 6.538 -6.690 -6.951 1.00 0.00 N ATOM 1908 CA PHE A 131 6.887 -5.776 -8.067 1.00 0.00 C ATOM 1909 C PHE A 131 8.399 -5.814 -8.408 1.00 0.00 C ATOM 1910 O PHE A 131 8.927 -4.905 -9.060 1.00 0.00 O ATOM 1911 CB PHE A 131 6.416 -4.327 -7.781 1.00 0.00 C ATOM 1912 CG PHE A 131 6.004 -3.584 -9.024 1.00 0.00 C ATOM 1913 CD1 PHE A 131 6.932 -2.854 -9.751 1.00 0.00 C ATOM 1914 CD2 PHE A 131 4.693 -3.626 -9.469 1.00 0.00 C ATOM 1915 CE1 PHE A 131 6.559 -2.180 -10.897 1.00 0.00 C ATOM 1916 CE2 PHE A 131 4.314 -2.954 -10.616 1.00 0.00 C ATOM 1917 CZ PHE A 131 5.249 -2.230 -11.331 1.00 0.00 C ATOM 0 H PHE A 131 5.850 -7.398 -7.209 1.00 0.00 H new ATOM 0 HA PHE A 131 6.352 -6.137 -8.946 1.00 0.00 H new ATOM 0 HB2 PHE A 131 5.577 -4.355 -7.086 1.00 0.00 H new ATOM 0 HB3 PHE A 131 7.220 -3.781 -7.288 1.00 0.00 H new ATOM 0 HD1 PHE A 131 7.958 -2.812 -9.417 1.00 0.00 H new ATOM 0 HD2 PHE A 131 3.959 -4.190 -8.913 1.00 0.00 H new ATOM 0 HE1 PHE A 131 7.291 -1.614 -11.454 1.00 0.00 H new ATOM 0 HE2 PHE A 131 3.289 -2.995 -10.953 1.00 0.00 H new ATOM 0 HZ PHE A 131 4.956 -1.704 -12.228 1.00 0.00 H new ATOM 1927 N GLY A 132 9.077 -6.886 -7.969 1.00 0.00 N ATOM 1928 CA GLY A 132 10.506 -7.050 -8.231 1.00 0.00 C ATOM 1929 C GLY A 132 11.389 -6.609 -7.071 1.00 0.00 C ATOM 1930 O GLY A 132 12.599 -6.853 -7.088 1.00 0.00 O ATOM 0 H GLY A 132 8.657 -7.646 -7.434 1.00 0.00 H new ATOM 0 HA2 GLY A 132 10.709 -8.097 -8.454 1.00 0.00 H new ATOM 0 HA3 GLY A 132 10.773 -6.477 -9.119 1.00 0.00 H new ATOM 1934 N ARG A 133 10.784 -5.959 -6.072 1.00 0.00 N ATOM 1935 CA ARG A 133 11.502 -5.478 -4.897 1.00 0.00 C ATOM 1936 C ARG A 133 11.021 -6.214 -3.642 1.00 0.00 C ATOM 1937 O ARG A 133 9.874 -6.665 -3.584 1.00 0.00 O ATOM 1938 CB ARG A 133 11.270 -3.968 -4.768 1.00 0.00 C ATOM 1939 CG ARG A 133 12.252 -3.241 -3.865 1.00 0.00 C ATOM 1940 CD ARG A 133 11.987 -1.749 -3.889 1.00 0.00 C ATOM 1941 NE ARG A 133 12.681 -1.044 -2.806 1.00 0.00 N ATOM 1942 CZ ARG A 133 13.752 -0.253 -2.969 1.00 0.00 C ATOM 1943 NH1 ARG A 133 14.282 -0.050 -4.175 1.00 0.00 N ATOM 1944 NH2 ARG A 133 14.297 0.337 -1.915 1.00 0.00 N ATOM 0 H ARG A 133 9.785 -5.754 -6.059 1.00 0.00 H new ATOM 0 HA ARG A 133 12.569 -5.673 -5.006 1.00 0.00 H new ATOM 0 HB2 ARG A 133 11.316 -3.523 -5.762 1.00 0.00 H new ATOM 0 HB3 ARG A 133 10.261 -3.802 -4.390 1.00 0.00 H new ATOM 0 HG2 ARG A 133 12.164 -3.616 -2.845 1.00 0.00 H new ATOM 0 HG3 ARG A 133 13.273 -3.441 -4.191 1.00 0.00 H new ATOM 0 HD2 ARG A 133 12.306 -1.341 -4.848 1.00 0.00 H new ATOM 0 HD3 ARG A 133 10.915 -1.571 -3.807 1.00 0.00 H new ATOM 0 HE ARG A 133 12.323 -1.164 -1.859 1.00 0.00 H new ATOM 0 HH11 ARG A 133 13.873 -0.500 -4.994 1.00 0.00 H new ATOM 0 HH12 ARG A 133 15.097 0.555 -4.279 1.00 0.00 H new ATOM 0 HH21 ARG A 133 13.902 0.188 -0.986 1.00 0.00 H new ATOM 0 HH22 ARG A 133 15.112 0.940 -2.032 1.00 0.00 H new ATOM 1958 N THR A 134 11.905 -6.322 -2.636 1.00 0.00 N ATOM 1959 CA THR A 134 11.577 -7.004 -1.373 1.00 0.00 C ATOM 1960 C THR A 134 10.700 -6.108 -0.494 1.00 0.00 C ATOM 1961 O THR A 134 10.953 -4.905 -0.380 1.00 0.00 O ATOM 1962 CB THR A 134 12.854 -7.407 -0.588 1.00 0.00 C ATOM 1963 OG1 THR A 134 13.901 -7.769 -1.499 1.00 0.00 O ATOM 1964 CG2 THR A 134 12.584 -8.584 0.349 1.00 0.00 C ATOM 0 H THR A 134 12.852 -5.946 -2.673 1.00 0.00 H new ATOM 0 HA THR A 134 11.032 -7.913 -1.629 1.00 0.00 H new ATOM 0 HB THR A 134 13.158 -6.546 0.008 1.00 0.00 H new ATOM 0 HG1 THR A 134 14.702 -8.020 -0.994 1.00 0.00 H new ATOM 0 HG21 THR A 134 13.499 -8.841 0.883 1.00 0.00 H new ATOM 0 HG22 THR A 134 11.810 -8.309 1.066 1.00 0.00 H new ATOM 0 HG23 THR A 134 12.250 -9.443 -0.233 1.00 0.00 H new ATOM 1972 N ILE A 135 9.675 -6.708 0.119 1.00 0.00 N ATOM 1973 CA ILE A 135 8.744 -5.965 0.973 1.00 0.00 C ATOM 1974 C ILE A 135 8.706 -6.510 2.402 1.00 0.00 C ATOM 1975 O ILE A 135 9.041 -7.673 2.647 1.00 0.00 O ATOM 1976 CB ILE A 135 7.292 -5.933 0.390 1.00 0.00 C ATOM 1977 CG1 ILE A 135 6.725 -7.352 0.163 1.00 0.00 C ATOM 1978 CG2 ILE A 135 7.254 -5.132 -0.908 1.00 0.00 C ATOM 1979 CD1 ILE A 135 5.299 -7.529 0.644 1.00 0.00 C ATOM 0 H ILE A 135 9.469 -7.704 0.040 1.00 0.00 H new ATOM 0 HA ILE A 135 9.128 -4.945 0.999 1.00 0.00 H new ATOM 0 HB ILE A 135 6.658 -5.443 1.129 1.00 0.00 H new ATOM 0 HG12 ILE A 135 6.770 -7.585 -0.901 1.00 0.00 H new ATOM 0 HG13 ILE A 135 7.362 -8.073 0.674 1.00 0.00 H new ATOM 0 HG21 ILE A 135 6.237 -5.121 -1.299 1.00 0.00 H new ATOM 0 HG22 ILE A 135 7.580 -4.110 -0.715 1.00 0.00 H new ATOM 0 HG23 ILE A 135 7.918 -5.592 -1.639 1.00 0.00 H new ATOM 0 HD11 ILE A 135 4.974 -8.551 0.449 1.00 0.00 H new ATOM 0 HD12 ILE A 135 5.249 -7.330 1.714 1.00 0.00 H new ATOM 0 HD13 ILE A 135 4.648 -6.834 0.115 1.00 0.00 H new ATOM 1991 N ARG A 136 8.291 -5.642 3.326 1.00 0.00 N ATOM 1992 CA ARG A 136 8.160 -5.990 4.737 1.00 0.00 C ATOM 1993 C ARG A 136 6.776 -5.585 5.237 1.00 0.00 C ATOM 1994 O ARG A 136 6.337 -4.459 4.981 1.00 0.00 O ATOM 1995 CB ARG A 136 9.267 -5.333 5.577 1.00 0.00 C ATOM 1996 CG ARG A 136 9.344 -3.812 5.479 1.00 0.00 C ATOM 1997 CD ARG A 136 10.692 -3.327 5.953 1.00 0.00 C ATOM 1998 NE ARG A 136 10.845 -1.874 5.810 1.00 0.00 N ATOM 1999 CZ ARG A 136 11.075 -1.025 6.824 1.00 0.00 C ATOM 2000 NH1 ARG A 136 11.190 -1.460 8.077 1.00 0.00 N ATOM 2001 NH2 ARG A 136 11.192 0.272 6.575 1.00 0.00 N ATOM 0 H ARG A 136 8.037 -4.677 3.114 1.00 0.00 H new ATOM 0 HA ARG A 136 8.272 -7.069 4.845 1.00 0.00 H new ATOM 0 HB2 ARG A 136 9.118 -5.606 6.622 1.00 0.00 H new ATOM 0 HB3 ARG A 136 10.227 -5.749 5.272 1.00 0.00 H new ATOM 0 HG2 ARG A 136 9.178 -3.498 4.449 1.00 0.00 H new ATOM 0 HG3 ARG A 136 8.555 -3.361 6.081 1.00 0.00 H new ATOM 0 HD2 ARG A 136 10.827 -3.603 6.999 1.00 0.00 H new ATOM 0 HD3 ARG A 136 11.476 -3.830 5.387 1.00 0.00 H new ATOM 0 HE ARG A 136 10.771 -1.481 4.872 1.00 0.00 H new ATOM 0 HH11 ARG A 136 11.103 -2.456 8.281 1.00 0.00 H new ATOM 0 HH12 ARG A 136 11.365 -0.798 8.833 1.00 0.00 H new ATOM 0 HH21 ARG A 136 11.107 0.617 5.619 1.00 0.00 H new ATOM 0 HH22 ARG A 136 11.367 0.924 7.339 1.00 0.00 H new ATOM 2015 N VAL A 137 6.092 -6.490 5.942 1.00 0.00 N ATOM 2016 CA VAL A 137 4.754 -6.185 6.448 1.00 0.00 C ATOM 2017 C VAL A 137 4.666 -6.420 7.961 1.00 0.00 C ATOM 2018 O VAL A 137 5.175 -7.416 8.482 1.00 0.00 O ATOM 2019 CB VAL A 137 3.609 -6.946 5.675 1.00 0.00 C ATOM 2020 CG1 VAL A 137 3.993 -7.269 4.234 1.00 0.00 C ATOM 2021 CG2 VAL A 137 3.166 -8.215 6.375 1.00 0.00 C ATOM 0 H VAL A 137 6.435 -7.423 6.172 1.00 0.00 H new ATOM 0 HA VAL A 137 4.589 -5.124 6.259 1.00 0.00 H new ATOM 0 HB VAL A 137 2.769 -6.251 5.666 1.00 0.00 H new ATOM 0 HG11 VAL A 137 3.170 -7.793 3.747 1.00 0.00 H new ATOM 0 HG12 VAL A 137 4.203 -6.344 3.697 1.00 0.00 H new ATOM 0 HG13 VAL A 137 4.881 -7.902 4.227 1.00 0.00 H new ATOM 0 HG21 VAL A 137 2.377 -8.694 5.795 1.00 0.00 H new ATOM 0 HG22 VAL A 137 4.013 -8.895 6.466 1.00 0.00 H new ATOM 0 HG23 VAL A 137 2.789 -7.970 7.368 1.00 0.00 H new ATOM 2031 N ASN A 138 4.022 -5.468 8.647 1.00 0.00 N ATOM 2032 CA ASN A 138 3.830 -5.509 10.104 1.00 0.00 C ATOM 2033 C ASN A 138 2.510 -4.826 10.478 1.00 0.00 C ATOM 2034 O ASN A 138 1.865 -4.212 9.625 1.00 0.00 O ATOM 2035 CB ASN A 138 5.001 -4.821 10.832 1.00 0.00 C ATOM 2036 CG ASN A 138 6.302 -5.600 10.734 1.00 0.00 C ATOM 2037 OD1 ASN A 138 7.238 -5.183 10.052 1.00 0.00 O ATOM 2038 ND2 ASN A 138 6.368 -6.736 11.423 1.00 0.00 N ATOM 0 H ASN A 138 3.617 -4.643 8.206 1.00 0.00 H new ATOM 0 HA ASN A 138 3.797 -6.553 10.416 1.00 0.00 H new ATOM 0 HB2 ASN A 138 5.148 -3.826 10.413 1.00 0.00 H new ATOM 0 HB3 ASN A 138 4.741 -4.689 11.882 1.00 0.00 H new ATOM 0 HD21 ASN A 138 7.219 -7.299 11.399 1.00 0.00 H new ATOM 0 HD22 ASN A 138 5.568 -7.045 11.976 1.00 0.00 H new ATOM 2045 N LEU A 139 2.105 -4.943 11.752 1.00 0.00 N ATOM 2046 CA LEU A 139 0.862 -4.321 12.238 1.00 0.00 C ATOM 2047 C LEU A 139 1.026 -2.803 12.394 1.00 0.00 C ATOM 2048 O LEU A 139 1.999 -2.336 12.994 1.00 0.00 O ATOM 2049 CB LEU A 139 0.447 -4.933 13.581 1.00 0.00 C ATOM 2050 CG LEU A 139 0.088 -6.424 13.549 1.00 0.00 C ATOM 2051 CD1 LEU A 139 0.360 -7.055 14.900 1.00 0.00 C ATOM 2052 CD2 LEU A 139 -1.371 -6.626 13.156 1.00 0.00 C ATOM 0 H LEU A 139 2.619 -5.462 12.464 1.00 0.00 H new ATOM 0 HA LEU A 139 0.085 -4.512 11.498 1.00 0.00 H new ATOM 0 HB2 LEU A 139 1.261 -4.789 14.292 1.00 0.00 H new ATOM 0 HB3 LEU A 139 -0.411 -4.379 13.962 1.00 0.00 H new ATOM 0 HG LEU A 139 0.712 -6.909 12.798 1.00 0.00 H new ATOM 0 HD11 LEU A 139 0.102 -8.113 14.866 1.00 0.00 H new ATOM 0 HD12 LEU A 139 1.416 -6.947 15.146 1.00 0.00 H new ATOM 0 HD13 LEU A 139 -0.242 -6.559 15.661 1.00 0.00 H new ATOM 0 HD21 LEU A 139 -1.600 -7.692 13.141 1.00 0.00 H new ATOM 0 HD22 LEU A 139 -2.015 -6.127 13.880 1.00 0.00 H new ATOM 0 HD23 LEU A 139 -1.543 -6.204 12.166 1.00 0.00 H new ATOM 2064 N ALA A 140 0.064 -2.053 11.845 1.00 0.00 N ATOM 2065 CA ALA A 140 0.079 -0.591 11.900 1.00 0.00 C ATOM 2066 C ALA A 140 -0.991 -0.065 12.851 1.00 0.00 C ATOM 2067 CB ALA A 140 -0.118 -0.007 10.505 1.00 0.00 C ATOM 0 H ALA A 140 -0.741 -2.441 11.354 1.00 0.00 H new ATOM 0 HA ALA A 140 1.051 -0.277 12.280 1.00 0.00 H new ATOM 0 HB1 ALA A 140 -0.105 1.081 10.561 1.00 0.00 H new ATOM 0 HB2 ALA A 140 0.686 -0.347 9.852 1.00 0.00 H new ATOM 0 HB3 ALA A 140 -1.076 -0.338 10.104 1.00 0.00 H new