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 -43:sc= 0.905 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 HIS : no HD1:sc= -1.52 X(o=-1.5,f=-1.3) USER MOD Single : A 91 THR OG1 : rot -139:sc= -0.914 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 USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 HIS : no HD1:sc= -0.14 K(o=-0.14,f=-1.4) USER MOD Single : A 124 ASN : amide:sc= 0.149 X(o=0.15,f=-0.089) USER MOD Single : A 125 MET CE :methyl 156:sc= 0 (180deg=-0.309) USER MOD Single : A 126 ASN : amide:sc= -0.431 K(o=-0.43,f=-2.6!) USER MOD Single : A 128 SER OG : rot 160:sc= -0.0587 USER MOD Single : A 134 THR OG1 : rot 180:sc= 0 USER MOD Single : A 138 ASN : amide:sc= -2.25! C(o=-2.2!,f=-5.2!) USER MOD ----------------------------------------------------------------- ATOM 882 N ARG A 64 -6.162 -4.648 11.900 1.00 0.00 N ATOM 883 CA ARG A 64 -6.566 -4.841 10.497 1.00 0.00 C ATOM 884 C ARG A 64 -5.679 -4.058 9.514 1.00 0.00 C ATOM 885 O ARG A 64 -5.569 -4.432 8.344 1.00 0.00 O ATOM 886 CB ARG A 64 -8.034 -4.442 10.310 1.00 0.00 C ATOM 887 CG ARG A 64 -9.020 -5.394 10.975 1.00 0.00 C ATOM 888 CD ARG A 64 -10.458 -4.957 10.750 1.00 0.00 C ATOM 889 NE ARG A 64 -11.406 -5.772 11.518 1.00 0.00 N ATOM 890 CZ ARG A 64 -12.338 -5.282 12.350 1.00 0.00 C ATOM 891 NH1 ARG A 64 -12.470 -3.971 12.543 1.00 0.00 N ATOM 892 NH2 ARG A 64 -13.144 -6.117 12.992 1.00 0.00 N ATOM 0 HA ARG A 64 -6.440 -5.900 10.272 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -8.183 -3.440 10.713 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -8.254 -4.392 9.244 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -8.879 -6.400 10.579 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -8.816 -5.441 12.045 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -10.567 -3.910 11.033 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -10.696 -5.027 9.689 1.00 0.00 H new ATOM 0 HE ARG A 64 -11.353 -6.785 11.412 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -11.856 -3.319 12.054 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -13.185 -3.619 13.180 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -13.053 -7.123 12.852 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -13.855 -5.753 13.626 1.00 0.00 H new ATOM 906 N VAL A 65 -5.055 -2.978 10.004 1.00 0.00 N ATOM 907 CA VAL A 65 -4.179 -2.133 9.179 1.00 0.00 C ATOM 908 C VAL A 65 -2.720 -2.566 9.362 1.00 0.00 C ATOM 909 O VAL A 65 -2.245 -2.697 10.494 1.00 0.00 O ATOM 910 CB VAL A 65 -4.328 -0.622 9.534 1.00 0.00 C ATOM 911 CG1 VAL A 65 -3.719 0.269 8.451 1.00 0.00 C ATOM 912 CG2 VAL A 65 -5.792 -0.246 9.753 1.00 0.00 C ATOM 0 H VAL A 65 -5.141 -2.668 10.972 1.00 0.00 H new ATOM 0 HA VAL A 65 -4.477 -2.261 8.139 1.00 0.00 H new ATOM 0 HB VAL A 65 -3.783 -0.458 10.464 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -3.840 1.316 8.730 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -2.658 0.042 8.347 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -4.224 0.086 7.503 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -5.863 0.814 9.999 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -6.359 -0.446 8.844 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -6.201 -0.837 10.573 1.00 0.00 H new ATOM 922 N LEU A 66 -2.027 -2.788 8.240 1.00 0.00 N ATOM 923 CA LEU A 66 -0.626 -3.231 8.259 1.00 0.00 C ATOM 924 C LEU A 66 0.257 -2.272 7.465 1.00 0.00 C ATOM 925 O LEU A 66 -0.220 -1.587 6.555 1.00 0.00 O ATOM 926 CB LEU A 66 -0.478 -4.670 7.709 1.00 0.00 C ATOM 927 CG LEU A 66 -1.762 -5.515 7.612 1.00 0.00 C ATOM 928 CD1 LEU A 66 -1.556 -6.669 6.647 1.00 0.00 C ATOM 929 CD2 LEU A 66 -2.185 -6.039 8.979 1.00 0.00 C ATOM 0 H LEU A 66 -2.414 -2.668 7.304 1.00 0.00 H new ATOM 0 HA LEU A 66 -0.299 -3.231 9.299 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -0.036 -4.609 6.714 1.00 0.00 H new ATOM 0 HB3 LEU A 66 0.232 -5.203 8.341 1.00 0.00 H new ATOM 0 HG LEU A 66 -2.560 -4.874 7.238 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -2.470 -7.260 6.586 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -1.310 -6.278 5.660 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -0.740 -7.299 7.002 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -3.094 -6.631 8.876 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -1.391 -6.662 9.392 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -2.373 -5.199 9.648 1.00 0.00 H new ATOM 941 N TYR A 67 1.546 -2.234 7.817 1.00 0.00 N ATOM 942 CA TYR A 67 2.519 -1.381 7.138 1.00 0.00 C ATOM 943 C TYR A 67 3.308 -2.201 6.117 1.00 0.00 C ATOM 944 O TYR A 67 3.947 -3.192 6.473 1.00 0.00 O ATOM 945 CB TYR A 67 3.466 -0.728 8.172 1.00 0.00 C ATOM 946 CG TYR A 67 4.574 0.135 7.578 1.00 0.00 C ATOM 947 CD1 TYR A 67 4.382 1.490 7.344 1.00 0.00 C ATOM 948 CD2 TYR A 67 5.809 -0.418 7.251 1.00 0.00 C ATOM 949 CE1 TYR A 67 5.387 2.270 6.802 1.00 0.00 C ATOM 950 CE2 TYR A 67 6.818 0.355 6.708 1.00 0.00 C ATOM 951 CZ TYR A 67 6.602 1.699 6.486 1.00 0.00 C ATOM 952 OH TYR A 67 7.604 2.472 5.946 1.00 0.00 O ATOM 0 H TYR A 67 1.940 -2.791 8.576 1.00 0.00 H new ATOM 0 HA TYR A 67 1.993 -0.587 6.608 1.00 0.00 H new ATOM 0 HB2 TYR A 67 2.872 -0.114 8.849 1.00 0.00 H new ATOM 0 HB3 TYR A 67 3.922 -1.515 8.772 1.00 0.00 H new ATOM 0 HD1 TYR A 67 3.432 1.942 7.589 1.00 0.00 H new ATOM 0 HD2 TYR A 67 5.982 -1.470 7.425 1.00 0.00 H new ATOM 0 HE1 TYR A 67 5.221 3.323 6.627 1.00 0.00 H new ATOM 0 HE2 TYR A 67 7.770 -0.091 6.459 1.00 0.00 H new ATOM 0 HH TYR A 67 7.227 3.068 5.265 1.00 0.00 H new ATOM 962 N VAL A 68 3.259 -1.772 4.856 1.00 0.00 N ATOM 963 CA VAL A 68 3.985 -2.446 3.779 1.00 0.00 C ATOM 964 C VAL A 68 5.019 -1.498 3.174 1.00 0.00 C ATOM 965 O VAL A 68 4.662 -0.461 2.607 1.00 0.00 O ATOM 966 CB VAL A 68 3.040 -3.006 2.667 1.00 0.00 C ATOM 967 CG1 VAL A 68 2.397 -4.305 3.127 1.00 0.00 C ATOM 968 CG2 VAL A 68 1.959 -2.005 2.249 1.00 0.00 C ATOM 0 H VAL A 68 2.723 -0.959 4.554 1.00 0.00 H new ATOM 0 HA VAL A 68 4.489 -3.306 4.221 1.00 0.00 H new ATOM 0 HB VAL A 68 3.660 -3.193 1.790 1.00 0.00 H new ATOM 0 HG11 VAL A 68 1.741 -4.684 2.343 1.00 0.00 H new ATOM 0 HG12 VAL A 68 3.173 -5.041 3.338 1.00 0.00 H new ATOM 0 HG13 VAL A 68 1.815 -4.123 4.030 1.00 0.00 H new ATOM 0 HG21 VAL A 68 1.333 -2.448 1.475 1.00 0.00 H new ATOM 0 HG22 VAL A 68 1.344 -1.752 3.113 1.00 0.00 H new ATOM 0 HG23 VAL A 68 2.430 -1.101 1.862 1.00 0.00 H new ATOM 978 N GLY A 69 6.297 -1.869 3.302 1.00 0.00 N ATOM 979 CA GLY A 69 7.377 -1.045 2.784 1.00 0.00 C ATOM 980 C GLY A 69 8.335 -1.816 1.907 1.00 0.00 C ATOM 981 O GLY A 69 8.519 -3.020 2.095 1.00 0.00 O ATOM 0 H GLY A 69 6.601 -2.730 3.758 1.00 0.00 H new ATOM 0 HA2 GLY A 69 6.955 -0.218 2.213 1.00 0.00 H new ATOM 0 HA3 GLY A 69 7.927 -0.609 3.618 1.00 0.00 H new ATOM 985 N GLY A 70 8.948 -1.110 0.955 1.00 0.00 N ATOM 986 CA GLY A 70 9.893 -1.729 0.036 1.00 0.00 C ATOM 987 C GLY A 70 9.268 -2.003 -1.318 1.00 0.00 C ATOM 988 O GLY A 70 9.624 -2.976 -1.988 1.00 0.00 O ATOM 0 H GLY A 70 8.805 -0.112 0.804 1.00 0.00 H new ATOM 0 HA2 GLY A 70 10.758 -1.078 -0.089 1.00 0.00 H new ATOM 0 HA3 GLY A 70 10.257 -2.663 0.464 1.00 0.00 H new ATOM 992 N LEU A 71 8.332 -1.131 -1.708 1.00 0.00 N ATOM 993 CA LEU A 71 7.621 -1.250 -2.982 1.00 0.00 C ATOM 994 C LEU A 71 8.334 -0.471 -4.087 1.00 0.00 C ATOM 995 O LEU A 71 9.204 0.365 -3.817 1.00 0.00 O ATOM 996 CB LEU A 71 6.176 -0.749 -2.854 1.00 0.00 C ATOM 997 CG LEU A 71 5.347 -1.345 -1.712 1.00 0.00 C ATOM 998 CD1 LEU A 71 5.448 -0.467 -0.484 1.00 0.00 C ATOM 999 CD2 LEU A 71 3.898 -1.501 -2.137 1.00 0.00 C ATOM 0 H LEU A 71 8.048 -0.326 -1.150 1.00 0.00 H new ATOM 0 HA LEU A 71 7.609 -2.307 -3.248 1.00 0.00 H new ATOM 0 HB2 LEU A 71 6.200 0.334 -2.730 1.00 0.00 H new ATOM 0 HB3 LEU A 71 5.660 -0.951 -3.793 1.00 0.00 H new ATOM 0 HG LEU A 71 5.742 -2.332 -1.469 1.00 0.00 H new ATOM 0 HD11 LEU A 71 4.855 -0.899 0.322 1.00 0.00 H new ATOM 0 HD12 LEU A 71 6.490 -0.397 -0.171 1.00 0.00 H new ATOM 0 HD13 LEU A 71 5.072 0.529 -0.717 1.00 0.00 H new ATOM 0 HD21 LEU A 71 3.321 -1.926 -1.315 1.00 0.00 H new ATOM 0 HD22 LEU A 71 3.489 -0.526 -2.401 1.00 0.00 H new ATOM 0 HD23 LEU A 71 3.841 -2.164 -3.000 1.00 0.00 H new ATOM 1011 N ALA A 72 7.945 -0.758 -5.330 1.00 0.00 N ATOM 1012 CA ALA A 72 8.521 -0.115 -6.515 1.00 0.00 C ATOM 1013 C ALA A 72 7.771 1.173 -6.873 1.00 0.00 C ATOM 1014 O ALA A 72 6.652 1.393 -6.417 1.00 0.00 O ATOM 1015 CB ALA A 72 8.502 -1.083 -7.689 1.00 0.00 C ATOM 0 H ALA A 72 7.221 -1.443 -5.545 1.00 0.00 H new ATOM 0 HA ALA A 72 9.552 0.155 -6.288 1.00 0.00 H new ATOM 0 HB1 ALA A 72 8.931 -0.599 -8.566 1.00 0.00 H new ATOM 0 HB2 ALA A 72 9.087 -1.968 -7.440 1.00 0.00 H new ATOM 0 HB3 ALA A 72 7.474 -1.376 -7.903 1.00 0.00 H new ATOM 1021 N GLU A 73 8.409 2.031 -7.678 1.00 0.00 N ATOM 1022 CA GLU A 73 7.810 3.307 -8.116 1.00 0.00 C ATOM 1023 C GLU A 73 6.641 3.092 -9.080 1.00 0.00 C ATOM 1024 O GLU A 73 5.694 3.883 -9.105 1.00 0.00 O ATOM 1025 CB GLU A 73 8.871 4.185 -8.774 1.00 0.00 C ATOM 1026 CG GLU A 73 9.945 4.627 -7.802 1.00 0.00 C ATOM 1027 CD GLU A 73 11.108 5.321 -8.482 1.00 0.00 C ATOM 1028 OE1 GLU A 73 11.057 6.562 -8.628 1.00 0.00 O ATOM 1029 OE2 GLU A 73 12.072 4.626 -8.867 1.00 0.00 O ATOM 0 H GLU A 73 9.347 1.867 -8.044 1.00 0.00 H new ATOM 0 HA GLU A 73 7.419 3.806 -7.229 1.00 0.00 H new ATOM 0 HB2 GLU A 73 9.333 3.637 -9.595 1.00 0.00 H new ATOM 0 HB3 GLU A 73 8.393 5.064 -9.206 1.00 0.00 H new ATOM 0 HG2 GLU A 73 9.507 5.301 -7.066 1.00 0.00 H new ATOM 0 HG3 GLU A 73 10.315 3.758 -7.258 1.00 0.00 H new ATOM 1036 N GLU A 74 6.726 2.012 -9.867 1.00 0.00 N ATOM 1037 CA GLU A 74 5.688 1.662 -10.843 1.00 0.00 C ATOM 1038 C GLU A 74 4.507 0.926 -10.190 1.00 0.00 C ATOM 1039 O GLU A 74 3.564 0.523 -10.881 1.00 0.00 O ATOM 1040 CB GLU A 74 6.289 0.805 -11.971 1.00 0.00 C ATOM 1041 CG GLU A 74 7.266 1.547 -12.889 1.00 0.00 C ATOM 1042 CD GLU A 74 6.630 2.686 -13.679 1.00 0.00 C ATOM 1043 OE1 GLU A 74 5.625 2.438 -14.382 1.00 0.00 O ATOM 1044 OE2 GLU A 74 7.139 3.823 -13.591 1.00 0.00 O ATOM 0 H GLU A 74 7.511 1.361 -9.845 1.00 0.00 H new ATOM 0 HA GLU A 74 5.303 2.593 -11.260 1.00 0.00 H new ATOM 0 HB2 GLU A 74 6.805 -0.046 -11.526 1.00 0.00 H new ATOM 0 HB3 GLU A 74 5.476 0.404 -12.577 1.00 0.00 H new ATOM 0 HG2 GLU A 74 8.082 1.947 -12.287 1.00 0.00 H new ATOM 0 HG3 GLU A 74 7.705 0.835 -13.587 1.00 0.00 H new ATOM 1051 N VAL A 75 4.553 0.766 -8.853 1.00 0.00 N ATOM 1052 CA VAL A 75 3.479 0.080 -8.121 1.00 0.00 C ATOM 1053 C VAL A 75 2.349 1.064 -7.750 1.00 0.00 C ATOM 1054 O VAL A 75 2.614 2.200 -7.345 1.00 0.00 O ATOM 1055 CB VAL A 75 4.033 -0.679 -6.865 1.00 0.00 C ATOM 1056 CG1 VAL A 75 4.217 0.225 -5.652 1.00 0.00 C ATOM 1057 CG2 VAL A 75 3.148 -1.863 -6.500 1.00 0.00 C ATOM 0 H VAL A 75 5.317 1.100 -8.265 1.00 0.00 H new ATOM 0 HA VAL A 75 3.051 -0.674 -8.781 1.00 0.00 H new ATOM 0 HB VAL A 75 5.020 -1.042 -7.150 1.00 0.00 H new ATOM 0 HG11 VAL A 75 4.603 -0.360 -4.817 1.00 0.00 H new ATOM 0 HG12 VAL A 75 4.922 1.020 -5.894 1.00 0.00 H new ATOM 0 HG13 VAL A 75 3.258 0.663 -5.376 1.00 0.00 H new ATOM 0 HG21 VAL A 75 3.559 -2.368 -5.626 1.00 0.00 H new ATOM 0 HG22 VAL A 75 2.142 -1.509 -6.275 1.00 0.00 H new ATOM 0 HG23 VAL A 75 3.109 -2.560 -7.337 1.00 0.00 H new ATOM 1067 N ASP A 76 1.103 0.606 -7.907 1.00 0.00 N ATOM 1068 CA ASP A 76 -0.079 1.425 -7.616 1.00 0.00 C ATOM 1069 C ASP A 76 -1.010 0.727 -6.614 1.00 0.00 C ATOM 1070 O ASP A 76 -0.757 -0.413 -6.212 1.00 0.00 O ATOM 1071 CB ASP A 76 -0.834 1.741 -8.920 1.00 0.00 C ATOM 1072 CG ASP A 76 -0.037 2.610 -9.885 1.00 0.00 C ATOM 1073 OD1 ASP A 76 0.659 3.542 -9.423 1.00 0.00 O ATOM 1074 OD2 ASP A 76 -0.111 2.356 -11.106 1.00 0.00 O ATOM 0 H ASP A 76 0.886 -0.335 -8.236 1.00 0.00 H new ATOM 0 HA ASP A 76 0.257 2.357 -7.162 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -1.095 0.806 -9.416 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -1.769 2.245 -8.677 1.00 0.00 H new ATOM 1079 N ASP A 77 -2.092 1.427 -6.218 1.00 0.00 N ATOM 1080 CA ASP A 77 -3.086 0.905 -5.259 1.00 0.00 C ATOM 1081 C ASP A 77 -3.778 -0.361 -5.778 1.00 0.00 C ATOM 1082 O ASP A 77 -4.155 -1.238 -4.996 1.00 0.00 O ATOM 1083 CB ASP A 77 -4.143 1.972 -4.957 1.00 0.00 C ATOM 1084 CG ASP A 77 -3.601 3.117 -4.123 1.00 0.00 C ATOM 1085 OD1 ASP A 77 -3.525 2.964 -2.887 1.00 0.00 O ATOM 1086 OD2 ASP A 77 -3.253 4.164 -4.706 1.00 0.00 O ATOM 0 H ASP A 77 -2.301 2.368 -6.553 1.00 0.00 H new ATOM 0 HA ASP A 77 -2.547 0.647 -4.348 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -4.534 2.365 -5.895 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -4.979 1.510 -4.432 1.00 0.00 H new ATOM 1091 N LYS A 78 -3.934 -0.434 -7.108 1.00 0.00 N ATOM 1092 CA LYS A 78 -4.584 -1.568 -7.786 1.00 0.00 C ATOM 1093 C LYS A 78 -3.732 -2.830 -7.658 1.00 0.00 C ATOM 1094 O LYS A 78 -4.245 -3.930 -7.435 1.00 0.00 O ATOM 1095 CB LYS A 78 -4.792 -1.233 -9.266 1.00 0.00 C ATOM 1096 CG LYS A 78 -5.689 -0.030 -9.503 1.00 0.00 C ATOM 1097 CD LYS A 78 -5.818 0.279 -10.980 1.00 0.00 C ATOM 1098 CE LYS A 78 -6.578 1.575 -11.203 1.00 0.00 C ATOM 1099 NZ LYS A 78 -6.462 2.053 -12.608 1.00 0.00 N ATOM 0 H LYS A 78 -3.612 0.293 -7.747 1.00 0.00 H new ATOM 0 HA LYS A 78 -5.549 -1.750 -7.314 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -3.822 -1.047 -9.727 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -5.222 -2.100 -9.768 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -6.676 -0.221 -9.082 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -5.283 0.837 -8.982 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -4.827 0.354 -11.427 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -6.333 -0.540 -11.482 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -7.629 1.426 -10.956 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -6.197 2.340 -10.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -6.995 2.939 -12.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -5.461 2.220 -12.836 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -6.849 1.334 -13.252 1.00 0.00 H new ATOM 1113 N VAL A 79 -2.418 -2.630 -7.806 1.00 0.00 N ATOM 1114 CA VAL A 79 -1.417 -3.680 -7.708 1.00 0.00 C ATOM 1115 C VAL A 79 -1.306 -4.206 -6.261 1.00 0.00 C ATOM 1116 O VAL A 79 -1.214 -5.418 -6.041 1.00 0.00 O ATOM 1117 CB VAL A 79 -0.046 -3.128 -8.198 1.00 0.00 C ATOM 1118 CG1 VAL A 79 1.047 -4.164 -8.088 1.00 0.00 C ATOM 1119 CG2 VAL A 79 -0.137 -2.626 -9.637 1.00 0.00 C ATOM 0 H VAL A 79 -2.020 -1.712 -8.001 1.00 0.00 H new ATOM 0 HA VAL A 79 -1.717 -4.516 -8.339 1.00 0.00 H new ATOM 0 HB VAL A 79 0.208 -2.292 -7.546 1.00 0.00 H new ATOM 0 HG11 VAL A 79 1.987 -3.740 -8.440 1.00 0.00 H new ATOM 0 HG12 VAL A 79 1.154 -4.471 -7.048 1.00 0.00 H new ATOM 0 HG13 VAL A 79 0.790 -5.030 -8.697 1.00 0.00 H new ATOM 0 HG21 VAL A 79 0.835 -2.246 -9.952 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -0.436 -3.446 -10.290 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -0.876 -1.827 -9.697 1.00 0.00 H new ATOM 1129 N LEU A 80 -1.328 -3.276 -5.289 1.00 0.00 N ATOM 1130 CA LEU A 80 -1.234 -3.617 -3.860 1.00 0.00 C ATOM 1131 C LEU A 80 -2.489 -4.354 -3.377 1.00 0.00 C ATOM 1132 O LEU A 80 -2.402 -5.278 -2.563 1.00 0.00 O ATOM 1133 CB LEU A 80 -1.016 -2.347 -3.024 1.00 0.00 C ATOM 1134 CG LEU A 80 -0.185 -2.526 -1.744 1.00 0.00 C ATOM 1135 CD1 LEU A 80 0.521 -1.229 -1.380 1.00 0.00 C ATOM 1136 CD2 LEU A 80 -1.053 -2.994 -0.582 1.00 0.00 C ATOM 0 H LEU A 80 -1.411 -2.276 -5.471 1.00 0.00 H new ATOM 0 HA LEU A 80 -0.381 -4.283 -3.732 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -0.528 -1.601 -3.651 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -1.991 -1.944 -2.749 1.00 0.00 H new ATOM 0 HG LEU A 80 0.564 -3.293 -1.940 1.00 0.00 H new ATOM 0 HD11 LEU A 80 1.105 -1.375 -0.471 1.00 0.00 H new ATOM 0 HD12 LEU A 80 1.184 -0.935 -2.194 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -0.219 -0.446 -1.214 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -0.436 -3.111 0.309 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -1.832 -2.256 -0.389 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -1.513 -3.950 -0.833 1.00 0.00 H new ATOM 1148 N HIS A 81 -3.652 -3.930 -3.895 1.00 0.00 N ATOM 1149 CA HIS A 81 -4.950 -4.529 -3.552 1.00 0.00 C ATOM 1150 C HIS A 81 -5.070 -5.961 -4.106 1.00 0.00 C ATOM 1151 O HIS A 81 -5.437 -6.890 -3.381 1.00 0.00 O ATOM 1152 CB HIS A 81 -6.079 -3.645 -4.104 1.00 0.00 C ATOM 1153 CG HIS A 81 -7.376 -3.758 -3.360 1.00 0.00 C ATOM 1154 ND1 HIS A 81 -7.739 -2.896 -2.346 1.00 0.00 N ATOM 1155 CD2 HIS A 81 -8.405 -4.627 -3.498 1.00 0.00 C ATOM 1156 CE1 HIS A 81 -8.934 -3.230 -1.893 1.00 0.00 C ATOM 1157 NE2 HIS A 81 -9.360 -4.277 -2.576 1.00 0.00 N ATOM 0 H HIS A 81 -3.719 -3.162 -4.563 1.00 0.00 H new ATOM 0 HA HIS A 81 -5.030 -4.589 -2.467 1.00 0.00 H new ATOM 0 HB2 HIS A 81 -5.752 -2.605 -4.084 1.00 0.00 H new ATOM 0 HB3 HIS A 81 -6.250 -3.905 -5.149 1.00 0.00 H new ATOM 0 HD2 HIS A 81 -8.464 -5.444 -4.202 1.00 0.00 H new ATOM 0 HE1 HIS A 81 -9.471 -2.732 -1.099 1.00 0.00 H new ATOM 0 HE2 HIS A 81 -10.254 -4.749 -2.440 1.00 0.00 H new ATOM 1166 N ALA A 82 -4.736 -6.118 -5.396 1.00 0.00 N ATOM 1167 CA ALA A 82 -4.801 -7.410 -6.094 1.00 0.00 C ATOM 1168 C ALA A 82 -3.723 -8.406 -5.636 1.00 0.00 C ATOM 1169 O ALA A 82 -3.877 -9.615 -5.835 1.00 0.00 O ATOM 1170 CB ALA A 82 -4.700 -7.191 -7.595 1.00 0.00 C ATOM 0 H ALA A 82 -4.413 -5.351 -5.985 1.00 0.00 H new ATOM 0 HA ALA A 82 -5.763 -7.855 -5.840 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -4.749 -8.152 -8.107 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -5.525 -6.561 -7.927 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -3.754 -6.703 -7.829 1.00 0.00 H new ATOM 1176 N ALA A 83 -2.639 -7.898 -5.024 1.00 0.00 N ATOM 1177 CA ALA A 83 -1.527 -8.743 -4.570 1.00 0.00 C ATOM 1178 C ALA A 83 -1.806 -9.332 -3.193 1.00 0.00 C ATOM 1179 O ALA A 83 -1.420 -10.468 -2.900 1.00 0.00 O ATOM 1180 CB ALA A 83 -0.233 -7.942 -4.550 1.00 0.00 C ATOM 0 H ALA A 83 -2.512 -6.904 -4.833 1.00 0.00 H new ATOM 0 HA ALA A 83 -1.423 -9.570 -5.273 1.00 0.00 H new ATOM 0 HB1 ALA A 83 0.584 -8.579 -4.212 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -0.016 -7.576 -5.554 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -0.339 -7.096 -3.870 1.00 0.00 H new ATOM 1186 N PHE A 84 -2.478 -8.538 -2.363 1.00 0.00 N ATOM 1187 CA PHE A 84 -2.827 -8.934 -1.007 1.00 0.00 C ATOM 1188 C PHE A 84 -4.268 -9.458 -0.909 1.00 0.00 C ATOM 1189 O PHE A 84 -4.703 -9.888 0.165 1.00 0.00 O ATOM 1190 CB PHE A 84 -2.635 -7.742 -0.069 1.00 0.00 C ATOM 1191 CG PHE A 84 -1.196 -7.423 0.230 1.00 0.00 C ATOM 1192 CD1 PHE A 84 -0.487 -6.538 -0.568 1.00 0.00 C ATOM 1193 CD2 PHE A 84 -0.554 -8.005 1.313 1.00 0.00 C ATOM 1194 CE1 PHE A 84 0.834 -6.241 -0.294 1.00 0.00 C ATOM 1195 CE2 PHE A 84 0.768 -7.711 1.591 1.00 0.00 C ATOM 1196 CZ PHE A 84 1.462 -6.828 0.788 1.00 0.00 C ATOM 0 H PHE A 84 -2.795 -7.602 -2.615 1.00 0.00 H new ATOM 0 HA PHE A 84 -2.168 -9.752 -0.714 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -3.106 -6.865 -0.512 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -3.154 -7.943 0.868 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -0.973 -6.075 -1.414 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -1.092 -8.695 1.946 1.00 0.00 H new ATOM 0 HE1 PHE A 84 1.375 -5.551 -0.924 1.00 0.00 H new ATOM 0 HE2 PHE A 84 1.258 -8.172 2.436 1.00 0.00 H new ATOM 0 HZ PHE A 84 2.494 -6.596 1.005 1.00 0.00 H new ATOM 1206 N ILE A 85 -4.999 -9.434 -2.041 1.00 0.00 N ATOM 1207 CA ILE A 85 -6.396 -9.900 -2.094 1.00 0.00 C ATOM 1208 C ILE A 85 -6.556 -11.446 -1.898 1.00 0.00 C ATOM 1209 O ILE A 85 -7.589 -11.859 -1.364 1.00 0.00 O ATOM 1210 CB ILE A 85 -7.121 -9.394 -3.395 1.00 0.00 C ATOM 1211 CG1 ILE A 85 -8.654 -9.478 -3.249 1.00 0.00 C ATOM 1212 CG2 ILE A 85 -6.670 -10.141 -4.651 1.00 0.00 C ATOM 1213 CD1 ILE A 85 -9.282 -8.285 -2.550 1.00 0.00 C ATOM 0 H ILE A 85 -4.641 -9.095 -2.934 1.00 0.00 H new ATOM 0 HA ILE A 85 -6.893 -9.450 -1.235 1.00 0.00 H new ATOM 0 HB ILE A 85 -6.833 -8.350 -3.516 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -9.097 -9.578 -4.240 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -8.905 -10.382 -2.695 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -7.203 -9.750 -5.518 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -5.598 -10.003 -4.791 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -6.887 -11.203 -4.540 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -10.361 -8.425 -2.490 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -8.871 -8.195 -1.545 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -9.065 -7.378 -3.114 1.00 0.00 H new ATOM 1225 N PRO A 86 -5.578 -12.334 -2.314 1.00 0.00 N ATOM 1226 CA PRO A 86 -5.717 -13.803 -2.124 1.00 0.00 C ATOM 1227 C PRO A 86 -5.917 -14.220 -0.658 1.00 0.00 C ATOM 1228 O PRO A 86 -6.474 -15.287 -0.386 1.00 0.00 O ATOM 1229 CB PRO A 86 -4.393 -14.368 -2.649 1.00 0.00 C ATOM 1230 CG PRO A 86 -3.894 -13.340 -3.600 1.00 0.00 C ATOM 1231 CD PRO A 86 -4.301 -12.020 -3.012 1.00 0.00 C ATOM 0 HA PRO A 86 -6.602 -14.175 -2.641 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -3.684 -14.534 -1.838 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -4.541 -15.327 -3.145 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -2.812 -13.402 -3.713 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -4.327 -13.479 -4.591 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -3.549 -11.638 -2.322 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -4.440 -11.262 -3.783 1.00 0.00 H new ATOM 1239 N PHE A 87 -5.458 -13.367 0.274 1.00 0.00 N ATOM 1240 CA PHE A 87 -5.580 -13.630 1.720 1.00 0.00 C ATOM 1241 C PHE A 87 -6.992 -13.323 2.235 1.00 0.00 C ATOM 1242 O PHE A 87 -7.468 -13.964 3.176 1.00 0.00 O ATOM 1243 CB PHE A 87 -4.562 -12.792 2.512 1.00 0.00 C ATOM 1244 CG PHE A 87 -3.134 -12.950 2.055 1.00 0.00 C ATOM 1245 CD1 PHE A 87 -2.405 -14.085 2.377 1.00 0.00 C ATOM 1246 CD2 PHE A 87 -2.524 -11.957 1.299 1.00 0.00 C ATOM 1247 CE1 PHE A 87 -1.100 -14.229 1.953 1.00 0.00 C ATOM 1248 CE2 PHE A 87 -1.218 -12.097 0.875 1.00 0.00 C ATOM 1249 CZ PHE A 87 -0.505 -13.235 1.201 1.00 0.00 C ATOM 0 H PHE A 87 -4.997 -12.485 0.051 1.00 0.00 H new ATOM 0 HA PHE A 87 -5.378 -14.691 1.869 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -4.840 -11.741 2.438 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -4.626 -13.066 3.565 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -2.864 -14.865 2.966 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -3.077 -11.066 1.040 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -0.544 -15.119 2.209 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -0.754 -11.318 0.289 1.00 0.00 H new ATOM 0 HZ PHE A 87 0.516 -13.347 0.868 1.00 0.00 H new ATOM 1259 N GLY A 88 -7.645 -12.339 1.604 1.00 0.00 N ATOM 1260 CA GLY A 88 -8.988 -11.938 1.995 1.00 0.00 C ATOM 1261 C GLY A 88 -9.434 -10.666 1.298 1.00 0.00 C ATOM 1262 O GLY A 88 -8.865 -10.285 0.270 1.00 0.00 O ATOM 0 H GLY A 88 -7.259 -11.810 0.822 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -9.687 -12.741 1.763 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -9.021 -11.789 3.074 1.00 0.00 H new ATOM 1266 N ASP A 89 -10.453 -10.009 1.861 1.00 0.00 N ATOM 1267 CA ASP A 89 -10.986 -8.767 1.296 1.00 0.00 C ATOM 1268 C ASP A 89 -10.286 -7.547 1.894 1.00 0.00 C ATOM 1269 O ASP A 89 -10.099 -7.465 3.112 1.00 0.00 O ATOM 1270 CB ASP A 89 -12.492 -8.673 1.538 1.00 0.00 C ATOM 1271 CG ASP A 89 -13.262 -8.333 0.277 1.00 0.00 C ATOM 1272 OD1 ASP A 89 -13.235 -9.143 -0.674 1.00 0.00 O ATOM 1273 OD2 ASP A 89 -13.893 -7.255 0.239 1.00 0.00 O ATOM 0 H ASP A 89 -10.926 -10.319 2.710 1.00 0.00 H new ATOM 0 HA ASP A 89 -10.798 -8.781 0.222 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -12.853 -9.622 1.936 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -12.688 -7.914 2.296 1.00 0.00 H new ATOM 1278 N ILE A 90 -9.905 -6.612 1.021 1.00 0.00 N ATOM 1279 CA ILE A 90 -9.217 -5.385 1.431 1.00 0.00 C ATOM 1280 C ILE A 90 -10.148 -4.183 1.254 1.00 0.00 C ATOM 1281 O ILE A 90 -10.910 -4.116 0.285 1.00 0.00 O ATOM 1282 CB ILE A 90 -7.893 -5.179 0.631 1.00 0.00 C ATOM 1283 CG1 ILE A 90 -6.975 -6.396 0.797 1.00 0.00 C ATOM 1284 CG2 ILE A 90 -7.151 -3.914 1.074 1.00 0.00 C ATOM 1285 CD1 ILE A 90 -6.313 -6.836 -0.489 1.00 0.00 C ATOM 0 H ILE A 90 -10.063 -6.683 0.016 1.00 0.00 H new ATOM 0 HA ILE A 90 -8.951 -5.478 2.484 1.00 0.00 H new ATOM 0 HB ILE A 90 -8.164 -5.064 -0.419 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -6.204 -6.161 1.531 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -7.556 -7.226 1.199 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -6.235 -3.807 0.493 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -7.787 -3.044 0.912 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -6.902 -3.990 2.133 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -5.679 -7.701 -0.294 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -7.077 -7.103 -1.219 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -5.705 -6.022 -0.882 1.00 0.00 H new ATOM 1297 N THR A 91 -10.069 -3.241 2.202 1.00 0.00 N ATOM 1298 CA THR A 91 -10.909 -2.044 2.185 1.00 0.00 C ATOM 1299 C THR A 91 -10.273 -0.886 1.404 1.00 0.00 C ATOM 1300 O THR A 91 -10.815 -0.470 0.376 1.00 0.00 O ATOM 1301 CB THR A 91 -11.256 -1.573 3.618 1.00 0.00 C ATOM 1302 OG1 THR A 91 -10.165 -1.836 4.510 1.00 0.00 O ATOM 1303 CG2 THR A 91 -12.509 -2.271 4.126 1.00 0.00 C ATOM 0 H THR A 91 -9.427 -3.288 2.993 1.00 0.00 H new ATOM 0 HA THR A 91 -11.826 -2.332 1.671 1.00 0.00 H new ATOM 0 HB THR A 91 -11.440 -0.499 3.584 1.00 0.00 H new ATOM 0 HG1 THR A 91 -10.513 -2.166 5.364 1.00 0.00 H new ATOM 0 HG21 THR A 91 -12.735 -1.925 5.135 1.00 0.00 H new ATOM 0 HG22 THR A 91 -13.346 -2.040 3.468 1.00 0.00 H new ATOM 0 HG23 THR A 91 -12.345 -3.348 4.140 1.00 0.00 H new ATOM 1311 N ASP A 92 -9.125 -0.367 1.888 1.00 0.00 N ATOM 1312 CA ASP A 92 -8.450 0.766 1.231 1.00 0.00 C ATOM 1313 C ASP A 92 -6.924 0.690 1.332 1.00 0.00 C ATOM 1314 O ASP A 92 -6.379 0.089 2.263 1.00 0.00 O ATOM 1315 CB ASP A 92 -8.917 2.096 1.857 1.00 0.00 C ATOM 1316 CG ASP A 92 -10.373 2.428 1.557 1.00 0.00 C ATOM 1317 OD1 ASP A 92 -10.815 2.216 0.407 1.00 0.00 O ATOM 1318 OD2 ASP A 92 -11.071 2.901 2.479 1.00 0.00 O ATOM 0 H ASP A 92 -8.652 -0.712 2.723 1.00 0.00 H new ATOM 0 HA ASP A 92 -8.721 0.716 0.176 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -8.778 2.049 2.937 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -8.285 2.904 1.489 1.00 0.00 H new ATOM 1323 N ILE A 93 -6.255 1.311 0.349 1.00 0.00 N ATOM 1324 CA ILE A 93 -4.789 1.392 0.300 1.00 0.00 C ATOM 1325 C ILE A 93 -4.393 2.874 0.332 1.00 0.00 C ATOM 1326 O ILE A 93 -4.838 3.648 -0.521 1.00 0.00 O ATOM 1327 CB ILE A 93 -4.185 0.714 -0.985 1.00 0.00 C ATOM 1328 CG1 ILE A 93 -4.710 -0.734 -1.219 1.00 0.00 C ATOM 1329 CG2 ILE A 93 -2.652 0.711 -0.945 1.00 0.00 C ATOM 1330 CD1 ILE A 93 -4.741 -1.639 0.007 1.00 0.00 C ATOM 0 H ILE A 93 -6.717 1.772 -0.435 1.00 0.00 H new ATOM 0 HA ILE A 93 -4.388 0.852 1.158 1.00 0.00 H new ATOM 0 HB ILE A 93 -4.523 1.321 -1.825 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -5.719 -0.672 -1.626 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -4.088 -1.206 -1.979 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -2.265 0.236 -1.847 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -2.287 1.737 -0.891 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -2.312 0.158 -0.069 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -5.123 -2.620 -0.275 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -3.733 -1.744 0.407 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -5.389 -1.201 0.766 1.00 0.00 H new ATOM 1342 N GLN A 94 -3.563 3.262 1.307 1.00 0.00 N ATOM 1343 CA GLN A 94 -3.135 4.663 1.431 1.00 0.00 C ATOM 1344 C GLN A 94 -1.617 4.815 1.406 1.00 0.00 C ATOM 1345 O GLN A 94 -0.899 4.132 2.143 1.00 0.00 O ATOM 1346 CB GLN A 94 -3.698 5.293 2.712 1.00 0.00 C ATOM 1347 CG GLN A 94 -5.204 5.518 2.679 1.00 0.00 C ATOM 1348 CD GLN A 94 -5.709 6.267 3.897 1.00 0.00 C ATOM 1349 OE1 GLN A 94 -5.489 7.470 4.036 1.00 0.00 O ATOM 1350 NE2 GLN A 94 -6.395 5.558 4.785 1.00 0.00 N ATOM 0 H GLN A 94 -3.178 2.636 2.014 1.00 0.00 H new ATOM 0 HA GLN A 94 -3.534 5.187 0.562 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -3.455 4.650 3.558 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -3.202 6.248 2.884 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -5.464 6.076 1.780 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -5.710 4.555 2.614 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -6.554 4.563 4.630 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -6.763 6.009 5.623 1.00 0.00 H new ATOM 1359 N ILE A 95 -1.149 5.722 0.540 1.00 0.00 N ATOM 1360 CA ILE A 95 0.281 6.022 0.391 1.00 0.00 C ATOM 1361 C ILE A 95 0.509 7.543 0.510 1.00 0.00 C ATOM 1362 O ILE A 95 -0.109 8.300 -0.245 1.00 0.00 O ATOM 1363 CB ILE A 95 0.863 5.535 -0.975 1.00 0.00 C ATOM 1364 CG1 ILE A 95 0.207 4.229 -1.438 1.00 0.00 C ATOM 1365 CG2 ILE A 95 2.375 5.345 -0.887 1.00 0.00 C ATOM 1366 CD1 ILE A 95 -0.908 4.437 -2.434 1.00 0.00 C ATOM 0 H ILE A 95 -1.750 6.268 -0.077 1.00 0.00 H new ATOM 0 HA ILE A 95 0.799 5.485 1.186 1.00 0.00 H new ATOM 0 HB ILE A 95 0.641 6.310 -1.709 1.00 0.00 H new ATOM 0 HG12 ILE A 95 0.967 3.588 -1.884 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -0.186 3.701 -0.569 1.00 0.00 H new ATOM 0 HG21 ILE A 95 2.756 5.006 -1.850 1.00 0.00 H new ATOM 0 HG22 ILE A 95 2.846 6.292 -0.624 1.00 0.00 H new ATOM 0 HG23 ILE A 95 2.604 4.601 -0.124 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -1.327 3.472 -2.718 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -1.687 5.052 -1.984 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -0.516 4.937 -3.320 1.00 0.00 H new ATOM 1378 N PRO A 96 1.388 8.033 1.448 1.00 0.00 N ATOM 1379 CA PRO A 96 1.662 9.485 1.590 1.00 0.00 C ATOM 1380 C PRO A 96 2.228 10.097 0.301 1.00 0.00 C ATOM 1381 O PRO A 96 3.285 9.677 -0.186 1.00 0.00 O ATOM 1382 CB PRO A 96 2.702 9.556 2.718 1.00 0.00 C ATOM 1383 CG PRO A 96 2.555 8.277 3.464 1.00 0.00 C ATOM 1384 CD PRO A 96 2.154 7.246 2.445 1.00 0.00 C ATOM 0 HA PRO A 96 0.753 10.048 1.802 1.00 0.00 H new ATOM 0 HB2 PRO A 96 3.710 9.665 2.318 1.00 0.00 H new ATOM 0 HB3 PRO A 96 2.522 10.413 3.367 1.00 0.00 H new ATOM 0 HG2 PRO A 96 3.490 8.000 3.952 1.00 0.00 H new ATOM 0 HG3 PRO A 96 1.801 8.366 4.246 1.00 0.00 H new ATOM 0 HD2 PRO A 96 3.023 6.765 1.996 1.00 0.00 H new ATOM 0 HD3 PRO A 96 1.546 6.457 2.888 1.00 0.00 H new ATOM 1392 N LEU A 97 1.506 11.081 -0.246 1.00 0.00 N ATOM 1393 CA LEU A 97 1.912 11.746 -1.483 1.00 0.00 C ATOM 1394 C LEU A 97 1.944 13.265 -1.314 1.00 0.00 C ATOM 1395 O LEU A 97 1.027 13.851 -0.731 1.00 0.00 O ATOM 1396 CB LEU A 97 0.955 11.364 -2.619 1.00 0.00 C ATOM 1397 CG LEU A 97 1.547 11.435 -4.028 1.00 0.00 C ATOM 1398 CD1 LEU A 97 1.956 10.050 -4.505 1.00 0.00 C ATOM 1399 CD2 LEU A 97 0.552 12.063 -4.992 1.00 0.00 C ATOM 0 H LEU A 97 0.635 11.433 0.152 1.00 0.00 H new ATOM 0 HA LEU A 97 2.920 11.414 -1.730 1.00 0.00 H new ATOM 0 HB2 LEU A 97 0.598 10.349 -2.444 1.00 0.00 H new ATOM 0 HB3 LEU A 97 0.086 12.020 -2.575 1.00 0.00 H new ATOM 0 HG LEU A 97 2.438 12.063 -3.997 1.00 0.00 H new ATOM 0 HD11 LEU A 97 2.375 10.120 -5.509 1.00 0.00 H new ATOM 0 HD12 LEU A 97 2.704 9.638 -3.828 1.00 0.00 H new ATOM 0 HD13 LEU A 97 1.083 9.398 -4.521 1.00 0.00 H new ATOM 0 HD21 LEU A 97 0.989 12.106 -5.990 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -0.357 11.462 -5.020 1.00 0.00 H new ATOM 0 HD23 LEU A 97 0.310 13.072 -4.659 1.00 0.00 H new ATOM 1411 N ASP A 98 3.012 13.886 -1.829 1.00 0.00 N ATOM 1412 CA ASP A 98 3.181 15.343 -1.765 1.00 0.00 C ATOM 1413 C ASP A 98 2.676 15.992 -3.051 1.00 0.00 C ATOM 1414 O ASP A 98 2.809 15.418 -4.129 1.00 0.00 O ATOM 1415 CB ASP A 98 4.655 15.715 -1.545 1.00 0.00 C ATOM 1416 CG ASP A 98 5.212 15.222 -0.215 1.00 0.00 C ATOM 1417 OD1 ASP A 98 4.500 15.322 0.810 1.00 0.00 O ATOM 1418 OD2 ASP A 98 6.361 14.735 -0.201 1.00 0.00 O ATOM 0 H ASP A 98 3.776 13.399 -2.297 1.00 0.00 H new ATOM 0 HA ASP A 98 2.598 15.712 -0.921 1.00 0.00 H new ATOM 0 HB2 ASP A 98 5.252 15.299 -2.357 1.00 0.00 H new ATOM 0 HB3 ASP A 98 4.760 16.799 -1.595 1.00 0.00 H new ATOM 1423 N TYR A 99 2.081 17.182 -2.925 1.00 0.00 N ATOM 1424 CA TYR A 99 1.547 17.930 -4.080 1.00 0.00 C ATOM 1425 C TYR A 99 2.642 18.372 -5.062 1.00 0.00 C ATOM 1426 O TYR A 99 2.419 18.416 -6.275 1.00 0.00 O ATOM 1427 CB TYR A 99 0.774 19.163 -3.599 1.00 0.00 C ATOM 1428 CG TYR A 99 -0.522 18.838 -2.888 1.00 0.00 C ATOM 1429 CD1 TYR A 99 -1.647 18.464 -3.607 1.00 0.00 C ATOM 1430 CD2 TYR A 99 -0.619 18.910 -1.505 1.00 0.00 C ATOM 1431 CE1 TYR A 99 -2.837 18.169 -2.970 1.00 0.00 C ATOM 1432 CE2 TYR A 99 -1.804 18.617 -0.858 1.00 0.00 C ATOM 1433 CZ TYR A 99 -2.910 18.247 -1.595 1.00 0.00 C ATOM 1434 OH TYR A 99 -4.092 17.953 -0.955 1.00 0.00 O ATOM 0 H TYR A 99 1.954 17.655 -2.030 1.00 0.00 H new ATOM 0 HA TYR A 99 0.883 17.249 -4.612 1.00 0.00 H new ATOM 0 HB2 TYR A 99 1.410 19.739 -2.927 1.00 0.00 H new ATOM 0 HB3 TYR A 99 0.556 19.800 -4.456 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -1.592 18.402 -4.684 1.00 0.00 H new ATOM 0 HD2 TYR A 99 0.245 19.200 -0.926 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -3.704 17.879 -3.545 1.00 0.00 H new ATOM 0 HE2 TYR A 99 -1.864 18.677 0.219 1.00 0.00 H new ATOM 0 HH TYR A 99 -3.974 18.055 0.013 1.00 0.00 H new ATOM 1444 N GLU A 100 3.817 18.694 -4.514 1.00 0.00 N ATOM 1445 CA GLU A 100 4.968 19.171 -5.297 1.00 0.00 C ATOM 1446 C GLU A 100 5.608 18.070 -6.173 1.00 0.00 C ATOM 1447 O GLU A 100 5.877 18.304 -7.356 1.00 0.00 O ATOM 1448 CB GLU A 100 6.014 19.766 -4.336 1.00 0.00 C ATOM 1449 CG GLU A 100 7.091 20.616 -5.011 1.00 0.00 C ATOM 1450 CD GLU A 100 8.180 21.057 -4.050 1.00 0.00 C ATOM 1451 OE1 GLU A 100 8.895 20.181 -3.515 1.00 0.00 O ATOM 1452 OE2 GLU A 100 8.320 22.279 -3.834 1.00 0.00 O ATOM 0 H GLU A 100 4.001 18.632 -3.513 1.00 0.00 H new ATOM 0 HA GLU A 100 4.604 19.932 -5.987 1.00 0.00 H new ATOM 0 HB2 GLU A 100 5.500 20.377 -3.594 1.00 0.00 H new ATOM 0 HB3 GLU A 100 6.498 18.951 -3.798 1.00 0.00 H new ATOM 0 HG2 GLU A 100 7.540 20.047 -5.825 1.00 0.00 H new ATOM 0 HG3 GLU A 100 6.627 21.496 -5.456 1.00 0.00 H new ATOM 1459 N THR A 101 5.844 16.887 -5.592 1.00 0.00 N ATOM 1460 CA THR A 101 6.480 15.777 -6.320 1.00 0.00 C ATOM 1461 C THR A 101 5.488 14.720 -6.793 1.00 0.00 C ATOM 1462 O THR A 101 5.726 14.064 -7.809 1.00 0.00 O ATOM 1463 CB THR A 101 7.559 15.090 -5.453 1.00 0.00 C ATOM 1464 OG1 THR A 101 7.027 14.773 -4.161 1.00 0.00 O ATOM 1465 CG2 THR A 101 8.791 15.975 -5.299 1.00 0.00 C ATOM 0 H THR A 101 5.606 16.672 -4.624 1.00 0.00 H new ATOM 0 HA THR A 101 6.934 16.230 -7.201 1.00 0.00 H new ATOM 0 HB THR A 101 7.858 14.171 -5.958 1.00 0.00 H new ATOM 0 HG1 THR A 101 7.718 14.337 -3.621 1.00 0.00 H new ATOM 0 HG21 THR A 101 9.532 15.464 -4.684 1.00 0.00 H new ATOM 0 HG22 THR A 101 9.215 16.182 -6.281 1.00 0.00 H new ATOM 0 HG23 THR A 101 8.508 16.913 -4.821 1.00 0.00 H new ATOM 1473 N GLU A 102 4.358 14.574 -6.074 1.00 0.00 N ATOM 1474 CA GLU A 102 3.309 13.570 -6.398 1.00 0.00 C ATOM 1475 C GLU A 102 3.886 12.137 -6.451 1.00 0.00 C ATOM 1476 O GLU A 102 3.334 11.250 -7.116 1.00 0.00 O ATOM 1477 CB GLU A 102 2.591 13.918 -7.721 1.00 0.00 C ATOM 1478 CG GLU A 102 1.731 15.172 -7.646 1.00 0.00 C ATOM 1479 CD GLU A 102 0.983 15.445 -8.936 1.00 0.00 C ATOM 1480 OE1 GLU A 102 1.535 16.153 -9.804 1.00 0.00 O ATOM 1481 OE2 GLU A 102 -0.155 14.951 -9.079 1.00 0.00 O ATOM 0 H GLU A 102 4.141 15.142 -5.255 1.00 0.00 H new ATOM 0 HA GLU A 102 2.575 13.602 -5.593 1.00 0.00 H new ATOM 0 HB2 GLU A 102 3.337 14.048 -8.505 1.00 0.00 H new ATOM 0 HB3 GLU A 102 1.964 13.076 -8.015 1.00 0.00 H new ATOM 0 HG2 GLU A 102 1.015 15.069 -6.830 1.00 0.00 H new ATOM 0 HG3 GLU A 102 2.363 16.028 -7.409 1.00 0.00 H new ATOM 1488 N LYS A 103 4.995 11.925 -5.724 1.00 0.00 N ATOM 1489 CA LYS A 103 5.675 10.626 -5.685 1.00 0.00 C ATOM 1490 C LYS A 103 5.757 10.103 -4.250 1.00 0.00 C ATOM 1491 O LYS A 103 5.728 10.888 -3.297 1.00 0.00 O ATOM 1492 CB LYS A 103 7.100 10.729 -6.268 1.00 0.00 C ATOM 1493 CG LYS A 103 7.203 11.481 -7.594 1.00 0.00 C ATOM 1494 CD LYS A 103 8.365 10.978 -8.433 1.00 0.00 C ATOM 1495 CE LYS A 103 8.477 11.742 -9.743 1.00 0.00 C ATOM 1496 NZ LYS A 103 9.136 10.934 -10.805 1.00 0.00 N ATOM 0 H LYS A 103 5.440 12.644 -5.153 1.00 0.00 H new ATOM 0 HA LYS A 103 5.092 9.933 -6.291 1.00 0.00 H new ATOM 0 HB2 LYS A 103 7.740 11.223 -5.537 1.00 0.00 H new ATOM 0 HB3 LYS A 103 7.493 9.722 -6.407 1.00 0.00 H new ATOM 0 HG2 LYS A 103 6.274 11.365 -8.152 1.00 0.00 H new ATOM 0 HG3 LYS A 103 7.328 12.546 -7.400 1.00 0.00 H new ATOM 0 HD2 LYS A 103 9.293 11.080 -7.870 1.00 0.00 H new ATOM 0 HD3 LYS A 103 8.233 9.916 -8.640 1.00 0.00 H new ATOM 0 HE2 LYS A 103 7.482 12.037 -10.077 1.00 0.00 H new ATOM 0 HE3 LYS A 103 9.044 12.659 -9.581 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 9.192 11.492 -11.681 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 10.095 10.674 -10.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 8.582 10.071 -10.979 1.00 0.00 H new ATOM 1510 N HIS A 104 5.860 8.776 -4.109 1.00 0.00 N ATOM 1511 CA HIS A 104 5.960 8.140 -2.791 1.00 0.00 C ATOM 1512 C HIS A 104 7.385 7.631 -2.535 1.00 0.00 C ATOM 1513 O HIS A 104 8.185 7.515 -3.470 1.00 0.00 O ATOM 1514 CB HIS A 104 4.924 7.001 -2.652 1.00 0.00 C ATOM 1515 CG HIS A 104 5.078 5.869 -3.634 1.00 0.00 C ATOM 1516 ND1 HIS A 104 5.515 4.611 -3.268 1.00 0.00 N ATOM 1517 CD2 HIS A 104 4.838 5.809 -4.965 1.00 0.00 C ATOM 1518 CE1 HIS A 104 5.535 3.827 -4.332 1.00 0.00 C ATOM 1519 NE2 HIS A 104 5.129 4.530 -5.373 1.00 0.00 N ATOM 0 H HIS A 104 5.876 8.122 -4.892 1.00 0.00 H new ATOM 0 HA HIS A 104 5.735 8.890 -2.033 1.00 0.00 H new ATOM 0 HB2 HIS A 104 4.987 6.596 -1.642 1.00 0.00 H new ATOM 0 HB3 HIS A 104 3.926 7.424 -2.764 1.00 0.00 H new ATOM 0 HD2 HIS A 104 4.484 6.616 -5.589 1.00 0.00 H new ATOM 0 HE1 HIS A 104 5.833 2.789 -4.347 1.00 0.00 H new ATOM 0 HE2 HIS A 104 5.045 4.180 -6.327 1.00 0.00 H new ATOM 1528 N ARG A 105 7.690 7.328 -1.266 1.00 0.00 N ATOM 1529 CA ARG A 105 9.019 6.839 -0.875 1.00 0.00 C ATOM 1530 C ARG A 105 9.133 5.309 -0.983 1.00 0.00 C ATOM 1531 O ARG A 105 10.205 4.745 -0.727 1.00 0.00 O ATOM 1532 CB ARG A 105 9.362 7.296 0.551 1.00 0.00 C ATOM 1533 CG ARG A 105 9.554 8.800 0.690 1.00 0.00 C ATOM 1534 CD ARG A 105 10.003 9.176 2.093 1.00 0.00 C ATOM 1535 NE ARG A 105 10.028 10.629 2.291 1.00 0.00 N ATOM 1536 CZ ARG A 105 11.142 11.374 2.347 1.00 0.00 C ATOM 1537 NH1 ARG A 105 12.348 10.823 2.224 1.00 0.00 N ATOM 1538 NH2 ARG A 105 11.044 12.684 2.528 1.00 0.00 N ATOM 0 H ARG A 105 7.032 7.413 -0.491 1.00 0.00 H new ATOM 0 HA ARG A 105 9.736 7.269 -1.574 1.00 0.00 H new ATOM 0 HB2 ARG A 105 8.566 6.978 1.225 1.00 0.00 H new ATOM 0 HB3 ARG A 105 10.273 6.792 0.874 1.00 0.00 H new ATOM 0 HG2 ARG A 105 10.294 9.142 -0.034 1.00 0.00 H new ATOM 0 HG3 ARG A 105 8.620 9.310 0.457 1.00 0.00 H new ATOM 0 HD2 ARG A 105 9.332 8.722 2.822 1.00 0.00 H new ATOM 0 HD3 ARG A 105 10.997 8.768 2.277 1.00 0.00 H new ATOM 0 HE ARG A 105 9.133 11.108 2.394 1.00 0.00 H new ATOM 0 HH11 ARG A 105 12.437 9.817 2.084 1.00 0.00 H new ATOM 0 HH12 ARG A 105 13.183 11.407 2.269 1.00 0.00 H new ATOM 0 HH21 ARG A 105 10.126 13.118 2.624 1.00 0.00 H new ATOM 0 HH22 ARG A 105 11.887 13.257 2.572 1.00 0.00 H new ATOM 1552 N GLY A 106 8.034 4.645 -1.375 1.00 0.00 N ATOM 1553 CA GLY A 106 8.044 3.195 -1.525 1.00 0.00 C ATOM 1554 C GLY A 106 7.430 2.434 -0.359 1.00 0.00 C ATOM 1555 O GLY A 106 7.810 1.286 -0.116 1.00 0.00 O ATOM 0 H GLY A 106 7.141 5.089 -1.590 1.00 0.00 H new ATOM 0 HA2 GLY A 106 7.506 2.933 -2.436 1.00 0.00 H new ATOM 0 HA3 GLY A 106 9.074 2.863 -1.656 1.00 0.00 H new ATOM 1559 N PHE A 107 6.509 3.073 0.381 1.00 0.00 N ATOM 1560 CA PHE A 107 5.815 2.413 1.499 1.00 0.00 C ATOM 1561 C PHE A 107 4.368 2.897 1.612 1.00 0.00 C ATOM 1562 O PHE A 107 4.067 4.055 1.318 1.00 0.00 O ATOM 1563 CB PHE A 107 6.561 2.575 2.845 1.00 0.00 C ATOM 1564 CG PHE A 107 6.925 3.988 3.239 1.00 0.00 C ATOM 1565 CD1 PHE A 107 5.989 4.825 3.827 1.00 0.00 C ATOM 1566 CD2 PHE A 107 8.213 4.461 3.046 1.00 0.00 C ATOM 1567 CE1 PHE A 107 6.332 6.108 4.212 1.00 0.00 C ATOM 1568 CE2 PHE A 107 8.560 5.743 3.426 1.00 0.00 C ATOM 1569 CZ PHE A 107 7.620 6.566 4.011 1.00 0.00 C ATOM 0 H PHE A 107 6.229 4.041 0.226 1.00 0.00 H new ATOM 0 HA PHE A 107 5.805 1.347 1.273 1.00 0.00 H new ATOM 0 HB2 PHE A 107 5.942 2.148 3.634 1.00 0.00 H new ATOM 0 HB3 PHE A 107 7.476 1.984 2.803 1.00 0.00 H new ATOM 0 HD1 PHE A 107 4.981 4.471 3.986 1.00 0.00 H new ATOM 0 HD2 PHE A 107 8.955 3.820 2.593 1.00 0.00 H new ATOM 0 HE1 PHE A 107 5.594 6.751 4.669 1.00 0.00 H new ATOM 0 HE2 PHE A 107 9.566 6.101 3.265 1.00 0.00 H new ATOM 0 HZ PHE A 107 7.891 7.567 4.312 1.00 0.00 H new ATOM 1579 N ALA A 108 3.487 1.983 2.050 1.00 0.00 N ATOM 1580 CA ALA A 108 2.051 2.261 2.197 1.00 0.00 C ATOM 1581 C ALA A 108 1.436 1.427 3.327 1.00 0.00 C ATOM 1582 O ALA A 108 2.074 0.504 3.840 1.00 0.00 O ATOM 1583 CB ALA A 108 1.328 1.955 0.887 1.00 0.00 C ATOM 0 H ALA A 108 3.750 1.033 2.311 1.00 0.00 H new ATOM 0 HA ALA A 108 1.935 3.316 2.446 1.00 0.00 H new ATOM 0 HB1 ALA A 108 0.264 2.163 1.001 1.00 0.00 H new ATOM 0 HB2 ALA A 108 1.736 2.579 0.092 1.00 0.00 H new ATOM 0 HB3 ALA A 108 1.467 0.905 0.631 1.00 0.00 H new ATOM 1589 N PHE A 109 0.208 1.781 3.727 1.00 0.00 N ATOM 1590 CA PHE A 109 -0.522 1.036 4.758 1.00 0.00 C ATOM 1591 C PHE A 109 -1.710 0.339 4.105 1.00 0.00 C ATOM 1592 O PHE A 109 -2.396 0.939 3.273 1.00 0.00 O ATOM 1593 CB PHE A 109 -1.029 1.955 5.882 1.00 0.00 C ATOM 1594 CG PHE A 109 0.044 2.745 6.583 1.00 0.00 C ATOM 1595 CD1 PHE A 109 0.468 3.965 6.079 1.00 0.00 C ATOM 1596 CD2 PHE A 109 0.618 2.271 7.751 1.00 0.00 C ATOM 1597 CE1 PHE A 109 1.444 4.697 6.727 1.00 0.00 C ATOM 1598 CE2 PHE A 109 1.595 2.999 8.404 1.00 0.00 C ATOM 1599 CZ PHE A 109 2.009 4.212 7.892 1.00 0.00 C ATOM 0 H PHE A 109 -0.301 2.581 3.351 1.00 0.00 H new ATOM 0 HA PHE A 109 0.160 0.313 5.205 1.00 0.00 H new ATOM 0 HB2 PHE A 109 -1.757 2.650 5.464 1.00 0.00 H new ATOM 0 HB3 PHE A 109 -1.554 1.348 6.619 1.00 0.00 H new ATOM 0 HD1 PHE A 109 0.030 4.348 5.169 1.00 0.00 H new ATOM 0 HD2 PHE A 109 0.299 1.322 8.156 1.00 0.00 H new ATOM 0 HE1 PHE A 109 1.765 5.646 6.324 1.00 0.00 H new ATOM 0 HE2 PHE A 109 2.034 2.619 9.314 1.00 0.00 H new ATOM 0 HZ PHE A 109 2.773 4.781 8.400 1.00 0.00 H new ATOM 1609 N VAL A 110 -1.951 -0.916 4.482 1.00 0.00 N ATOM 1610 CA VAL A 110 -3.062 -1.679 3.916 1.00 0.00 C ATOM 1611 C VAL A 110 -4.132 -1.951 4.987 1.00 0.00 C ATOM 1612 O VAL A 110 -3.817 -2.387 6.099 1.00 0.00 O ATOM 1613 CB VAL A 110 -2.564 -2.996 3.214 1.00 0.00 C ATOM 1614 CG1 VAL A 110 -1.796 -3.924 4.156 1.00 0.00 C ATOM 1615 CG2 VAL A 110 -3.713 -3.751 2.547 1.00 0.00 C ATOM 0 H VAL A 110 -1.396 -1.423 5.172 1.00 0.00 H new ATOM 0 HA VAL A 110 -3.528 -1.077 3.136 1.00 0.00 H new ATOM 0 HB VAL A 110 -1.866 -2.671 2.443 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -1.480 -4.814 3.612 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -0.919 -3.405 4.543 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -2.441 -4.216 4.985 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -3.328 -4.654 2.073 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -4.454 -4.023 3.298 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -4.177 -3.115 1.793 1.00 0.00 H new ATOM 1625 N GLU A 111 -5.389 -1.685 4.619 1.00 0.00 N ATOM 1626 CA GLU A 111 -6.532 -1.864 5.514 1.00 0.00 C ATOM 1627 C GLU A 111 -7.311 -3.129 5.152 1.00 0.00 C ATOM 1628 O GLU A 111 -7.651 -3.342 3.987 1.00 0.00 O ATOM 1629 CB GLU A 111 -7.451 -0.637 5.415 1.00 0.00 C ATOM 1630 CG GLU A 111 -8.213 -0.313 6.693 1.00 0.00 C ATOM 1631 CD GLU A 111 -9.502 0.441 6.430 1.00 0.00 C ATOM 1632 OE1 GLU A 111 -9.429 1.624 6.035 1.00 0.00 O ATOM 1633 OE2 GLU A 111 -10.586 -0.152 6.618 1.00 0.00 O ATOM 0 H GLU A 111 -5.641 -1.340 3.693 1.00 0.00 H new ATOM 0 HA GLU A 111 -6.167 -1.969 6.536 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -6.851 0.229 5.136 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -8.168 -0.800 4.611 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -8.440 -1.239 7.221 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -7.577 0.281 7.350 1.00 0.00 H new ATOM 1640 N PHE A 112 -7.593 -3.955 6.163 1.00 0.00 N ATOM 1641 CA PHE A 112 -8.343 -5.196 5.969 1.00 0.00 C ATOM 1642 C PHE A 112 -9.660 -5.168 6.736 1.00 0.00 C ATOM 1643 O PHE A 112 -9.750 -4.562 7.806 1.00 0.00 O ATOM 1644 CB PHE A 112 -7.514 -6.404 6.411 1.00 0.00 C ATOM 1645 CG PHE A 112 -6.469 -6.828 5.415 1.00 0.00 C ATOM 1646 CD1 PHE A 112 -5.187 -6.302 5.456 1.00 0.00 C ATOM 1647 CD2 PHE A 112 -6.774 -7.759 4.434 1.00 0.00 C ATOM 1648 CE1 PHE A 112 -4.234 -6.699 4.540 1.00 0.00 C ATOM 1649 CE2 PHE A 112 -5.822 -8.157 3.516 1.00 0.00 C ATOM 1650 CZ PHE A 112 -4.552 -7.626 3.571 1.00 0.00 C ATOM 0 H PHE A 112 -7.311 -3.784 7.128 1.00 0.00 H new ATOM 0 HA PHE A 112 -8.562 -5.285 4.905 1.00 0.00 H new ATOM 0 HB2 PHE A 112 -7.026 -6.170 7.357 1.00 0.00 H new ATOM 0 HB3 PHE A 112 -8.184 -7.243 6.598 1.00 0.00 H new ATOM 0 HD1 PHE A 112 -4.931 -5.574 6.212 1.00 0.00 H new ATOM 0 HD2 PHE A 112 -7.768 -8.178 4.387 1.00 0.00 H new ATOM 0 HE1 PHE A 112 -3.238 -6.283 4.583 1.00 0.00 H new ATOM 0 HE2 PHE A 112 -6.073 -8.883 2.757 1.00 0.00 H new ATOM 0 HZ PHE A 112 -3.806 -7.936 2.855 1.00 0.00 H new ATOM 1660 N GLU A 113 -10.684 -5.821 6.169 1.00 0.00 N ATOM 1661 CA GLU A 113 -12.017 -5.900 6.786 1.00 0.00 C ATOM 1662 C GLU A 113 -12.014 -6.865 7.989 1.00 0.00 C ATOM 1663 O GLU A 113 -12.701 -6.625 8.986 1.00 0.00 O ATOM 1664 CB GLU A 113 -13.050 -6.342 5.735 1.00 0.00 C ATOM 1665 CG GLU A 113 -14.503 -6.111 6.138 1.00 0.00 C ATOM 1666 CD GLU A 113 -15.490 -6.684 5.138 1.00 0.00 C ATOM 1667 OE1 GLU A 113 -15.514 -7.923 4.964 1.00 0.00 O ATOM 1668 OE2 GLU A 113 -16.240 -5.895 4.527 1.00 0.00 O ATOM 0 H GLU A 113 -10.613 -6.307 5.275 1.00 0.00 H new ATOM 0 HA GLU A 113 -12.289 -4.912 7.157 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -12.855 -5.807 4.805 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -12.908 -7.403 5.528 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -14.680 -6.561 7.115 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -14.680 -5.041 6.243 1.00 0.00 H new ATOM 1675 N LEU A 114 -11.235 -7.947 7.870 1.00 0.00 N ATOM 1676 CA LEU A 114 -11.122 -8.957 8.925 1.00 0.00 C ATOM 1677 C LEU A 114 -9.796 -8.852 9.656 1.00 0.00 C ATOM 1678 O LEU A 114 -8.760 -8.586 9.044 1.00 0.00 O ATOM 1679 CB LEU A 114 -11.239 -10.375 8.337 1.00 0.00 C ATOM 1680 CG LEU A 114 -12.659 -10.919 8.156 1.00 0.00 C ATOM 1681 CD1 LEU A 114 -13.259 -10.451 6.837 1.00 0.00 C ATOM 1682 CD2 LEU A 114 -12.643 -12.439 8.225 1.00 0.00 C ATOM 0 H LEU A 114 -10.669 -8.145 7.045 1.00 0.00 H new ATOM 0 HA LEU A 114 -11.936 -8.773 9.626 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -10.742 -10.385 7.367 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -10.690 -11.060 8.983 1.00 0.00 H new ATOM 0 HG LEU A 114 -13.283 -10.533 8.962 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -14.267 -10.851 6.734 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -13.298 -9.362 6.821 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -12.642 -10.804 6.011 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -13.656 -12.820 8.096 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -12.004 -12.832 7.435 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -12.258 -12.755 9.194 1.00 0.00 H new ATOM 1694 N ALA A 115 -9.840 -9.049 10.978 1.00 0.00 N ATOM 1695 CA ALA A 115 -8.630 -9.053 11.806 1.00 0.00 C ATOM 1696 C ALA A 115 -7.880 -10.374 11.595 1.00 0.00 C ATOM 1697 O ALA A 115 -6.680 -10.486 11.864 1.00 0.00 O ATOM 1698 CB ALA A 115 -8.987 -8.867 13.274 1.00 0.00 C ATOM 0 H ALA A 115 -10.703 -9.208 11.498 1.00 0.00 H new ATOM 0 HA ALA A 115 -7.987 -8.224 11.511 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -8.077 -8.873 13.873 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -9.502 -7.915 13.405 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -9.638 -9.680 13.596 1.00 0.00 H new ATOM 1704 N GLU A 116 -8.638 -11.363 11.090 1.00 0.00 N ATOM 1705 CA GLU A 116 -8.150 -12.710 10.793 1.00 0.00 C ATOM 1706 C GLU A 116 -7.230 -12.716 9.554 1.00 0.00 C ATOM 1707 O GLU A 116 -6.120 -13.258 9.602 1.00 0.00 O ATOM 1708 CB GLU A 116 -9.373 -13.625 10.578 1.00 0.00 C ATOM 1709 CG GLU A 116 -9.051 -15.096 10.388 1.00 0.00 C ATOM 1710 CD GLU A 116 -10.279 -15.935 10.086 1.00 0.00 C ATOM 1711 OE1 GLU A 116 -10.895 -15.730 9.018 1.00 0.00 O ATOM 1712 OE2 GLU A 116 -10.625 -16.799 10.920 1.00 0.00 O ATOM 0 H GLU A 116 -9.627 -11.240 10.874 1.00 0.00 H new ATOM 0 HA GLU A 116 -7.551 -13.075 11.628 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -10.039 -13.523 11.435 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -9.921 -13.273 9.704 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -8.334 -15.204 9.574 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -8.570 -15.477 11.289 1.00 0.00 H new ATOM 1719 N ASP A 117 -7.703 -12.098 8.457 1.00 0.00 N ATOM 1720 CA ASP A 117 -6.941 -12.025 7.200 1.00 0.00 C ATOM 1721 C ASP A 117 -5.711 -11.109 7.320 1.00 0.00 C ATOM 1722 O ASP A 117 -4.688 -11.353 6.676 1.00 0.00 O ATOM 1723 CB ASP A 117 -7.855 -11.624 6.016 1.00 0.00 C ATOM 1724 CG ASP A 117 -8.566 -10.280 6.166 1.00 0.00 C ATOM 1725 OD1 ASP A 117 -7.982 -9.348 6.752 1.00 0.00 O ATOM 1726 OD2 ASP A 117 -9.715 -10.166 5.688 1.00 0.00 O ATOM 0 H ASP A 117 -8.614 -11.640 8.417 1.00 0.00 H new ATOM 0 HA ASP A 117 -6.558 -13.024 6.992 1.00 0.00 H new ATOM 0 HB2 ASP A 117 -7.254 -11.599 5.107 1.00 0.00 H new ATOM 0 HB3 ASP A 117 -8.607 -12.401 5.880 1.00 0.00 H new ATOM 1731 N ALA A 118 -5.828 -10.057 8.152 1.00 0.00 N ATOM 1732 CA ALA A 118 -4.734 -9.101 8.387 1.00 0.00 C ATOM 1733 C ALA A 118 -3.547 -9.779 9.077 1.00 0.00 C ATOM 1734 O ALA A 118 -2.392 -9.591 8.674 1.00 0.00 O ATOM 1735 CB ALA A 118 -5.233 -7.935 9.227 1.00 0.00 C ATOM 0 H ALA A 118 -6.678 -9.848 8.676 1.00 0.00 H new ATOM 0 HA ALA A 118 -4.395 -8.728 7.421 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -4.417 -7.233 9.396 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -6.044 -7.430 8.703 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -5.596 -8.306 10.185 1.00 0.00 H new ATOM 1741 N ALA A 119 -3.849 -10.580 10.116 1.00 0.00 N ATOM 1742 CA ALA A 119 -2.826 -11.331 10.854 1.00 0.00 C ATOM 1743 C ALA A 119 -2.196 -12.389 9.947 1.00 0.00 C ATOM 1744 O ALA A 119 -1.025 -12.749 10.104 1.00 0.00 O ATOM 1745 CB ALA A 119 -3.432 -11.982 12.090 1.00 0.00 C ATOM 0 H ALA A 119 -4.798 -10.721 10.461 1.00 0.00 H new ATOM 0 HA ALA A 119 -2.048 -10.639 11.177 1.00 0.00 H new ATOM 0 HB1 ALA A 119 -2.660 -12.535 12.626 1.00 0.00 H new ATOM 0 HB2 ALA A 119 -3.845 -11.212 12.741 1.00 0.00 H new ATOM 0 HB3 ALA A 119 -4.225 -12.666 11.789 1.00 0.00 H new ATOM 1751 N ALA A 120 -3.006 -12.865 8.986 1.00 0.00 N ATOM 1752 CA ALA A 120 -2.575 -13.863 8.000 1.00 0.00 C ATOM 1753 C ALA A 120 -1.583 -13.260 7.001 1.00 0.00 C ATOM 1754 O ALA A 120 -0.659 -13.940 6.543 1.00 0.00 O ATOM 1755 CB ALA A 120 -3.781 -14.431 7.264 1.00 0.00 C ATOM 0 H ALA A 120 -3.975 -12.568 8.873 1.00 0.00 H new ATOM 0 HA ALA A 120 -2.071 -14.669 8.533 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -3.448 -15.170 6.535 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -4.454 -14.904 7.979 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -4.306 -13.626 6.750 1.00 0.00 H new ATOM 1761 N ALA A 121 -1.789 -11.970 6.680 1.00 0.00 N ATOM 1762 CA ALA A 121 -0.927 -11.235 5.745 1.00 0.00 C ATOM 1763 C ALA A 121 0.477 -11.010 6.323 1.00 0.00 C ATOM 1764 O ALA A 121 1.470 -11.099 5.595 1.00 0.00 O ATOM 1765 CB ALA A 121 -1.574 -9.907 5.368 1.00 0.00 C ATOM 0 H ALA A 121 -2.554 -11.413 7.061 1.00 0.00 H new ATOM 0 HA ALA A 121 -0.814 -11.842 4.847 1.00 0.00 H new ATOM 0 HB1 ALA A 121 -0.926 -9.371 4.675 1.00 0.00 H new ATOM 0 HB2 ALA A 121 -2.538 -10.093 4.894 1.00 0.00 H new ATOM 0 HB3 ALA A 121 -1.721 -9.306 6.266 1.00 0.00 H new ATOM 1771 N ILE A 122 0.547 -10.715 7.636 1.00 0.00 N ATOM 1772 CA ILE A 122 1.834 -10.499 8.329 1.00 0.00 C ATOM 1773 C ILE A 122 2.623 -11.814 8.476 1.00 0.00 C ATOM 1774 O ILE A 122 3.854 -11.811 8.420 1.00 0.00 O ATOM 1775 CB ILE A 122 1.647 -9.809 9.722 1.00 0.00 C ATOM 1776 CG1 ILE A 122 1.089 -8.388 9.540 1.00 0.00 C ATOM 1777 CG2 ILE A 122 2.970 -9.744 10.504 1.00 0.00 C ATOM 1778 CD1 ILE A 122 0.173 -7.929 10.654 1.00 0.00 C ATOM 0 H ILE A 122 -0.271 -10.621 8.238 1.00 0.00 H new ATOM 0 HA ILE A 122 2.414 -9.821 7.703 1.00 0.00 H new ATOM 0 HB ILE A 122 0.941 -10.411 10.294 1.00 0.00 H new ATOM 0 HG12 ILE A 122 1.923 -7.691 9.461 1.00 0.00 H new ATOM 0 HG13 ILE A 122 0.545 -8.342 8.597 1.00 0.00 H new ATOM 0 HG21 ILE A 122 2.801 -9.259 11.465 1.00 0.00 H new ATOM 0 HG22 ILE A 122 3.346 -10.754 10.668 1.00 0.00 H new ATOM 0 HG23 ILE A 122 3.702 -9.173 9.933 1.00 0.00 H new ATOM 0 HD11 ILE A 122 -0.175 -6.917 10.445 1.00 0.00 H new ATOM 0 HD12 ILE A 122 -0.683 -8.600 10.721 1.00 0.00 H new ATOM 0 HD13 ILE A 122 0.716 -7.938 11.599 1.00 0.00 H new ATOM 1790 N ASP A 123 1.900 -12.923 8.661 1.00 0.00 N ATOM 1791 CA ASP A 123 2.520 -14.243 8.821 1.00 0.00 C ATOM 1792 C ASP A 123 2.895 -14.892 7.477 1.00 0.00 C ATOM 1793 O ASP A 123 3.690 -15.836 7.452 1.00 0.00 O ATOM 1794 CB ASP A 123 1.579 -15.171 9.596 1.00 0.00 C ATOM 1795 CG ASP A 123 2.324 -16.115 10.521 1.00 0.00 C ATOM 1796 OD1 ASP A 123 2.963 -15.629 11.477 1.00 0.00 O ATOM 1797 OD2 ASP A 123 2.266 -17.341 10.290 1.00 0.00 O ATOM 0 H ASP A 123 0.881 -12.933 8.704 1.00 0.00 H new ATOM 0 HA ASP A 123 3.446 -14.094 9.377 1.00 0.00 H new ATOM 0 HB2 ASP A 123 0.882 -14.570 10.180 1.00 0.00 H new ATOM 0 HB3 ASP A 123 0.985 -15.752 8.891 1.00 0.00 H new ATOM 1802 N ASN A 124 2.326 -14.387 6.371 1.00 0.00 N ATOM 1803 CA ASN A 124 2.589 -14.954 5.044 1.00 0.00 C ATOM 1804 C ASN A 124 3.592 -14.147 4.213 1.00 0.00 C ATOM 1805 O ASN A 124 4.476 -14.739 3.584 1.00 0.00 O ATOM 1806 CB ASN A 124 1.279 -15.102 4.265 1.00 0.00 C ATOM 1807 CG ASN A 124 0.526 -16.372 4.622 1.00 0.00 C ATOM 1808 OD1 ASN A 124 1.070 -17.474 4.543 1.00 0.00 O ATOM 1809 ND2 ASN A 124 -0.733 -16.223 5.011 1.00 0.00 N ATOM 0 H ASN A 124 1.686 -13.593 6.371 1.00 0.00 H new ATOM 0 HA ASN A 124 3.043 -15.929 5.219 1.00 0.00 H new ATOM 0 HB2 ASN A 124 0.643 -14.239 4.464 1.00 0.00 H new ATOM 0 HB3 ASN A 124 1.494 -15.100 3.196 1.00 0.00 H new ATOM 0 HD21 ASN A 124 -1.290 -17.040 5.259 1.00 0.00 H new ATOM 0 HD22 ASN A 124 -1.144 -15.291 5.062 1.00 0.00 H new ATOM 1816 N MET A 125 3.470 -12.809 4.202 1.00 0.00 N ATOM 1817 CA MET A 125 4.365 -11.972 3.395 1.00 0.00 C ATOM 1818 C MET A 125 5.083 -10.896 4.223 1.00 0.00 C ATOM 1819 O MET A 125 5.186 -9.737 3.803 1.00 0.00 O ATOM 1820 CB MET A 125 3.582 -11.338 2.236 1.00 0.00 C ATOM 1821 CG MET A 125 3.275 -12.309 1.105 1.00 0.00 C ATOM 1822 SD MET A 125 2.395 -11.529 -0.262 1.00 0.00 S ATOM 1823 CE MET A 125 2.104 -12.941 -1.326 1.00 0.00 C ATOM 0 H MET A 125 2.770 -12.293 4.735 1.00 0.00 H new ATOM 0 HA MET A 125 5.144 -12.621 2.995 1.00 0.00 H new ATOM 0 HB2 MET A 125 2.646 -10.933 2.620 1.00 0.00 H new ATOM 0 HB3 MET A 125 4.153 -10.499 1.838 1.00 0.00 H new ATOM 0 HG2 MET A 125 4.207 -12.736 0.735 1.00 0.00 H new ATOM 0 HG3 MET A 125 2.678 -13.134 1.492 1.00 0.00 H new ATOM 0 HE1 MET A 125 1.244 -12.743 -1.966 1.00 0.00 H new ATOM 0 HE2 MET A 125 2.984 -13.118 -1.945 1.00 0.00 H new ATOM 0 HE3 MET A 125 1.907 -13.822 -0.715 1.00 0.00 H new ATOM 1833 N ASN A 126 5.597 -11.289 5.398 1.00 0.00 N ATOM 1834 CA ASN A 126 6.338 -10.369 6.281 1.00 0.00 C ATOM 1835 C ASN A 126 7.622 -9.870 5.590 1.00 0.00 C ATOM 1836 O ASN A 126 8.007 -8.709 5.741 1.00 0.00 O ATOM 1837 CB ASN A 126 6.684 -11.073 7.601 1.00 0.00 C ATOM 1838 CG ASN A 126 6.984 -10.107 8.736 1.00 0.00 C ATOM 1839 OD1 ASN A 126 6.077 -9.502 9.306 1.00 0.00 O ATOM 1840 ND2 ASN A 126 8.261 -9.960 9.066 1.00 0.00 N ATOM 0 H ASN A 126 5.514 -12.239 5.761 1.00 0.00 H new ATOM 0 HA ASN A 126 5.706 -9.507 6.494 1.00 0.00 H new ATOM 0 HB2 ASN A 126 5.853 -11.716 7.891 1.00 0.00 H new ATOM 0 HB3 ASN A 126 7.548 -11.719 7.445 1.00 0.00 H new ATOM 0 HD21 ASN A 126 8.523 -9.325 9.820 1.00 0.00 H new ATOM 0 HD22 ASN A 126 8.980 -10.482 8.566 1.00 0.00 H new ATOM 1847 N GLU A 127 8.269 -10.778 4.842 1.00 0.00 N ATOM 1848 CA GLU A 127 9.494 -10.477 4.092 1.00 0.00 C ATOM 1849 C GLU A 127 9.482 -11.225 2.758 1.00 0.00 C ATOM 1850 O GLU A 127 10.138 -12.263 2.588 1.00 0.00 O ATOM 1851 CB GLU A 127 10.747 -10.829 4.911 1.00 0.00 C ATOM 1852 CG GLU A 127 11.010 -9.865 6.053 1.00 0.00 C ATOM 1853 CD GLU A 127 12.188 -10.281 6.912 1.00 0.00 C ATOM 1854 OE1 GLU A 127 12.030 -11.221 7.720 1.00 0.00 O ATOM 1855 OE2 GLU A 127 13.268 -9.670 6.776 1.00 0.00 O ATOM 0 H GLU A 127 7.955 -11.743 4.742 1.00 0.00 H new ATOM 0 HA GLU A 127 9.526 -9.406 3.893 1.00 0.00 H new ATOM 0 HB2 GLU A 127 10.638 -11.836 5.313 1.00 0.00 H new ATOM 0 HB3 GLU A 127 11.613 -10.842 4.249 1.00 0.00 H new ATOM 0 HG2 GLU A 127 11.195 -8.870 5.648 1.00 0.00 H new ATOM 0 HG3 GLU A 127 10.118 -9.795 6.676 1.00 0.00 H new ATOM 1862 N SER A 128 8.709 -10.683 1.821 1.00 0.00 N ATOM 1863 CA SER A 128 8.561 -11.264 0.483 1.00 0.00 C ATOM 1864 C SER A 128 8.942 -10.257 -0.606 1.00 0.00 C ATOM 1865 O SER A 128 9.073 -9.063 -0.333 1.00 0.00 O ATOM 1866 CB SER A 128 7.120 -11.755 0.284 1.00 0.00 C ATOM 1867 OG SER A 128 6.188 -10.695 0.418 1.00 0.00 O ATOM 0 H SER A 128 8.167 -9.831 1.964 1.00 0.00 H new ATOM 0 HA SER A 128 9.241 -12.112 0.400 1.00 0.00 H new ATOM 0 HB2 SER A 128 7.021 -12.206 -0.704 1.00 0.00 H new ATOM 0 HB3 SER A 128 6.895 -12.533 1.013 1.00 0.00 H new ATOM 0 HG SER A 128 5.345 -10.944 -0.015 1.00 0.00 H new ATOM 1873 N GLU A 129 9.146 -10.755 -1.835 1.00 0.00 N ATOM 1874 CA GLU A 129 9.508 -9.906 -2.966 1.00 0.00 C ATOM 1875 C GLU A 129 8.252 -9.446 -3.721 1.00 0.00 C ATOM 1876 O GLU A 129 7.477 -10.268 -4.220 1.00 0.00 O ATOM 1877 CB GLU A 129 10.451 -10.671 -3.901 1.00 0.00 C ATOM 1878 CG GLU A 129 11.312 -9.778 -4.781 1.00 0.00 C ATOM 1879 CD GLU A 129 12.124 -10.556 -5.801 1.00 0.00 C ATOM 1880 OE1 GLU A 129 11.515 -11.231 -6.660 1.00 0.00 O ATOM 1881 OE2 GLU A 129 13.370 -10.489 -5.742 1.00 0.00 O ATOM 0 H GLU A 129 9.065 -11.745 -2.065 1.00 0.00 H new ATOM 0 HA GLU A 129 10.020 -9.018 -2.595 1.00 0.00 H new ATOM 0 HB2 GLU A 129 11.101 -11.308 -3.302 1.00 0.00 H new ATOM 0 HB3 GLU A 129 9.859 -11.329 -4.538 1.00 0.00 H new ATOM 0 HG2 GLU A 129 10.673 -9.065 -5.301 1.00 0.00 H new ATOM 0 HG3 GLU A 129 11.988 -9.200 -4.151 1.00 0.00 H new ATOM 1888 N LEU A 130 8.072 -8.125 -3.784 1.00 0.00 N ATOM 1889 CA LEU A 130 6.935 -7.515 -4.472 1.00 0.00 C ATOM 1890 C LEU A 130 7.428 -6.501 -5.504 1.00 0.00 C ATOM 1891 O LEU A 130 8.239 -5.626 -5.188 1.00 0.00 O ATOM 1892 CB LEU A 130 5.997 -6.844 -3.454 1.00 0.00 C ATOM 1893 CG LEU A 130 4.612 -6.429 -3.982 1.00 0.00 C ATOM 1894 CD1 LEU A 130 3.624 -7.586 -3.884 1.00 0.00 C ATOM 1895 CD2 LEU A 130 4.095 -5.220 -3.220 1.00 0.00 C ATOM 0 H LEU A 130 8.709 -7.451 -3.360 1.00 0.00 H new ATOM 0 HA LEU A 130 6.376 -8.293 -4.993 1.00 0.00 H new ATOM 0 HB2 LEU A 130 5.855 -7.527 -2.616 1.00 0.00 H new ATOM 0 HB3 LEU A 130 6.495 -5.957 -3.061 1.00 0.00 H new ATOM 0 HG LEU A 130 4.714 -6.159 -5.033 1.00 0.00 H new ATOM 0 HD11 LEU A 130 2.653 -7.268 -4.263 1.00 0.00 H new ATOM 0 HD12 LEU A 130 3.987 -8.426 -4.476 1.00 0.00 H new ATOM 0 HD13 LEU A 130 3.525 -7.892 -2.843 1.00 0.00 H new ATOM 0 HD21 LEU A 130 3.115 -4.939 -3.605 1.00 0.00 H new ATOM 0 HD22 LEU A 130 4.012 -5.465 -2.161 1.00 0.00 H new ATOM 0 HD23 LEU A 130 4.787 -4.387 -3.346 1.00 0.00 H new ATOM 1907 N PHE A 131 6.925 -6.634 -6.746 1.00 0.00 N ATOM 1908 CA PHE A 131 7.288 -5.754 -7.885 1.00 0.00 C ATOM 1909 C PHE A 131 8.810 -5.726 -8.160 1.00 0.00 C ATOM 1910 O PHE A 131 9.320 -4.800 -8.806 1.00 0.00 O ATOM 1911 CB PHE A 131 6.735 -4.321 -7.694 1.00 0.00 C ATOM 1912 CG PHE A 131 6.169 -3.731 -8.959 1.00 0.00 C ATOM 1913 CD1 PHE A 131 7.003 -3.197 -9.931 1.00 0.00 C ATOM 1914 CD2 PHE A 131 4.801 -3.718 -9.177 1.00 0.00 C ATOM 1915 CE1 PHE A 131 6.482 -2.663 -11.093 1.00 0.00 C ATOM 1916 CE2 PHE A 131 4.275 -3.182 -10.338 1.00 0.00 C ATOM 1917 CZ PHE A 131 5.117 -2.655 -11.297 1.00 0.00 C ATOM 0 H PHE A 131 6.251 -7.358 -6.994 1.00 0.00 H new ATOM 0 HA PHE A 131 6.816 -6.188 -8.766 1.00 0.00 H new ATOM 0 HB2 PHE A 131 5.959 -4.337 -6.929 1.00 0.00 H new ATOM 0 HB3 PHE A 131 7.533 -3.676 -7.325 1.00 0.00 H new ATOM 0 HD1 PHE A 131 8.072 -3.199 -9.777 1.00 0.00 H new ATOM 0 HD2 PHE A 131 4.138 -4.131 -8.432 1.00 0.00 H new ATOM 0 HE1 PHE A 131 7.142 -2.252 -11.842 1.00 0.00 H new ATOM 0 HE2 PHE A 131 3.206 -3.176 -10.495 1.00 0.00 H new ATOM 0 HZ PHE A 131 4.708 -2.237 -12.205 1.00 0.00 H new ATOM 1927 N GLY A 132 9.521 -6.757 -7.675 1.00 0.00 N ATOM 1928 CA GLY A 132 10.964 -6.854 -7.880 1.00 0.00 C ATOM 1929 C GLY A 132 11.789 -6.334 -6.709 1.00 0.00 C ATOM 1930 O GLY A 132 13.021 -6.297 -6.792 1.00 0.00 O ATOM 0 H GLY A 132 9.117 -7.528 -7.142 1.00 0.00 H new ATOM 0 HA2 GLY A 132 11.226 -7.896 -8.062 1.00 0.00 H new ATOM 0 HA3 GLY A 132 11.232 -6.296 -8.777 1.00 0.00 H new ATOM 1934 N ARG A 133 11.115 -5.935 -5.625 1.00 0.00 N ATOM 1935 CA ARG A 133 11.790 -5.415 -4.431 1.00 0.00 C ATOM 1936 C ARG A 133 11.340 -6.169 -3.184 1.00 0.00 C ATOM 1937 O ARG A 133 10.225 -6.692 -3.140 1.00 0.00 O ATOM 1938 CB ARG A 133 11.499 -3.920 -4.250 1.00 0.00 C ATOM 1939 CG ARG A 133 12.090 -3.028 -5.334 1.00 0.00 C ATOM 1940 CD ARG A 133 11.809 -1.559 -5.056 1.00 0.00 C ATOM 1941 NE ARG A 133 12.695 -1.009 -4.021 1.00 0.00 N ATOM 1942 CZ ARG A 133 12.966 0.294 -3.861 1.00 0.00 C ATOM 1943 NH1 ARG A 133 12.425 1.214 -4.659 1.00 0.00 N ATOM 1944 NH2 ARG A 133 13.786 0.679 -2.892 1.00 0.00 N ATOM 0 H ARG A 133 10.098 -5.963 -5.550 1.00 0.00 H new ATOM 0 HA ARG A 133 12.862 -5.558 -4.569 1.00 0.00 H new ATOM 0 HB2 ARG A 133 10.419 -3.773 -4.224 1.00 0.00 H new ATOM 0 HB3 ARG A 133 11.887 -3.601 -3.283 1.00 0.00 H new ATOM 0 HG2 ARG A 133 13.166 -3.189 -5.394 1.00 0.00 H new ATOM 0 HG3 ARG A 133 11.672 -3.303 -6.302 1.00 0.00 H new ATOM 0 HD2 ARG A 133 11.930 -0.988 -5.976 1.00 0.00 H new ATOM 0 HD3 ARG A 133 10.772 -1.443 -4.743 1.00 0.00 H new ATOM 0 HE ARG A 133 13.136 -1.666 -3.378 1.00 0.00 H new ATOM 0 HH11 ARG A 133 11.792 0.931 -5.408 1.00 0.00 H new ATOM 0 HH12 ARG A 133 12.644 2.201 -4.521 1.00 0.00 H new ATOM 0 HH21 ARG A 133 14.206 -0.015 -2.274 1.00 0.00 H new ATOM 0 HH22 ARG A 133 13.996 1.669 -2.765 1.00 0.00 H new ATOM 1958 N THR A 134 12.212 -6.214 -2.166 1.00 0.00 N ATOM 1959 CA THR A 134 11.900 -6.889 -0.898 1.00 0.00 C ATOM 1960 C THR A 134 10.999 -5.991 -0.044 1.00 0.00 C ATOM 1961 O THR A 134 11.283 -4.801 0.119 1.00 0.00 O ATOM 1962 CB THR A 134 13.183 -7.244 -0.104 1.00 0.00 C ATOM 1963 OG1 THR A 134 14.250 -7.568 -1.006 1.00 0.00 O ATOM 1964 CG2 THR A 134 12.948 -8.427 0.833 1.00 0.00 C ATOM 0 H THR A 134 13.139 -5.791 -2.196 1.00 0.00 H new ATOM 0 HA THR A 134 11.385 -7.820 -1.134 1.00 0.00 H new ATOM 0 HB THR A 134 13.452 -6.372 0.492 1.00 0.00 H new ATOM 0 HG1 THR A 134 15.056 -7.789 -0.494 1.00 0.00 H new ATOM 0 HG21 THR A 134 13.867 -8.650 1.375 1.00 0.00 H new ATOM 0 HG22 THR A 134 12.160 -8.178 1.543 1.00 0.00 H new ATOM 0 HG23 THR A 134 12.649 -9.299 0.251 1.00 0.00 H new ATOM 1972 N ILE A 135 9.922 -6.570 0.493 1.00 0.00 N ATOM 1973 CA ILE A 135 8.969 -5.809 1.308 1.00 0.00 C ATOM 1974 C ILE A 135 8.859 -6.354 2.732 1.00 0.00 C ATOM 1975 O ILE A 135 9.155 -7.524 2.990 1.00 0.00 O ATOM 1976 CB ILE A 135 7.546 -5.741 0.659 1.00 0.00 C ATOM 1977 CG1 ILE A 135 6.954 -7.146 0.410 1.00 0.00 C ATOM 1978 CG2 ILE A 135 7.588 -4.942 -0.642 1.00 0.00 C ATOM 1979 CD1 ILE A 135 5.505 -7.285 0.834 1.00 0.00 C ATOM 0 H ILE A 135 9.688 -7.556 0.380 1.00 0.00 H new ATOM 0 HA ILE A 135 9.372 -4.797 1.355 1.00 0.00 H new ATOM 0 HB ILE A 135 6.891 -5.233 1.367 1.00 0.00 H new ATOM 0 HG12 ILE A 135 7.036 -7.382 -0.651 1.00 0.00 H new ATOM 0 HG13 ILE A 135 7.552 -7.882 0.947 1.00 0.00 H new ATOM 0 HG21 ILE A 135 6.590 -4.905 -1.079 1.00 0.00 H new ATOM 0 HG22 ILE A 135 7.931 -3.928 -0.435 1.00 0.00 H new ATOM 0 HG23 ILE A 135 8.273 -5.421 -1.341 1.00 0.00 H new ATOM 0 HD11 ILE A 135 5.161 -8.299 0.628 1.00 0.00 H new ATOM 0 HD12 ILE A 135 5.417 -7.082 1.901 1.00 0.00 H new ATOM 0 HD13 ILE A 135 4.893 -6.574 0.278 1.00 0.00 H new ATOM 1991 N ARG A 136 8.428 -5.476 3.641 1.00 0.00 N ATOM 1992 CA ARG A 136 8.239 -5.819 5.048 1.00 0.00 C ATOM 1993 C ARG A 136 6.851 -5.385 5.509 1.00 0.00 C ATOM 1994 O ARG A 136 6.414 -4.276 5.185 1.00 0.00 O ATOM 1995 CB ARG A 136 9.332 -5.183 5.921 1.00 0.00 C ATOM 1996 CG ARG A 136 9.436 -3.663 5.828 1.00 0.00 C ATOM 1997 CD ARG A 136 10.779 -3.198 6.333 1.00 0.00 C ATOM 1998 NE ARG A 136 10.962 -1.751 6.181 1.00 0.00 N ATOM 1999 CZ ARG A 136 11.865 -1.174 5.375 1.00 0.00 C ATOM 2000 NH1 ARG A 136 12.689 -1.905 4.626 1.00 0.00 N ATOM 2001 NH2 ARG A 136 11.942 0.149 5.320 1.00 0.00 N ATOM 0 H ARG A 136 8.201 -4.507 3.419 1.00 0.00 H new ATOM 0 HA ARG A 136 8.319 -6.901 5.156 1.00 0.00 H new ATOM 0 HB2 ARG A 136 9.149 -5.456 6.960 1.00 0.00 H new ATOM 0 HB3 ARG A 136 10.294 -5.615 5.643 1.00 0.00 H new ATOM 0 HG2 ARG A 136 9.299 -3.345 4.795 1.00 0.00 H new ATOM 0 HG3 ARG A 136 8.640 -3.201 6.412 1.00 0.00 H new ATOM 0 HD2 ARG A 136 10.882 -3.466 7.385 1.00 0.00 H new ATOM 0 HD3 ARG A 136 11.568 -3.720 5.792 1.00 0.00 H new ATOM 0 HE ARG A 136 10.358 -1.138 6.729 1.00 0.00 H new ATOM 0 HH11 ARG A 136 12.640 -2.923 4.659 1.00 0.00 H new ATOM 0 HH12 ARG A 136 13.369 -1.446 4.019 1.00 0.00 H new ATOM 0 HH21 ARG A 136 11.317 0.720 5.888 1.00 0.00 H new ATOM 0 HH22 ARG A 136 12.626 0.595 4.709 1.00 0.00 H new ATOM 2015 N VAL A 137 6.162 -6.251 6.258 1.00 0.00 N ATOM 2016 CA VAL A 137 4.822 -5.920 6.745 1.00 0.00 C ATOM 2017 C VAL A 137 4.729 -6.112 8.263 1.00 0.00 C ATOM 2018 O VAL A 137 5.293 -7.060 8.815 1.00 0.00 O ATOM 2019 CB VAL A 137 3.680 -6.703 5.998 1.00 0.00 C ATOM 2020 CG1 VAL A 137 4.043 -7.027 4.553 1.00 0.00 C ATOM 2021 CG2 VAL A 137 3.267 -7.972 6.717 1.00 0.00 C ATOM 0 H VAL A 137 6.503 -7.171 6.536 1.00 0.00 H new ATOM 0 HA VAL A 137 4.662 -4.866 6.518 1.00 0.00 H new ATOM 0 HB VAL A 137 2.828 -6.023 5.996 1.00 0.00 H new ATOM 0 HG11 VAL A 137 3.221 -7.567 4.084 1.00 0.00 H new ATOM 0 HG12 VAL A 137 4.227 -6.101 4.008 1.00 0.00 H new ATOM 0 HG13 VAL A 137 4.941 -7.644 4.533 1.00 0.00 H new ATOM 0 HG21 VAL A 137 2.476 -8.468 6.154 1.00 0.00 H new ATOM 0 HG22 VAL A 137 4.126 -8.638 6.801 1.00 0.00 H new ATOM 0 HG23 VAL A 137 2.902 -7.723 7.713 1.00 0.00 H new ATOM 2031 N ASN A 138 4.017 -5.188 8.918 1.00 0.00 N ATOM 2032 CA ASN A 138 3.825 -5.205 10.371 1.00 0.00 C ATOM 2033 C ASN A 138 2.486 -4.556 10.752 1.00 0.00 C ATOM 2034 O ASN A 138 1.810 -3.974 9.900 1.00 0.00 O ATOM 2035 CB ASN A 138 5.001 -4.499 11.088 1.00 0.00 C ATOM 2036 CG ASN A 138 5.276 -3.081 10.592 1.00 0.00 C ATOM 2037 OD1 ASN A 138 5.406 -2.844 9.391 1.00 0.00 O ATOM 2038 ND2 ASN A 138 5.364 -2.138 11.521 1.00 0.00 N ATOM 0 H ASN A 138 3.557 -4.405 8.453 1.00 0.00 H new ATOM 0 HA ASN A 138 3.803 -6.245 10.698 1.00 0.00 H new ATOM 0 HB2 ASN A 138 4.791 -4.464 12.157 1.00 0.00 H new ATOM 0 HB3 ASN A 138 5.902 -5.098 10.959 1.00 0.00 H new ATOM 0 HD21 ASN A 138 5.546 -1.171 11.251 1.00 0.00 H new ATOM 0 HD22 ASN A 138 5.250 -2.380 12.505 1.00 0.00 H new ATOM 2045 N LEU A 139 2.112 -4.664 12.037 1.00 0.00 N ATOM 2046 CA LEU A 139 0.861 -4.081 12.549 1.00 0.00 C ATOM 2047 C LEU A 139 0.930 -2.551 12.564 1.00 0.00 C ATOM 2048 O LEU A 139 1.919 -1.972 13.022 1.00 0.00 O ATOM 2049 CB LEU A 139 0.579 -4.590 13.966 1.00 0.00 C ATOM 2050 CG LEU A 139 0.293 -6.090 14.083 1.00 0.00 C ATOM 2051 CD1 LEU A 139 0.872 -6.642 15.374 1.00 0.00 C ATOM 2052 CD2 LEU A 139 -1.204 -6.355 14.023 1.00 0.00 C ATOM 0 H LEU A 139 2.662 -5.153 12.744 1.00 0.00 H new ATOM 0 HA LEU A 139 0.055 -4.388 11.883 1.00 0.00 H new ATOM 0 HB2 LEU A 139 1.436 -4.351 14.596 1.00 0.00 H new ATOM 0 HB3 LEU A 139 -0.274 -4.043 14.367 1.00 0.00 H new ATOM 0 HG LEU A 139 0.769 -6.596 13.243 1.00 0.00 H new ATOM 0 HD11 LEU A 139 0.660 -7.709 15.441 1.00 0.00 H new ATOM 0 HD12 LEU A 139 1.951 -6.485 15.385 1.00 0.00 H new ATOM 0 HD13 LEU A 139 0.422 -6.128 16.224 1.00 0.00 H new ATOM 0 HD21 LEU A 139 -1.388 -7.426 14.108 1.00 0.00 H new ATOM 0 HD22 LEU A 139 -1.699 -5.836 14.844 1.00 0.00 H new ATOM 0 HD23 LEU A 139 -1.600 -5.993 13.074 1.00 0.00 H new ATOM 2064 N ALA A 140 -0.131 -1.915 12.059 1.00 0.00 N ATOM 2065 CA ALA A 140 -0.212 -0.457 11.993 1.00 0.00 C ATOM 2066 C ALA A 140 -1.214 0.084 13.009 1.00 0.00 C ATOM 2067 CB ALA A 140 -0.589 -0.014 10.587 1.00 0.00 C ATOM 0 H ALA A 140 -0.951 -2.394 11.687 1.00 0.00 H new ATOM 0 HA ALA A 140 0.769 -0.051 12.239 1.00 0.00 H new ATOM 0 HB1 ALA A 140 -0.646 1.074 10.551 1.00 0.00 H new ATOM 0 HB2 ALA A 140 0.166 -0.361 9.881 1.00 0.00 H new ATOM 0 HB3 ALA A 140 -1.557 -0.437 10.320 1.00 0.00 H new