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 Set 1.1: A 125 MET CE :methyl 146:sc= -0.654 (180deg=-3.08!) USER MOD Set 1.2: A 128 SER OG : rot -70:sc= -0.0246 USER MOD Single : A 67 TYR OH : rot -28:sc= 0.193 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 HIS : no HD1:sc= -2.52! C(o=-2.5!,f=-5.1!) USER MOD Single : A 91 THR OG1 : rot 170:sc= 0.819 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= -0.868 USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 HIS : no HD1:sc= -3.71! C(o=-3.7!,f=-7.1!) USER MOD Single : A 124 ASN : amide:sc= 0 X(o=0,f=-0.0042) USER MOD Single : A 126 ASN : amide:sc=-0.00291 X(o=-0.0029,f=-0.2) USER MOD Single : A 134 THR OG1 : rot 180:sc= 0 USER MOD Single : A 138 ASN : amide:sc= -0.0325 X(o=-0.032,f=-0.032) USER MOD ----------------------------------------------------------------- ATOM 882 N ARG A 64 -6.570 -3.802 12.155 1.00 0.00 N ATOM 883 CA ARG A 64 -6.713 -4.471 10.854 1.00 0.00 C ATOM 884 C ARG A 64 -5.845 -3.800 9.773 1.00 0.00 C ATOM 885 O ARG A 64 -5.860 -4.219 8.610 1.00 0.00 O ATOM 886 CB ARG A 64 -8.186 -4.474 10.418 1.00 0.00 C ATOM 887 CG ARG A 64 -9.118 -5.237 11.355 1.00 0.00 C ATOM 888 CD ARG A 64 -10.541 -5.313 10.815 1.00 0.00 C ATOM 889 NE ARG A 64 -11.183 -3.992 10.718 1.00 0.00 N ATOM 890 CZ ARG A 64 -12.481 -3.754 10.957 1.00 0.00 C ATOM 891 NH1 ARG A 64 -13.308 -4.736 11.313 1.00 0.00 N ATOM 892 NH2 ARG A 64 -12.953 -2.522 10.837 1.00 0.00 N ATOM 0 HA ARG A 64 -6.368 -5.499 10.970 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -8.532 -3.443 10.341 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -8.257 -4.909 9.421 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -8.734 -6.246 11.505 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -9.127 -4.751 12.331 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -10.527 -5.779 9.830 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -11.137 -5.956 11.463 1.00 0.00 H new ATOM 0 HE ARG A 64 -10.598 -3.200 10.450 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -12.957 -5.689 11.408 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -14.292 -4.535 11.490 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -12.330 -1.762 10.564 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -13.939 -2.334 11.017 1.00 0.00 H new ATOM 906 N VAL A 65 -5.080 -2.772 10.172 1.00 0.00 N ATOM 907 CA VAL A 65 -4.205 -2.034 9.247 1.00 0.00 C ATOM 908 C VAL A 65 -2.762 -2.532 9.378 1.00 0.00 C ATOM 909 O VAL A 65 -2.265 -2.721 10.491 1.00 0.00 O ATOM 910 CB VAL A 65 -4.259 -0.497 9.500 1.00 0.00 C ATOM 911 CG1 VAL A 65 -3.416 0.268 8.480 1.00 0.00 C ATOM 912 CG2 VAL A 65 -5.699 0.014 9.468 1.00 0.00 C ATOM 0 H VAL A 65 -5.050 -2.432 11.133 1.00 0.00 H new ATOM 0 HA VAL A 65 -4.566 -2.218 8.235 1.00 0.00 H new ATOM 0 HB VAL A 65 -3.844 -0.321 10.492 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -3.477 1.337 8.686 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -2.378 -0.057 8.549 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -3.792 0.070 7.476 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -5.708 1.089 9.647 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -6.138 -0.195 8.492 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -6.280 -0.488 10.242 1.00 0.00 H new ATOM 922 N LEU A 66 -2.113 -2.747 8.229 1.00 0.00 N ATOM 923 CA LEU A 66 -0.729 -3.234 8.191 1.00 0.00 C ATOM 924 C LEU A 66 0.161 -2.285 7.391 1.00 0.00 C ATOM 925 O LEU A 66 -0.312 -1.603 6.476 1.00 0.00 O ATOM 926 CB LEU A 66 -0.643 -4.655 7.586 1.00 0.00 C ATOM 927 CG LEU A 66 -1.933 -5.497 7.588 1.00 0.00 C ATOM 928 CD1 LEU A 66 -1.802 -6.650 6.609 1.00 0.00 C ATOM 929 CD2 LEU A 66 -2.253 -6.020 8.984 1.00 0.00 C ATOM 0 H LEU A 66 -2.525 -2.591 7.309 1.00 0.00 H new ATOM 0 HA LEU A 66 -0.376 -3.274 9.221 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -0.300 -4.564 6.555 1.00 0.00 H new ATOM 0 HB3 LEU A 66 0.123 -5.208 8.129 1.00 0.00 H new ATOM 0 HG LEU A 66 -2.757 -4.855 7.277 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -2.718 -7.240 6.617 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -1.631 -6.258 5.606 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -0.962 -7.281 6.900 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -3.169 -6.610 8.950 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -1.432 -6.645 9.336 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -2.387 -5.180 9.665 1.00 0.00 H new ATOM 941 N TYR A 67 1.449 -2.249 7.748 1.00 0.00 N ATOM 942 CA TYR A 67 2.435 -1.420 7.054 1.00 0.00 C ATOM 943 C TYR A 67 3.130 -2.262 5.987 1.00 0.00 C ATOM 944 O TYR A 67 3.603 -3.358 6.277 1.00 0.00 O ATOM 945 CB TYR A 67 3.469 -0.853 8.053 1.00 0.00 C ATOM 946 CG TYR A 67 4.570 -0.006 7.422 1.00 0.00 C ATOM 947 CD1 TYR A 67 4.422 1.366 7.258 1.00 0.00 C ATOM 948 CD2 TYR A 67 5.759 -0.591 6.988 1.00 0.00 C ATOM 949 CE1 TYR A 67 5.422 2.129 6.682 1.00 0.00 C ATOM 950 CE2 TYR A 67 6.763 0.164 6.409 1.00 0.00 C ATOM 951 CZ TYR A 67 6.589 1.523 6.259 1.00 0.00 C ATOM 952 OH TYR A 67 7.583 2.281 5.684 1.00 0.00 O ATOM 0 H TYR A 67 1.834 -2.791 8.522 1.00 0.00 H new ATOM 0 HA TYR A 67 1.930 -0.578 6.581 1.00 0.00 H new ATOM 0 HB2 TYR A 67 2.945 -0.249 8.793 1.00 0.00 H new ATOM 0 HB3 TYR A 67 3.930 -1.683 8.588 1.00 0.00 H new ATOM 0 HD1 TYR A 67 3.511 1.845 7.586 1.00 0.00 H new ATOM 0 HD2 TYR A 67 5.899 -1.655 7.106 1.00 0.00 H new ATOM 0 HE1 TYR A 67 5.291 3.194 6.564 1.00 0.00 H new ATOM 0 HE2 TYR A 67 7.676 -0.308 6.077 1.00 0.00 H new ATOM 0 HH TYR A 67 7.187 3.064 5.249 1.00 0.00 H new ATOM 962 N VAL A 68 3.180 -1.742 4.764 1.00 0.00 N ATOM 963 CA VAL A 68 3.831 -2.440 3.655 1.00 0.00 C ATOM 964 C VAL A 68 4.870 -1.533 2.998 1.00 0.00 C ATOM 965 O VAL A 68 4.534 -0.445 2.520 1.00 0.00 O ATOM 966 CB VAL A 68 2.812 -2.964 2.596 1.00 0.00 C ATOM 967 CG1 VAL A 68 2.086 -4.195 3.121 1.00 0.00 C ATOM 968 CG2 VAL A 68 1.796 -1.898 2.186 1.00 0.00 C ATOM 0 H VAL A 68 2.778 -0.839 4.514 1.00 0.00 H new ATOM 0 HA VAL A 68 4.329 -3.315 4.073 1.00 0.00 H new ATOM 0 HB VAL A 68 3.386 -3.228 1.708 1.00 0.00 H new ATOM 0 HG11 VAL A 68 1.379 -4.548 2.370 1.00 0.00 H new ATOM 0 HG12 VAL A 68 2.810 -4.981 3.335 1.00 0.00 H new ATOM 0 HG13 VAL A 68 1.548 -3.939 4.034 1.00 0.00 H new ATOM 0 HG21 VAL A 68 1.110 -2.314 1.448 1.00 0.00 H new ATOM 0 HG22 VAL A 68 1.234 -1.575 3.062 1.00 0.00 H new ATOM 0 HG23 VAL A 68 2.319 -1.044 1.755 1.00 0.00 H new ATOM 978 N GLY A 69 6.123 -1.993 2.981 1.00 0.00 N ATOM 979 CA GLY A 69 7.202 -1.212 2.397 1.00 0.00 C ATOM 980 C GLY A 69 8.087 -2.023 1.480 1.00 0.00 C ATOM 981 O GLY A 69 8.214 -3.238 1.644 1.00 0.00 O ATOM 0 H GLY A 69 6.408 -2.895 3.363 1.00 0.00 H new ATOM 0 HA2 GLY A 69 6.778 -0.377 1.839 1.00 0.00 H new ATOM 0 HA3 GLY A 69 7.809 -0.786 3.196 1.00 0.00 H new ATOM 985 N GLY A 70 8.699 -1.332 0.517 1.00 0.00 N ATOM 986 CA GLY A 70 9.585 -1.977 -0.440 1.00 0.00 C ATOM 987 C GLY A 70 8.961 -2.097 -1.817 1.00 0.00 C ATOM 988 O GLY A 70 9.412 -2.902 -2.636 1.00 0.00 O ATOM 0 H GLY A 70 8.594 -0.326 0.383 1.00 0.00 H new ATOM 0 HA2 GLY A 70 10.512 -1.409 -0.513 1.00 0.00 H new ATOM 0 HA3 GLY A 70 9.848 -2.970 -0.075 1.00 0.00 H new ATOM 992 N LEU A 71 7.920 -1.289 -2.068 1.00 0.00 N ATOM 993 CA LEU A 71 7.212 -1.294 -3.352 1.00 0.00 C ATOM 994 C LEU A 71 7.880 -0.339 -4.340 1.00 0.00 C ATOM 995 O LEU A 71 8.643 0.550 -3.944 1.00 0.00 O ATOM 996 CB LEU A 71 5.725 -0.909 -3.197 1.00 0.00 C ATOM 997 CG LEU A 71 5.029 -1.318 -1.892 1.00 0.00 C ATOM 998 CD1 LEU A 71 5.193 -0.236 -0.847 1.00 0.00 C ATOM 999 CD2 LEU A 71 3.556 -1.583 -2.143 1.00 0.00 C ATOM 0 H LEU A 71 7.550 -0.621 -1.392 1.00 0.00 H new ATOM 0 HA LEU A 71 7.262 -2.313 -3.735 1.00 0.00 H new ATOM 0 HB2 LEU A 71 5.643 0.173 -3.299 1.00 0.00 H new ATOM 0 HB3 LEU A 71 5.173 -1.350 -4.027 1.00 0.00 H new ATOM 0 HG LEU A 71 5.492 -2.233 -1.523 1.00 0.00 H new ATOM 0 HD11 LEU A 71 4.694 -0.540 0.073 1.00 0.00 H new ATOM 0 HD12 LEU A 71 6.253 -0.078 -0.650 1.00 0.00 H new ATOM 0 HD13 LEU A 71 4.750 0.691 -1.211 1.00 0.00 H new ATOM 0 HD21 LEU A 71 3.074 -1.872 -1.209 1.00 0.00 H new ATOM 0 HD22 LEU A 71 3.085 -0.680 -2.530 1.00 0.00 H new ATOM 0 HD23 LEU A 71 3.450 -2.388 -2.870 1.00 0.00 H new ATOM 1011 N ALA A 72 7.580 -0.537 -5.623 1.00 0.00 N ATOM 1012 CA ALA A 72 8.132 0.283 -6.701 1.00 0.00 C ATOM 1013 C ALA A 72 7.246 1.498 -6.982 1.00 0.00 C ATOM 1014 O ALA A 72 6.061 1.502 -6.646 1.00 0.00 O ATOM 1015 CB ALA A 72 8.305 -0.558 -7.961 1.00 0.00 C ATOM 0 H ALA A 72 6.948 -1.270 -5.944 1.00 0.00 H new ATOM 0 HA ALA A 72 9.108 0.651 -6.385 1.00 0.00 H new ATOM 0 HB1 ALA A 72 8.717 0.061 -8.758 1.00 0.00 H new ATOM 0 HB2 ALA A 72 8.985 -1.385 -7.756 1.00 0.00 H new ATOM 0 HB3 ALA A 72 7.337 -0.952 -8.271 1.00 0.00 H new ATOM 1021 N GLU A 73 7.838 2.532 -7.595 1.00 0.00 N ATOM 1022 CA GLU A 73 7.119 3.775 -7.940 1.00 0.00 C ATOM 1023 C GLU A 73 6.017 3.522 -8.967 1.00 0.00 C ATOM 1024 O GLU A 73 5.018 4.246 -9.012 1.00 0.00 O ATOM 1025 CB GLU A 73 8.099 4.817 -8.472 1.00 0.00 C ATOM 1026 CG GLU A 73 9.091 5.277 -7.425 1.00 0.00 C ATOM 1027 CD GLU A 73 10.197 6.141 -7.996 1.00 0.00 C ATOM 1028 OE1 GLU A 73 11.116 5.587 -8.635 1.00 0.00 O ATOM 1029 OE2 GLU A 73 10.144 7.375 -7.806 1.00 0.00 O ATOM 0 H GLU A 73 8.821 2.535 -7.866 1.00 0.00 H new ATOM 0 HA GLU A 73 6.648 4.150 -7.031 1.00 0.00 H new ATOM 0 HB2 GLU A 73 8.641 4.400 -9.321 1.00 0.00 H new ATOM 0 HB3 GLU A 73 7.542 5.678 -8.841 1.00 0.00 H new ATOM 0 HG2 GLU A 73 8.563 5.836 -6.653 1.00 0.00 H new ATOM 0 HG3 GLU A 73 9.532 4.405 -6.942 1.00 0.00 H new ATOM 1036 N GLU A 74 6.221 2.485 -9.787 1.00 0.00 N ATOM 1037 CA GLU A 74 5.262 2.091 -10.823 1.00 0.00 C ATOM 1038 C GLU A 74 4.058 1.337 -10.233 1.00 0.00 C ATOM 1039 O GLU A 74 3.125 0.987 -10.966 1.00 0.00 O ATOM 1040 CB GLU A 74 5.952 1.226 -11.890 1.00 0.00 C ATOM 1041 CG GLU A 74 6.997 1.968 -12.712 1.00 0.00 C ATOM 1042 CD GLU A 74 7.602 1.107 -13.803 1.00 0.00 C ATOM 1043 OE1 GLU A 74 8.429 0.229 -13.476 1.00 0.00 O ATOM 1044 OE2 GLU A 74 7.250 1.310 -14.983 1.00 0.00 O ATOM 0 H GLU A 74 7.054 1.897 -9.751 1.00 0.00 H new ATOM 0 HA GLU A 74 4.888 3.005 -11.285 1.00 0.00 H new ATOM 0 HB2 GLU A 74 6.427 0.375 -11.401 1.00 0.00 H new ATOM 0 HB3 GLU A 74 5.194 0.825 -12.563 1.00 0.00 H new ATOM 0 HG2 GLU A 74 6.541 2.850 -13.162 1.00 0.00 H new ATOM 0 HG3 GLU A 74 7.789 2.321 -12.052 1.00 0.00 H new ATOM 1051 N VAL A 75 4.072 1.101 -8.903 1.00 0.00 N ATOM 1052 CA VAL A 75 2.963 0.381 -8.243 1.00 0.00 C ATOM 1053 C VAL A 75 1.837 1.352 -7.858 1.00 0.00 C ATOM 1054 O VAL A 75 2.097 2.466 -7.393 1.00 0.00 O ATOM 1055 CB VAL A 75 3.408 -0.474 -6.995 1.00 0.00 C ATOM 1056 CG1 VAL A 75 4.748 -1.164 -7.234 1.00 0.00 C ATOM 1057 CG2 VAL A 75 3.451 0.334 -5.695 1.00 0.00 C ATOM 0 H VAL A 75 4.823 1.392 -8.277 1.00 0.00 H new ATOM 0 HA VAL A 75 2.593 -0.333 -8.979 1.00 0.00 H new ATOM 0 HB VAL A 75 2.638 -1.236 -6.873 1.00 0.00 H new ATOM 0 HG11 VAL A 75 5.021 -1.743 -6.352 1.00 0.00 H new ATOM 0 HG12 VAL A 75 4.667 -1.829 -8.094 1.00 0.00 H new ATOM 0 HG13 VAL A 75 5.515 -0.413 -7.427 1.00 0.00 H new ATOM 0 HG21 VAL A 75 3.764 -0.312 -4.875 1.00 0.00 H new ATOM 0 HG22 VAL A 75 4.160 1.156 -5.801 1.00 0.00 H new ATOM 0 HG23 VAL A 75 2.460 0.735 -5.483 1.00 0.00 H new ATOM 1067 N ASP A 76 0.596 0.913 -8.072 1.00 0.00 N ATOM 1068 CA ASP A 76 -0.586 1.720 -7.759 1.00 0.00 C ATOM 1069 C ASP A 76 -1.445 1.028 -6.695 1.00 0.00 C ATOM 1070 O ASP A 76 -1.114 -0.075 -6.246 1.00 0.00 O ATOM 1071 CB ASP A 76 -1.407 1.984 -9.037 1.00 0.00 C ATOM 1072 CG ASP A 76 -0.672 2.840 -10.059 1.00 0.00 C ATOM 1073 OD1 ASP A 76 0.005 3.812 -9.656 1.00 0.00 O ATOM 1074 OD2 ASP A 76 -0.775 2.536 -11.266 1.00 0.00 O ATOM 0 H ASP A 76 0.382 -0.004 -8.464 1.00 0.00 H new ATOM 0 HA ASP A 76 -0.256 2.678 -7.357 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -1.671 1.030 -9.494 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -2.341 2.476 -8.765 1.00 0.00 H new ATOM 1079 N ASP A 77 -2.552 1.680 -6.292 1.00 0.00 N ATOM 1080 CA ASP A 77 -3.471 1.132 -5.275 1.00 0.00 C ATOM 1081 C ASP A 77 -4.099 -0.194 -5.737 1.00 0.00 C ATOM 1082 O ASP A 77 -4.442 -1.050 -4.916 1.00 0.00 O ATOM 1083 CB ASP A 77 -4.563 2.161 -4.919 1.00 0.00 C ATOM 1084 CG ASP A 77 -5.400 2.615 -6.111 1.00 0.00 C ATOM 1085 OD1 ASP A 77 -5.014 3.607 -6.763 1.00 0.00 O ATOM 1086 OD2 ASP A 77 -6.436 1.973 -6.386 1.00 0.00 O ATOM 0 H ASP A 77 -2.833 2.590 -6.657 1.00 0.00 H new ATOM 0 HA ASP A 77 -2.887 0.923 -4.378 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -5.224 1.729 -4.168 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -4.092 3.033 -4.466 1.00 0.00 H new ATOM 1091 N LYS A 78 -4.238 -0.335 -7.063 1.00 0.00 N ATOM 1092 CA LYS A 78 -4.811 -1.533 -7.697 1.00 0.00 C ATOM 1093 C LYS A 78 -3.872 -2.727 -7.531 1.00 0.00 C ATOM 1094 O LYS A 78 -4.307 -3.851 -7.270 1.00 0.00 O ATOM 1095 CB LYS A 78 -5.045 -1.270 -9.189 1.00 0.00 C ATOM 1096 CG LYS A 78 -6.027 -0.146 -9.472 1.00 0.00 C ATOM 1097 CD LYS A 78 -6.183 0.082 -10.961 1.00 0.00 C ATOM 1098 CE LYS A 78 -7.039 1.303 -11.245 1.00 0.00 C ATOM 1099 NZ LYS A 78 -6.952 1.724 -12.670 1.00 0.00 N ATOM 0 H LYS A 78 -3.955 0.383 -7.730 1.00 0.00 H new ATOM 0 HA LYS A 78 -5.761 -1.761 -7.213 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -4.091 -1.032 -9.659 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -5.411 -2.185 -9.656 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -6.996 -0.387 -9.035 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -5.681 0.771 -8.995 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -5.201 0.210 -11.416 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -6.635 -0.797 -11.420 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -8.077 1.085 -10.994 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -6.722 2.125 -10.604 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -7.551 2.561 -12.822 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -5.966 1.957 -12.904 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -7.279 0.949 -13.282 1.00 0.00 H new ATOM 1113 N VAL A 79 -2.570 -2.441 -7.691 1.00 0.00 N ATOM 1114 CA VAL A 79 -1.499 -3.422 -7.569 1.00 0.00 C ATOM 1115 C VAL A 79 -1.389 -3.945 -6.126 1.00 0.00 C ATOM 1116 O VAL A 79 -1.281 -5.156 -5.904 1.00 0.00 O ATOM 1117 CB VAL A 79 -0.143 -2.795 -8.003 1.00 0.00 C ATOM 1118 CG1 VAL A 79 0.898 -3.863 -8.225 1.00 0.00 C ATOM 1119 CG2 VAL A 79 -0.283 -1.951 -9.266 1.00 0.00 C ATOM 0 H VAL A 79 -2.235 -1.503 -7.912 1.00 0.00 H new ATOM 0 HA VAL A 79 -1.736 -4.260 -8.224 1.00 0.00 H new ATOM 0 HB VAL A 79 0.176 -2.143 -7.190 1.00 0.00 H new ATOM 0 HG11 VAL A 79 1.837 -3.399 -8.528 1.00 0.00 H new ATOM 0 HG12 VAL A 79 1.050 -4.420 -7.301 1.00 0.00 H new ATOM 0 HG13 VAL A 79 0.561 -4.543 -9.007 1.00 0.00 H new ATOM 0 HG21 VAL A 79 0.687 -1.532 -9.533 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -0.646 -2.575 -10.082 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -0.990 -1.141 -9.086 1.00 0.00 H new ATOM 1129 N LEU A 80 -1.427 -3.016 -5.153 1.00 0.00 N ATOM 1130 CA LEU A 80 -1.332 -3.361 -3.729 1.00 0.00 C ATOM 1131 C LEU A 80 -2.551 -4.174 -3.261 1.00 0.00 C ATOM 1132 O LEU A 80 -2.412 -5.116 -2.475 1.00 0.00 O ATOM 1133 CB LEU A 80 -1.193 -2.087 -2.884 1.00 0.00 C ATOM 1134 CG LEU A 80 -0.418 -2.252 -1.565 1.00 0.00 C ATOM 1135 CD1 LEU A 80 0.247 -0.944 -1.167 1.00 0.00 C ATOM 1136 CD2 LEU A 80 -1.333 -2.740 -0.449 1.00 0.00 C ATOM 0 H LEU A 80 -1.523 -2.017 -5.332 1.00 0.00 H new ATOM 0 HA LEU A 80 -0.446 -3.981 -3.596 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -0.696 -1.325 -3.485 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -2.191 -1.712 -2.655 1.00 0.00 H new ATOM 0 HG LEU A 80 0.356 -3.003 -1.724 1.00 0.00 H new ATOM 0 HD11 LEU A 80 0.790 -1.082 -0.232 1.00 0.00 H new ATOM 0 HD12 LEU A 80 0.942 -0.637 -1.948 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -0.514 -0.175 -1.035 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -0.759 -2.848 0.471 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -2.135 -2.018 -0.294 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -1.761 -3.704 -0.725 1.00 0.00 H new ATOM 1148 N HIS A 81 -3.739 -3.799 -3.763 1.00 0.00 N ATOM 1149 CA HIS A 81 -5.001 -4.470 -3.416 1.00 0.00 C ATOM 1150 C HIS A 81 -5.062 -5.902 -3.984 1.00 0.00 C ATOM 1151 O HIS A 81 -5.383 -6.849 -3.263 1.00 0.00 O ATOM 1152 CB HIS A 81 -6.184 -3.638 -3.936 1.00 0.00 C ATOM 1153 CG HIS A 81 -7.476 -3.881 -3.213 1.00 0.00 C ATOM 1154 ND1 HIS A 81 -8.331 -4.918 -3.522 1.00 0.00 N ATOM 1155 CD2 HIS A 81 -8.061 -3.205 -2.196 1.00 0.00 C ATOM 1156 CE1 HIS A 81 -9.385 -4.869 -2.727 1.00 0.00 C ATOM 1157 NE2 HIS A 81 -9.245 -3.840 -1.913 1.00 0.00 N ATOM 0 H HIS A 81 -3.851 -3.025 -4.418 1.00 0.00 H new ATOM 0 HA HIS A 81 -5.057 -4.549 -2.330 1.00 0.00 H new ATOM 0 HB2 HIS A 81 -5.931 -2.581 -3.858 1.00 0.00 H new ATOM 0 HB3 HIS A 81 -6.328 -3.854 -4.995 1.00 0.00 H new ATOM 0 HD2 HIS A 81 -7.669 -2.329 -1.700 1.00 0.00 H new ATOM 0 HE1 HIS A 81 -10.219 -5.555 -2.741 1.00 0.00 H new ATOM 0 HE2 HIS A 81 -9.909 -3.561 -1.190 1.00 0.00 H new ATOM 1166 N ALA A 82 -4.736 -6.035 -5.278 1.00 0.00 N ATOM 1167 CA ALA A 82 -4.752 -7.326 -5.984 1.00 0.00 C ATOM 1168 C ALA A 82 -3.633 -8.280 -5.540 1.00 0.00 C ATOM 1169 O ALA A 82 -3.734 -9.492 -5.750 1.00 0.00 O ATOM 1170 CB ALA A 82 -4.670 -7.095 -7.485 1.00 0.00 C ATOM 0 H ALA A 82 -4.454 -5.250 -5.865 1.00 0.00 H new ATOM 0 HA ALA A 82 -5.694 -7.810 -5.725 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -4.682 -8.055 -8.002 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -5.523 -6.498 -7.808 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -3.746 -6.567 -7.722 1.00 0.00 H new ATOM 1176 N ALA A 83 -2.572 -7.728 -4.928 1.00 0.00 N ATOM 1177 CA ALA A 83 -1.420 -8.519 -4.486 1.00 0.00 C ATOM 1178 C ALA A 83 -1.662 -9.133 -3.115 1.00 0.00 C ATOM 1179 O ALA A 83 -1.222 -10.251 -2.832 1.00 0.00 O ATOM 1180 CB ALA A 83 -0.171 -7.649 -4.461 1.00 0.00 C ATOM 0 H ALA A 83 -2.492 -6.731 -4.729 1.00 0.00 H new ATOM 0 HA ALA A 83 -1.276 -9.334 -5.195 1.00 0.00 H new ATOM 0 HB1 ALA A 83 0.681 -8.244 -4.131 1.00 0.00 H new ATOM 0 HB2 ALA A 83 0.023 -7.261 -5.461 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -0.321 -6.817 -3.772 1.00 0.00 H new ATOM 1186 N PHE A 84 -2.369 -8.378 -2.277 1.00 0.00 N ATOM 1187 CA PHE A 84 -2.687 -8.794 -0.919 1.00 0.00 C ATOM 1188 C PHE A 84 -4.118 -9.338 -0.800 1.00 0.00 C ATOM 1189 O PHE A 84 -4.539 -9.754 0.286 1.00 0.00 O ATOM 1190 CB PHE A 84 -2.498 -7.605 0.015 1.00 0.00 C ATOM 1191 CG PHE A 84 -1.059 -7.221 0.235 1.00 0.00 C ATOM 1192 CD1 PHE A 84 -0.428 -6.326 -0.615 1.00 0.00 C ATOM 1193 CD2 PHE A 84 -0.339 -7.759 1.290 1.00 0.00 C ATOM 1194 CE1 PHE A 84 0.893 -5.973 -0.417 1.00 0.00 C ATOM 1195 CE2 PHE A 84 0.983 -7.410 1.493 1.00 0.00 C ATOM 1196 CZ PHE A 84 1.599 -6.515 0.639 1.00 0.00 C ATOM 0 H PHE A 84 -2.737 -7.459 -2.524 1.00 0.00 H new ATOM 0 HA PHE A 84 -2.015 -9.606 -0.642 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -3.034 -6.748 -0.392 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -2.953 -7.837 0.978 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -0.976 -5.899 -1.442 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -0.816 -8.458 1.961 1.00 0.00 H new ATOM 0 HE1 PHE A 84 1.373 -5.275 -1.087 1.00 0.00 H new ATOM 0 HE2 PHE A 84 1.534 -7.836 2.318 1.00 0.00 H new ATOM 0 HZ PHE A 84 2.631 -6.240 0.797 1.00 0.00 H new ATOM 1206 N ILE A 85 -4.859 -9.347 -1.925 1.00 0.00 N ATOM 1207 CA ILE A 85 -6.246 -9.835 -1.956 1.00 0.00 C ATOM 1208 C ILE A 85 -6.375 -11.377 -1.724 1.00 0.00 C ATOM 1209 O ILE A 85 -7.379 -11.797 -1.143 1.00 0.00 O ATOM 1210 CB ILE A 85 -6.995 -9.366 -3.258 1.00 0.00 C ATOM 1211 CG1 ILE A 85 -8.521 -9.478 -3.097 1.00 0.00 C ATOM 1212 CG2 ILE A 85 -6.543 -10.117 -4.511 1.00 0.00 C ATOM 1213 CD1 ILE A 85 -9.163 -8.281 -2.421 1.00 0.00 C ATOM 0 H ILE A 85 -4.515 -9.019 -2.828 1.00 0.00 H new ATOM 0 HA ILE A 85 -6.744 -9.374 -1.103 1.00 0.00 H new ATOM 0 HB ILE A 85 -6.727 -8.318 -3.395 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -8.970 -9.610 -4.081 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -8.750 -10.374 -2.519 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -7.096 -9.749 -5.375 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -5.476 -9.956 -4.667 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -6.734 -11.183 -4.385 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -10.239 -8.439 -2.346 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -8.744 -8.159 -1.422 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -8.968 -7.384 -3.008 1.00 0.00 H new ATOM 1225 N PRO A 86 -5.394 -12.252 -2.158 1.00 0.00 N ATOM 1226 CA PRO A 86 -5.501 -13.718 -1.940 1.00 0.00 C ATOM 1227 C PRO A 86 -5.595 -14.122 -0.460 1.00 0.00 C ATOM 1228 O PRO A 86 -6.098 -15.204 -0.143 1.00 0.00 O ATOM 1229 CB PRO A 86 -4.206 -14.278 -2.546 1.00 0.00 C ATOM 1230 CG PRO A 86 -3.750 -13.238 -3.505 1.00 0.00 C ATOM 1231 CD PRO A 86 -4.142 -11.926 -2.894 1.00 0.00 C ATOM 0 HA PRO A 86 -6.416 -14.102 -2.391 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -3.457 -14.461 -1.776 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -4.384 -15.228 -3.049 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -2.672 -13.292 -3.659 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -4.218 -13.372 -4.480 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -3.369 -11.547 -2.225 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -4.309 -11.162 -3.654 1.00 0.00 H new ATOM 1239 N PHE A 87 -5.109 -13.245 0.435 1.00 0.00 N ATOM 1240 CA PHE A 87 -5.123 -13.512 1.885 1.00 0.00 C ATOM 1241 C PHE A 87 -6.486 -13.210 2.518 1.00 0.00 C ATOM 1242 O PHE A 87 -6.876 -13.863 3.492 1.00 0.00 O ATOM 1243 CB PHE A 87 -4.042 -12.693 2.606 1.00 0.00 C ATOM 1244 CG PHE A 87 -2.669 -12.835 2.011 1.00 0.00 C ATOM 1245 CD1 PHE A 87 -1.819 -13.844 2.431 1.00 0.00 C ATOM 1246 CD2 PHE A 87 -2.242 -11.973 1.011 1.00 0.00 C ATOM 1247 CE1 PHE A 87 -0.566 -13.989 1.872 1.00 0.00 C ATOM 1248 CE2 PHE A 87 -0.990 -12.117 0.446 1.00 0.00 C ATOM 1249 CZ PHE A 87 -0.152 -13.127 0.877 1.00 0.00 C ATOM 0 H PHE A 87 -4.702 -12.345 0.181 1.00 0.00 H new ATOM 0 HA PHE A 87 -4.918 -14.576 2.003 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -4.327 -11.641 2.590 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -4.007 -12.998 3.652 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -2.140 -14.525 3.205 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -2.895 -11.182 0.671 1.00 0.00 H new ATOM 0 HE1 PHE A 87 0.090 -14.776 2.213 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -0.667 -11.441 -0.332 1.00 0.00 H new ATOM 0 HZ PHE A 87 0.827 -13.242 0.435 1.00 0.00 H new ATOM 1259 N GLY A 88 -7.196 -12.222 1.961 1.00 0.00 N ATOM 1260 CA GLY A 88 -8.498 -11.843 2.488 1.00 0.00 C ATOM 1261 C GLY A 88 -9.091 -10.635 1.794 1.00 0.00 C ATOM 1262 O GLY A 88 -8.601 -10.209 0.743 1.00 0.00 O ATOM 0 H GLY A 88 -6.889 -11.679 1.154 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -9.183 -12.685 2.388 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -8.405 -11.633 3.554 1.00 0.00 H new ATOM 1266 N ASP A 89 -10.155 -10.090 2.394 1.00 0.00 N ATOM 1267 CA ASP A 89 -10.848 -8.913 1.861 1.00 0.00 C ATOM 1268 C ASP A 89 -10.159 -7.622 2.298 1.00 0.00 C ATOM 1269 O ASP A 89 -9.851 -7.444 3.480 1.00 0.00 O ATOM 1270 CB ASP A 89 -12.311 -8.901 2.324 1.00 0.00 C ATOM 1271 CG ASP A 89 -13.142 -10.027 1.726 1.00 0.00 C ATOM 1272 OD1 ASP A 89 -12.991 -10.311 0.516 1.00 0.00 O ATOM 1273 OD2 ASP A 89 -13.946 -10.627 2.471 1.00 0.00 O ATOM 0 H ASP A 89 -10.558 -10.451 3.259 1.00 0.00 H new ATOM 0 HA ASP A 89 -10.814 -8.971 0.773 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -12.341 -8.975 3.411 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -12.761 -7.945 2.057 1.00 0.00 H new ATOM 1278 N ILE A 90 -9.926 -6.730 1.332 1.00 0.00 N ATOM 1279 CA ILE A 90 -9.280 -5.443 1.597 1.00 0.00 C ATOM 1280 C ILE A 90 -10.284 -4.314 1.365 1.00 0.00 C ATOM 1281 O ILE A 90 -11.019 -4.321 0.373 1.00 0.00 O ATOM 1282 CB ILE A 90 -8.006 -5.233 0.719 1.00 0.00 C ATOM 1283 CG1 ILE A 90 -7.030 -6.406 0.906 1.00 0.00 C ATOM 1284 CG2 ILE A 90 -7.304 -3.914 1.065 1.00 0.00 C ATOM 1285 CD1 ILE A 90 -6.251 -6.764 -0.344 1.00 0.00 C ATOM 0 H ILE A 90 -10.177 -6.877 0.354 1.00 0.00 H new ATOM 0 HA ILE A 90 -8.952 -5.436 2.637 1.00 0.00 H new ATOM 0 HB ILE A 90 -8.323 -5.190 -0.323 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -6.327 -6.157 1.701 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -7.589 -7.281 1.237 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -6.421 -3.796 0.437 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -7.986 -3.082 0.891 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -7.005 -3.925 2.113 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -5.585 -7.600 -0.131 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -6.944 -7.046 -1.137 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -5.663 -5.904 -0.665 1.00 0.00 H new ATOM 1297 N THR A 91 -10.298 -3.353 2.290 1.00 0.00 N ATOM 1298 CA THR A 91 -11.217 -2.219 2.224 1.00 0.00 C ATOM 1299 C THR A 91 -10.619 -1.021 1.480 1.00 0.00 C ATOM 1300 O THR A 91 -11.188 -0.574 0.478 1.00 0.00 O ATOM 1301 CB THR A 91 -11.668 -1.774 3.633 1.00 0.00 C ATOM 1302 OG1 THR A 91 -10.606 -1.957 4.577 1.00 0.00 O ATOM 1303 CG2 THR A 91 -12.890 -2.561 4.083 1.00 0.00 C ATOM 0 H THR A 91 -9.677 -3.339 3.099 1.00 0.00 H new ATOM 0 HA THR A 91 -12.083 -2.569 1.663 1.00 0.00 H new ATOM 0 HB THR A 91 -11.929 -0.717 3.585 1.00 0.00 H new ATOM 0 HG1 THR A 91 -10.845 -1.528 5.425 1.00 0.00 H new ATOM 0 HG21 THR A 91 -13.190 -2.231 5.078 1.00 0.00 H new ATOM 0 HG22 THR A 91 -13.709 -2.393 3.383 1.00 0.00 H new ATOM 0 HG23 THR A 91 -12.648 -3.624 4.111 1.00 0.00 H new ATOM 1311 N ASP A 92 -9.476 -0.502 1.967 1.00 0.00 N ATOM 1312 CA ASP A 92 -8.832 0.670 1.350 1.00 0.00 C ATOM 1313 C ASP A 92 -7.307 0.628 1.443 1.00 0.00 C ATOM 1314 O ASP A 92 -6.742 0.014 2.354 1.00 0.00 O ATOM 1315 CB ASP A 92 -9.328 1.962 2.027 1.00 0.00 C ATOM 1316 CG ASP A 92 -10.784 2.286 1.722 1.00 0.00 C ATOM 1317 OD1 ASP A 92 -11.199 2.142 0.550 1.00 0.00 O ATOM 1318 OD2 ASP A 92 -11.509 2.683 2.658 1.00 0.00 O ATOM 0 H ASP A 92 -8.984 -0.873 2.780 1.00 0.00 H new ATOM 0 HA ASP A 92 -9.106 0.652 0.295 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -9.203 1.869 3.106 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -8.703 2.795 1.704 1.00 0.00 H new ATOM 1323 N ILE A 93 -6.657 1.293 0.475 1.00 0.00 N ATOM 1324 CA ILE A 93 -5.197 1.419 0.430 1.00 0.00 C ATOM 1325 C ILE A 93 -4.855 2.911 0.529 1.00 0.00 C ATOM 1326 O ILE A 93 -5.199 3.688 -0.369 1.00 0.00 O ATOM 1327 CB ILE A 93 -4.571 0.806 -0.881 1.00 0.00 C ATOM 1328 CG1 ILE A 93 -4.985 -0.677 -1.121 1.00 0.00 C ATOM 1329 CG2 ILE A 93 -3.041 0.923 -0.886 1.00 0.00 C ATOM 1330 CD1 ILE A 93 -4.887 -1.602 0.089 1.00 0.00 C ATOM 0 H ILE A 93 -7.132 1.758 -0.298 1.00 0.00 H new ATOM 0 HA ILE A 93 -4.772 0.857 1.262 1.00 0.00 H new ATOM 0 HB ILE A 93 -4.978 1.398 -1.701 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -6.013 -0.693 -1.483 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -4.360 -1.084 -1.916 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -2.646 0.490 -1.805 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -2.756 1.974 -0.828 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -2.632 0.389 -0.028 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -5.199 -2.607 -0.195 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -3.857 -1.629 0.444 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -5.535 -1.232 0.884 1.00 0.00 H new ATOM 1342 N GLN A 94 -4.187 3.302 1.618 1.00 0.00 N ATOM 1343 CA GLN A 94 -3.818 4.703 1.831 1.00 0.00 C ATOM 1344 C GLN A 94 -2.301 4.880 1.808 1.00 0.00 C ATOM 1345 O GLN A 94 -1.578 4.245 2.582 1.00 0.00 O ATOM 1346 CB GLN A 94 -4.402 5.212 3.158 1.00 0.00 C ATOM 1347 CG GLN A 94 -4.736 6.702 3.158 1.00 0.00 C ATOM 1348 CD GLN A 94 -6.083 7.006 2.526 1.00 0.00 C ATOM 1349 OE1 GLN A 94 -7.131 6.655 3.070 1.00 0.00 O ATOM 1350 NE2 GLN A 94 -6.061 7.660 1.371 1.00 0.00 N ATOM 0 H GLN A 94 -3.892 2.670 2.363 1.00 0.00 H new ATOM 0 HA GLN A 94 -4.237 5.294 1.016 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -5.306 4.647 3.386 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -3.690 5.010 3.958 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -4.730 7.070 4.184 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -3.958 7.244 2.620 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -5.170 7.932 0.956 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -6.935 7.891 0.899 1.00 0.00 H new ATOM 1359 N ILE A 95 -1.837 5.748 0.904 1.00 0.00 N ATOM 1360 CA ILE A 95 -0.407 6.033 0.749 1.00 0.00 C ATOM 1361 C ILE A 95 -0.146 7.551 0.816 1.00 0.00 C ATOM 1362 O ILE A 95 -0.731 8.298 0.026 1.00 0.00 O ATOM 1363 CB ILE A 95 0.160 5.483 -0.597 1.00 0.00 C ATOM 1364 CG1 ILE A 95 -0.572 4.212 -1.049 1.00 0.00 C ATOM 1365 CG2 ILE A 95 1.650 5.192 -0.476 1.00 0.00 C ATOM 1366 CD1 ILE A 95 -1.387 4.402 -2.303 1.00 0.00 C ATOM 0 H ILE A 95 -2.436 6.269 0.264 1.00 0.00 H new ATOM 0 HA ILE A 95 0.103 5.529 1.570 1.00 0.00 H new ATOM 0 HB ILE A 95 -0.000 6.257 -1.348 1.00 0.00 H new ATOM 0 HG12 ILE A 95 0.159 3.421 -1.217 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -1.228 3.875 -0.246 1.00 0.00 H new ATOM 0 HG21 ILE A 95 2.024 4.810 -1.426 1.00 0.00 H new ATOM 0 HG22 ILE A 95 2.180 6.109 -0.220 1.00 0.00 H new ATOM 0 HG23 ILE A 95 1.813 4.449 0.304 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -1.877 3.464 -2.564 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -2.141 5.170 -2.134 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -0.733 4.709 -3.119 1.00 0.00 H new ATOM 1378 N PRO A 96 0.732 8.048 1.754 1.00 0.00 N ATOM 1379 CA PRO A 96 1.046 9.492 1.855 1.00 0.00 C ATOM 1380 C PRO A 96 1.772 10.017 0.612 1.00 0.00 C ATOM 1381 O PRO A 96 2.784 9.445 0.190 1.00 0.00 O ATOM 1382 CB PRO A 96 1.965 9.598 3.084 1.00 0.00 C ATOM 1383 CG PRO A 96 1.815 8.307 3.815 1.00 0.00 C ATOM 1384 CD PRO A 96 1.466 7.272 2.782 1.00 0.00 C ATOM 0 HA PRO A 96 0.137 10.088 1.940 1.00 0.00 H new ATOM 0 HB2 PRO A 96 3.001 9.760 2.785 1.00 0.00 H new ATOM 0 HB3 PRO A 96 1.679 10.440 3.715 1.00 0.00 H new ATOM 0 HG2 PRO A 96 2.738 8.044 4.332 1.00 0.00 H new ATOM 0 HG3 PRO A 96 1.035 8.378 4.573 1.00 0.00 H new ATOM 0 HD2 PRO A 96 2.357 6.800 2.369 1.00 0.00 H new ATOM 0 HD3 PRO A 96 0.850 6.477 3.202 1.00 0.00 H new ATOM 1392 N LEU A 97 1.242 11.098 0.029 1.00 0.00 N ATOM 1393 CA LEU A 97 1.828 11.701 -1.169 1.00 0.00 C ATOM 1394 C LEU A 97 1.975 13.213 -1.012 1.00 0.00 C ATOM 1395 O LEU A 97 1.057 13.885 -0.534 1.00 0.00 O ATOM 1396 CB LEU A 97 0.963 11.385 -2.396 1.00 0.00 C ATOM 1397 CG LEU A 97 1.714 11.318 -3.727 1.00 0.00 C ATOM 1398 CD1 LEU A 97 1.976 9.872 -4.118 1.00 0.00 C ATOM 1399 CD2 LEU A 97 0.932 12.037 -4.817 1.00 0.00 C ATOM 0 H LEU A 97 0.406 11.573 0.370 1.00 0.00 H new ATOM 0 HA LEU A 97 2.822 11.275 -1.308 1.00 0.00 H new ATOM 0 HB2 LEU A 97 0.463 10.430 -2.231 1.00 0.00 H new ATOM 0 HB3 LEU A 97 0.184 12.143 -2.475 1.00 0.00 H new ATOM 0 HG LEU A 97 2.674 11.820 -3.608 1.00 0.00 H new ATOM 0 HD11 LEU A 97 2.511 9.843 -5.067 1.00 0.00 H new ATOM 0 HD12 LEU A 97 2.578 9.390 -3.347 1.00 0.00 H new ATOM 0 HD13 LEU A 97 1.027 9.345 -4.220 1.00 0.00 H new ATOM 0 HD21 LEU A 97 1.481 11.979 -5.757 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -0.043 11.565 -4.937 1.00 0.00 H new ATOM 0 HD23 LEU A 97 0.797 13.082 -4.539 1.00 0.00 H new ATOM 1411 N ASP A 98 3.140 13.737 -1.419 1.00 0.00 N ATOM 1412 CA ASP A 98 3.422 15.175 -1.345 1.00 0.00 C ATOM 1413 C ASP A 98 3.079 15.853 -2.669 1.00 0.00 C ATOM 1414 O ASP A 98 3.216 15.250 -3.731 1.00 0.00 O ATOM 1415 CB ASP A 98 4.898 15.438 -1.003 1.00 0.00 C ATOM 1416 CG ASP A 98 5.318 14.852 0.338 1.00 0.00 C ATOM 1417 OD1 ASP A 98 4.600 15.071 1.340 1.00 0.00 O ATOM 1418 OD2 ASP A 98 6.366 14.175 0.385 1.00 0.00 O ATOM 0 H ASP A 98 3.904 13.182 -1.804 1.00 0.00 H new ATOM 0 HA ASP A 98 2.802 15.592 -0.551 1.00 0.00 H new ATOM 0 HB2 ASP A 98 5.526 15.018 -1.788 1.00 0.00 H new ATOM 0 HB3 ASP A 98 5.076 16.513 -0.994 1.00 0.00 H new ATOM 1423 N TYR A 99 2.615 17.105 -2.592 1.00 0.00 N ATOM 1424 CA TYR A 99 2.248 17.892 -3.784 1.00 0.00 C ATOM 1425 C TYR A 99 3.452 18.187 -4.690 1.00 0.00 C ATOM 1426 O TYR A 99 3.328 18.208 -5.917 1.00 0.00 O ATOM 1427 CB TYR A 99 1.595 19.213 -3.364 1.00 0.00 C ATOM 1428 CG TYR A 99 0.247 19.050 -2.692 1.00 0.00 C ATOM 1429 CD1 TYR A 99 -0.890 18.789 -3.442 1.00 0.00 C ATOM 1430 CD2 TYR A 99 0.114 19.162 -1.314 1.00 0.00 C ATOM 1431 CE1 TYR A 99 -2.125 18.642 -2.841 1.00 0.00 C ATOM 1432 CE2 TYR A 99 -1.117 19.015 -0.703 1.00 0.00 C ATOM 1433 CZ TYR A 99 -2.233 18.755 -1.471 1.00 0.00 C ATOM 1434 OH TYR A 99 -3.461 18.609 -0.867 1.00 0.00 O ATOM 0 H TYR A 99 2.482 17.602 -1.711 1.00 0.00 H new ATOM 0 HA TYR A 99 1.544 17.288 -4.355 1.00 0.00 H new ATOM 0 HB2 TYR A 99 2.267 19.738 -2.685 1.00 0.00 H new ATOM 0 HB3 TYR A 99 1.476 19.843 -4.245 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -0.808 18.699 -4.515 1.00 0.00 H new ATOM 0 HD2 TYR A 99 0.986 19.367 -0.711 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -3.000 18.440 -3.440 1.00 0.00 H new ATOM 0 HE2 TYR A 99 -1.205 19.103 0.370 1.00 0.00 H new ATOM 0 HH TYR A 99 -3.364 18.717 0.102 1.00 0.00 H new ATOM 1444 N GLU A 100 4.609 18.412 -4.057 1.00 0.00 N ATOM 1445 CA GLU A 100 5.858 18.743 -4.758 1.00 0.00 C ATOM 1446 C GLU A 100 6.512 17.522 -5.444 1.00 0.00 C ATOM 1447 O GLU A 100 6.870 17.597 -6.623 1.00 0.00 O ATOM 1448 CB GLU A 100 6.836 19.377 -3.752 1.00 0.00 C ATOM 1449 CG GLU A 100 8.033 20.086 -4.382 1.00 0.00 C ATOM 1450 CD GLU A 100 9.040 20.569 -3.353 1.00 0.00 C ATOM 1451 OE1 GLU A 100 9.636 19.719 -2.656 1.00 0.00 O ATOM 1452 OE2 GLU A 100 9.232 21.798 -3.245 1.00 0.00 O ATOM 0 H GLU A 100 4.707 18.370 -3.043 1.00 0.00 H new ATOM 0 HA GLU A 100 5.615 19.445 -5.556 1.00 0.00 H new ATOM 0 HB2 GLU A 100 6.290 20.093 -3.138 1.00 0.00 H new ATOM 0 HB3 GLU A 100 7.203 18.598 -3.084 1.00 0.00 H new ATOM 0 HG2 GLU A 100 8.527 19.407 -5.076 1.00 0.00 H new ATOM 0 HG3 GLU A 100 7.680 20.937 -4.965 1.00 0.00 H new ATOM 1459 N THR A 101 6.658 16.415 -4.704 1.00 0.00 N ATOM 1460 CA THR A 101 7.301 15.200 -5.234 1.00 0.00 C ATOM 1461 C THR A 101 6.312 14.211 -5.843 1.00 0.00 C ATOM 1462 O THR A 101 6.668 13.482 -6.770 1.00 0.00 O ATOM 1463 CB THR A 101 8.113 14.480 -4.131 1.00 0.00 C ATOM 1464 OG1 THR A 101 7.295 14.274 -2.972 1.00 0.00 O ATOM 1465 CG2 THR A 101 9.355 15.277 -3.749 1.00 0.00 C ATOM 0 H THR A 101 6.341 16.333 -3.738 1.00 0.00 H new ATOM 0 HA THR A 101 7.963 15.542 -6.030 1.00 0.00 H new ATOM 0 HB THR A 101 8.433 13.516 -4.526 1.00 0.00 H new ATOM 0 HG1 THR A 101 7.817 13.816 -2.280 1.00 0.00 H new ATOM 0 HG21 THR A 101 9.904 14.745 -2.972 1.00 0.00 H new ATOM 0 HG22 THR A 101 9.992 15.399 -4.625 1.00 0.00 H new ATOM 0 HG23 THR A 101 9.058 16.257 -3.377 1.00 0.00 H new ATOM 1473 N GLU A 102 5.057 14.209 -5.346 1.00 0.00 N ATOM 1474 CA GLU A 102 3.989 13.285 -5.825 1.00 0.00 C ATOM 1475 C GLU A 102 4.449 11.808 -5.797 1.00 0.00 C ATOM 1476 O GLU A 102 3.899 10.953 -6.505 1.00 0.00 O ATOM 1477 CB GLU A 102 3.510 13.675 -7.240 1.00 0.00 C ATOM 1478 CG GLU A 102 2.758 14.997 -7.296 1.00 0.00 C ATOM 1479 CD GLU A 102 2.239 15.314 -8.685 1.00 0.00 C ATOM 1480 OE1 GLU A 102 3.053 15.709 -9.545 1.00 0.00 O ATOM 1481 OE2 GLU A 102 1.020 15.167 -8.911 1.00 0.00 O ATOM 0 H GLU A 102 4.750 14.841 -4.606 1.00 0.00 H new ATOM 0 HA GLU A 102 3.150 13.383 -5.136 1.00 0.00 H new ATOM 0 HB2 GLU A 102 4.374 13.732 -7.902 1.00 0.00 H new ATOM 0 HB3 GLU A 102 2.865 12.885 -7.625 1.00 0.00 H new ATOM 0 HG2 GLU A 102 1.921 14.965 -6.598 1.00 0.00 H new ATOM 0 HG3 GLU A 102 3.417 15.800 -6.966 1.00 0.00 H new ATOM 1488 N LYS A 103 5.452 11.526 -4.952 1.00 0.00 N ATOM 1489 CA LYS A 103 6.024 10.182 -4.823 1.00 0.00 C ATOM 1490 C LYS A 103 5.603 9.542 -3.504 1.00 0.00 C ATOM 1491 O LYS A 103 5.408 10.239 -2.503 1.00 0.00 O ATOM 1492 CB LYS A 103 7.561 10.238 -4.891 1.00 0.00 C ATOM 1493 CG LYS A 103 8.121 10.956 -6.117 1.00 0.00 C ATOM 1494 CD LYS A 103 9.613 10.711 -6.276 1.00 0.00 C ATOM 1495 CE LYS A 103 10.190 11.524 -7.424 1.00 0.00 C ATOM 1496 NZ LYS A 103 11.426 10.906 -7.978 1.00 0.00 N ATOM 0 H LYS A 103 5.886 12.220 -4.343 1.00 0.00 H new ATOM 0 HA LYS A 103 5.649 9.580 -5.650 1.00 0.00 H new ATOM 0 HB2 LYS A 103 7.933 10.735 -3.995 1.00 0.00 H new ATOM 0 HB3 LYS A 103 7.949 9.220 -4.875 1.00 0.00 H new ATOM 0 HG2 LYS A 103 7.598 10.614 -7.010 1.00 0.00 H new ATOM 0 HG3 LYS A 103 7.935 12.026 -6.029 1.00 0.00 H new ATOM 0 HD2 LYS A 103 10.126 10.971 -5.350 1.00 0.00 H new ATOM 0 HD3 LYS A 103 9.792 9.651 -6.453 1.00 0.00 H new ATOM 0 HE2 LYS A 103 9.445 11.616 -8.214 1.00 0.00 H new ATOM 0 HE3 LYS A 103 10.413 12.533 -7.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 11.787 11.491 -8.758 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 12.147 10.842 -7.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 11.209 9.953 -8.332 1.00 0.00 H new ATOM 1510 N HIS A 104 5.466 8.210 -3.510 1.00 0.00 N ATOM 1511 CA HIS A 104 5.075 7.461 -2.309 1.00 0.00 C ATOM 1512 C HIS A 104 6.297 6.960 -1.518 1.00 0.00 C ATOM 1513 O HIS A 104 6.151 6.461 -0.397 1.00 0.00 O ATOM 1514 CB HIS A 104 4.138 6.288 -2.663 1.00 0.00 C ATOM 1515 CG HIS A 104 4.663 5.322 -3.689 1.00 0.00 C ATOM 1516 ND1 HIS A 104 5.395 4.200 -3.359 1.00 0.00 N ATOM 1517 CD2 HIS A 104 4.529 5.298 -5.035 1.00 0.00 C ATOM 1518 CE1 HIS A 104 5.686 3.528 -4.457 1.00 0.00 C ATOM 1519 NE2 HIS A 104 5.172 4.172 -5.491 1.00 0.00 N ATOM 0 H HIS A 104 5.620 7.629 -4.334 1.00 0.00 H new ATOM 0 HA HIS A 104 4.531 8.154 -1.667 1.00 0.00 H new ATOM 0 HB2 HIS A 104 3.917 5.735 -1.750 1.00 0.00 H new ATOM 0 HB3 HIS A 104 3.195 6.697 -3.025 1.00 0.00 H new ATOM 0 HD2 HIS A 104 4.012 6.029 -5.640 1.00 0.00 H new ATOM 0 HE1 HIS A 104 6.249 2.607 -4.503 1.00 0.00 H new ATOM 0 HE2 HIS A 104 5.241 3.881 -6.466 1.00 0.00 H new ATOM 1528 N ARG A 105 7.500 7.097 -2.120 1.00 0.00 N ATOM 1529 CA ARG A 105 8.795 6.674 -1.517 1.00 0.00 C ATOM 1530 C ARG A 105 8.964 5.146 -1.463 1.00 0.00 C ATOM 1531 O ARG A 105 10.090 4.658 -1.326 1.00 0.00 O ATOM 1532 CB ARG A 105 9.013 7.277 -0.116 1.00 0.00 C ATOM 1533 CG ARG A 105 9.264 8.778 -0.129 1.00 0.00 C ATOM 1534 CD ARG A 105 9.595 9.299 1.261 1.00 0.00 C ATOM 1535 NE ARG A 105 9.686 10.763 1.291 1.00 0.00 N ATOM 1536 CZ ARG A 105 9.380 11.525 2.350 1.00 0.00 C ATOM 1537 NH1 ARG A 105 8.950 10.983 3.489 1.00 0.00 N ATOM 1538 NH2 ARG A 105 9.505 12.843 2.266 1.00 0.00 N ATOM 0 H ARG A 105 7.606 7.508 -3.048 1.00 0.00 H new ATOM 0 HA ARG A 105 9.560 7.068 -2.186 1.00 0.00 H new ATOM 0 HB2 ARG A 105 8.138 7.069 0.500 1.00 0.00 H new ATOM 0 HB3 ARG A 105 9.860 6.780 0.356 1.00 0.00 H new ATOM 0 HG2 ARG A 105 10.085 9.005 -0.809 1.00 0.00 H new ATOM 0 HG3 ARG A 105 8.382 9.292 -0.511 1.00 0.00 H new ATOM 0 HD2 ARG A 105 8.830 8.969 1.964 1.00 0.00 H new ATOM 0 HD3 ARG A 105 10.540 8.870 1.594 1.00 0.00 H new ATOM 0 HE ARG A 105 10.005 11.235 0.445 1.00 0.00 H new ATOM 0 HH11 ARG A 105 8.849 9.971 3.566 1.00 0.00 H new ATOM 0 HH12 ARG A 105 8.722 11.580 4.284 1.00 0.00 H new ATOM 0 HH21 ARG A 105 9.832 13.270 1.399 1.00 0.00 H new ATOM 0 HH22 ARG A 105 9.274 13.429 3.068 1.00 0.00 H new ATOM 1552 N GLY A 106 7.854 4.403 -1.570 1.00 0.00 N ATOM 1553 CA GLY A 106 7.919 2.946 -1.551 1.00 0.00 C ATOM 1554 C GLY A 106 7.304 2.302 -0.318 1.00 0.00 C ATOM 1555 O GLY A 106 7.711 1.200 0.059 1.00 0.00 O ATOM 0 H GLY A 106 6.914 4.786 -1.669 1.00 0.00 H new ATOM 0 HA2 GLY A 106 7.413 2.561 -2.437 1.00 0.00 H new ATOM 0 HA3 GLY A 106 8.963 2.641 -1.622 1.00 0.00 H new ATOM 1559 N PHE A 107 6.340 2.982 0.324 1.00 0.00 N ATOM 1560 CA PHE A 107 5.647 2.422 1.496 1.00 0.00 C ATOM 1561 C PHE A 107 4.195 2.898 1.560 1.00 0.00 C ATOM 1562 O PHE A 107 3.887 4.033 1.192 1.00 0.00 O ATOM 1563 CB PHE A 107 6.384 2.726 2.821 1.00 0.00 C ATOM 1564 CG PHE A 107 6.633 4.185 3.109 1.00 0.00 C ATOM 1565 CD1 PHE A 107 7.795 4.801 2.679 1.00 0.00 C ATOM 1566 CD2 PHE A 107 5.703 4.932 3.816 1.00 0.00 C ATOM 1567 CE1 PHE A 107 8.030 6.135 2.950 1.00 0.00 C ATOM 1568 CE2 PHE A 107 5.930 6.269 4.087 1.00 0.00 C ATOM 1569 CZ PHE A 107 7.096 6.870 3.654 1.00 0.00 C ATOM 0 H PHE A 107 6.024 3.914 0.054 1.00 0.00 H new ATOM 0 HA PHE A 107 5.650 1.339 1.371 1.00 0.00 H new ATOM 0 HB2 PHE A 107 5.804 2.306 3.643 1.00 0.00 H new ATOM 0 HB3 PHE A 107 7.343 2.208 2.810 1.00 0.00 H new ATOM 0 HD1 PHE A 107 8.527 4.232 2.125 1.00 0.00 H new ATOM 0 HD2 PHE A 107 4.792 4.465 4.159 1.00 0.00 H new ATOM 0 HE1 PHE A 107 8.943 6.603 2.612 1.00 0.00 H new ATOM 0 HE2 PHE A 107 5.197 6.842 4.636 1.00 0.00 H new ATOM 0 HZ PHE A 107 7.277 7.913 3.866 1.00 0.00 H new ATOM 1579 N ALA A 108 3.319 2.006 2.049 1.00 0.00 N ATOM 1580 CA ALA A 108 1.879 2.275 2.171 1.00 0.00 C ATOM 1581 C ALA A 108 1.262 1.452 3.308 1.00 0.00 C ATOM 1582 O ALA A 108 1.912 0.557 3.854 1.00 0.00 O ATOM 1583 CB ALA A 108 1.173 1.942 0.859 1.00 0.00 C ATOM 0 H ALA A 108 3.590 1.077 2.371 1.00 0.00 H new ATOM 0 HA ALA A 108 1.750 3.333 2.398 1.00 0.00 H new ATOM 0 HB1 ALA A 108 0.107 2.144 0.958 1.00 0.00 H new ATOM 0 HB2 ALA A 108 1.586 2.555 0.058 1.00 0.00 H new ATOM 0 HB3 ALA A 108 1.322 0.888 0.623 1.00 0.00 H new ATOM 1589 N PHE A 109 0.019 1.784 3.678 1.00 0.00 N ATOM 1590 CA PHE A 109 -0.709 1.043 4.713 1.00 0.00 C ATOM 1591 C PHE A 109 -1.892 0.333 4.065 1.00 0.00 C ATOM 1592 O PHE A 109 -2.545 0.897 3.181 1.00 0.00 O ATOM 1593 CB PHE A 109 -1.205 1.962 5.837 1.00 0.00 C ATOM 1594 CG PHE A 109 -0.112 2.708 6.554 1.00 0.00 C ATOM 1595 CD1 PHE A 109 0.302 3.954 6.110 1.00 0.00 C ATOM 1596 CD2 PHE A 109 0.493 2.165 7.675 1.00 0.00 C ATOM 1597 CE1 PHE A 109 1.302 4.642 6.770 1.00 0.00 C ATOM 1598 CE2 PHE A 109 1.493 2.848 8.339 1.00 0.00 C ATOM 1599 CZ PHE A 109 1.899 4.089 7.886 1.00 0.00 C ATOM 0 H PHE A 109 -0.503 2.562 3.275 1.00 0.00 H new ATOM 0 HA PHE A 109 -0.027 0.321 5.163 1.00 0.00 H new ATOM 0 HB2 PHE A 109 -1.907 2.683 5.418 1.00 0.00 H new ATOM 0 HB3 PHE A 109 -1.757 1.364 6.562 1.00 0.00 H new ATOM 0 HD1 PHE A 109 -0.162 4.392 5.239 1.00 0.00 H new ATOM 0 HD2 PHE A 109 0.179 1.196 8.034 1.00 0.00 H new ATOM 0 HE1 PHE A 109 1.617 5.612 6.413 1.00 0.00 H new ATOM 0 HE2 PHE A 109 1.957 2.413 9.212 1.00 0.00 H new ATOM 0 HZ PHE A 109 2.681 4.625 8.403 1.00 0.00 H new ATOM 1609 N VAL A 110 -2.166 -0.894 4.506 1.00 0.00 N ATOM 1610 CA VAL A 110 -3.268 -1.681 3.949 1.00 0.00 C ATOM 1611 C VAL A 110 -4.339 -1.957 5.016 1.00 0.00 C ATOM 1612 O VAL A 110 -4.022 -2.320 6.153 1.00 0.00 O ATOM 1613 CB VAL A 110 -2.737 -3.001 3.278 1.00 0.00 C ATOM 1614 CG1 VAL A 110 -1.979 -3.899 4.258 1.00 0.00 C ATOM 1615 CG2 VAL A 110 -3.860 -3.784 2.594 1.00 0.00 C ATOM 0 H VAL A 110 -1.643 -1.364 5.245 1.00 0.00 H new ATOM 0 HA VAL A 110 -3.745 -1.097 3.162 1.00 0.00 H new ATOM 0 HB VAL A 110 -2.028 -2.682 2.514 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -1.636 -4.795 3.740 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -1.120 -3.359 4.657 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -2.640 -4.184 5.076 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -3.451 -4.688 2.143 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -4.615 -4.056 3.331 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -4.315 -3.166 1.819 1.00 0.00 H new ATOM 1625 N GLU A 111 -5.602 -1.776 4.616 1.00 0.00 N ATOM 1626 CA GLU A 111 -6.747 -1.979 5.499 1.00 0.00 C ATOM 1627 C GLU A 111 -7.457 -3.293 5.154 1.00 0.00 C ATOM 1628 O GLU A 111 -7.846 -3.510 4.004 1.00 0.00 O ATOM 1629 CB GLU A 111 -7.711 -0.788 5.348 1.00 0.00 C ATOM 1630 CG GLU A 111 -8.648 -0.569 6.530 1.00 0.00 C ATOM 1631 CD GLU A 111 -9.722 0.467 6.246 1.00 0.00 C ATOM 1632 OE1 GLU A 111 -9.371 1.644 6.015 1.00 0.00 O ATOM 1633 OE2 GLU A 111 -10.917 0.101 6.259 1.00 0.00 O ATOM 0 H GLU A 111 -5.855 -1.485 3.672 1.00 0.00 H new ATOM 0 HA GLU A 111 -6.407 -2.041 6.533 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -7.125 0.118 5.194 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -8.311 -0.936 4.450 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -9.122 -1.515 6.792 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -8.066 -0.254 7.396 1.00 0.00 H new ATOM 1640 N PHE A 112 -7.622 -4.154 6.161 1.00 0.00 N ATOM 1641 CA PHE A 112 -8.288 -5.446 5.981 1.00 0.00 C ATOM 1642 C PHE A 112 -9.627 -5.478 6.706 1.00 0.00 C ATOM 1643 O PHE A 112 -9.741 -4.988 7.833 1.00 0.00 O ATOM 1644 CB PHE A 112 -7.399 -6.588 6.486 1.00 0.00 C ATOM 1645 CG PHE A 112 -6.464 -7.143 5.446 1.00 0.00 C ATOM 1646 CD1 PHE A 112 -5.193 -6.618 5.277 1.00 0.00 C ATOM 1647 CD2 PHE A 112 -6.862 -8.199 4.640 1.00 0.00 C ATOM 1648 CE1 PHE A 112 -4.337 -7.136 4.323 1.00 0.00 C ATOM 1649 CE2 PHE A 112 -6.010 -8.719 3.686 1.00 0.00 C ATOM 1650 CZ PHE A 112 -4.747 -8.188 3.527 1.00 0.00 C ATOM 0 H PHE A 112 -7.302 -3.978 7.113 1.00 0.00 H new ATOM 0 HA PHE A 112 -8.467 -5.579 4.914 1.00 0.00 H new ATOM 0 HB2 PHE A 112 -6.813 -6.231 7.333 1.00 0.00 H new ATOM 0 HB3 PHE A 112 -8.034 -7.393 6.855 1.00 0.00 H new ATOM 0 HD1 PHE A 112 -4.868 -5.796 5.897 1.00 0.00 H new ATOM 0 HD2 PHE A 112 -7.850 -8.619 4.760 1.00 0.00 H new ATOM 0 HE1 PHE A 112 -3.349 -6.719 4.200 1.00 0.00 H new ATOM 0 HE2 PHE A 112 -6.332 -9.541 3.064 1.00 0.00 H new ATOM 0 HZ PHE A 112 -4.080 -8.594 2.781 1.00 0.00 H new ATOM 1660 N GLU A 113 -10.641 -6.057 6.044 1.00 0.00 N ATOM 1661 CA GLU A 113 -11.992 -6.182 6.615 1.00 0.00 C ATOM 1662 C GLU A 113 -11.985 -7.132 7.828 1.00 0.00 C ATOM 1663 O GLU A 113 -12.699 -6.903 8.809 1.00 0.00 O ATOM 1664 CB GLU A 113 -12.969 -6.682 5.536 1.00 0.00 C ATOM 1665 CG GLU A 113 -14.441 -6.502 5.884 1.00 0.00 C ATOM 1666 CD GLU A 113 -15.367 -7.112 4.849 1.00 0.00 C ATOM 1667 OE1 GLU A 113 -15.433 -6.577 3.722 1.00 0.00 O ATOM 1668 OE2 GLU A 113 -16.027 -8.123 5.166 1.00 0.00 O ATOM 0 H GLU A 113 -10.550 -6.448 5.107 1.00 0.00 H new ATOM 0 HA GLU A 113 -12.321 -5.202 6.960 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -12.762 -6.155 4.604 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -12.779 -7.740 5.353 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -14.639 -6.956 6.855 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -14.660 -5.438 5.979 1.00 0.00 H new ATOM 1675 N LEU A 114 -11.170 -8.189 7.734 1.00 0.00 N ATOM 1676 CA LEU A 114 -11.032 -9.174 8.806 1.00 0.00 C ATOM 1677 C LEU A 114 -9.673 -9.062 9.471 1.00 0.00 C ATOM 1678 O LEU A 114 -8.647 -8.962 8.791 1.00 0.00 O ATOM 1679 CB LEU A 114 -11.204 -10.604 8.265 1.00 0.00 C ATOM 1680 CG LEU A 114 -12.640 -11.137 8.237 1.00 0.00 C ATOM 1681 CD1 LEU A 114 -13.335 -10.751 6.939 1.00 0.00 C ATOM 1682 CD2 LEU A 114 -12.639 -12.649 8.414 1.00 0.00 C ATOM 0 H LEU A 114 -10.592 -8.383 6.916 1.00 0.00 H new ATOM 0 HA LEU A 114 -11.813 -8.968 9.538 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -10.803 -10.640 7.252 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -10.598 -11.277 8.872 1.00 0.00 H new ATOM 0 HG LEU A 114 -13.193 -10.687 9.062 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -14.353 -11.140 6.942 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -13.362 -9.665 6.850 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -12.788 -11.171 6.095 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -13.664 -13.018 8.393 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -12.070 -13.110 7.606 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -12.182 -12.903 9.370 1.00 0.00 H new ATOM 1694 N ALA A 115 -9.674 -9.079 10.810 1.00 0.00 N ATOM 1695 CA ALA A 115 -8.435 -9.034 11.598 1.00 0.00 C ATOM 1696 C ALA A 115 -7.673 -10.358 11.453 1.00 0.00 C ATOM 1697 O ALA A 115 -6.467 -10.436 11.707 1.00 0.00 O ATOM 1698 CB ALA A 115 -8.747 -8.756 13.062 1.00 0.00 C ATOM 0 H ALA A 115 -10.523 -9.124 11.373 1.00 0.00 H new ATOM 0 HA ALA A 115 -7.808 -8.226 11.222 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -7.819 -8.726 13.632 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -9.258 -7.797 13.149 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -9.388 -9.546 13.454 1.00 0.00 H new ATOM 1704 N GLU A 116 -8.425 -11.392 11.034 1.00 0.00 N ATOM 1705 CA GLU A 116 -7.913 -12.745 10.805 1.00 0.00 C ATOM 1706 C GLU A 116 -6.944 -12.776 9.604 1.00 0.00 C ATOM 1707 O GLU A 116 -5.829 -13.303 9.706 1.00 0.00 O ATOM 1708 CB GLU A 116 -9.122 -13.677 10.569 1.00 0.00 C ATOM 1709 CG GLU A 116 -8.786 -15.149 10.440 1.00 0.00 C ATOM 1710 CD GLU A 116 -9.998 -16.001 10.113 1.00 0.00 C ATOM 1711 OE1 GLU A 116 -10.864 -16.167 10.997 1.00 0.00 O ATOM 1712 OE2 GLU A 116 -10.080 -16.502 8.971 1.00 0.00 O ATOM 0 H GLU A 116 -9.423 -11.303 10.843 1.00 0.00 H new ATOM 0 HA GLU A 116 -7.347 -13.082 11.674 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -9.823 -13.552 11.394 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -9.636 -13.357 9.662 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -8.035 -15.279 9.661 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -8.342 -15.499 11.372 1.00 0.00 H new ATOM 1719 N ASP A 117 -7.383 -12.189 8.477 1.00 0.00 N ATOM 1720 CA ASP A 117 -6.578 -12.124 7.247 1.00 0.00 C ATOM 1721 C ASP A 117 -5.371 -11.198 7.420 1.00 0.00 C ATOM 1722 O ASP A 117 -4.313 -11.427 6.828 1.00 0.00 O ATOM 1723 CB ASP A 117 -7.432 -11.663 6.057 1.00 0.00 C ATOM 1724 CG ASP A 117 -8.574 -12.617 5.734 1.00 0.00 C ATOM 1725 OD1 ASP A 117 -8.344 -13.847 5.717 1.00 0.00 O ATOM 1726 OD2 ASP A 117 -9.701 -12.131 5.498 1.00 0.00 O ATOM 0 H ASP A 117 -8.300 -11.749 8.394 1.00 0.00 H new ATOM 0 HA ASP A 117 -6.210 -13.130 7.044 1.00 0.00 H new ATOM 0 HB2 ASP A 117 -7.841 -10.676 6.272 1.00 0.00 H new ATOM 0 HB3 ASP A 117 -6.794 -11.559 5.179 1.00 0.00 H new ATOM 1731 N ALA A 118 -5.550 -10.148 8.241 1.00 0.00 N ATOM 1732 CA ALA A 118 -4.494 -9.168 8.531 1.00 0.00 C ATOM 1733 C ALA A 118 -3.281 -9.828 9.192 1.00 0.00 C ATOM 1734 O ALA A 118 -2.137 -9.542 8.828 1.00 0.00 O ATOM 1735 CB ALA A 118 -5.045 -8.078 9.432 1.00 0.00 C ATOM 0 H ALA A 118 -6.430 -9.957 8.720 1.00 0.00 H new ATOM 0 HA ALA A 118 -4.164 -8.735 7.587 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -4.261 -7.352 9.646 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -5.875 -7.579 8.933 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -5.395 -8.520 10.365 1.00 0.00 H new ATOM 1741 N ALA A 119 -3.552 -10.713 10.168 1.00 0.00 N ATOM 1742 CA ALA A 119 -2.502 -11.458 10.870 1.00 0.00 C ATOM 1743 C ALA A 119 -1.864 -12.483 9.933 1.00 0.00 C ATOM 1744 O ALA A 119 -0.673 -12.796 10.046 1.00 0.00 O ATOM 1745 CB ALA A 119 -3.072 -12.144 12.103 1.00 0.00 C ATOM 0 H ALA A 119 -4.497 -10.928 10.487 1.00 0.00 H new ATOM 0 HA ALA A 119 -1.732 -10.757 11.192 1.00 0.00 H new ATOM 0 HB1 ALA A 119 -2.280 -12.693 12.613 1.00 0.00 H new ATOM 0 HB2 ALA A 119 -3.486 -11.395 12.777 1.00 0.00 H new ATOM 0 HB3 ALA A 119 -3.858 -12.837 11.803 1.00 0.00 H new ATOM 1751 N ALA A 120 -2.684 -12.987 8.995 1.00 0.00 N ATOM 1752 CA ALA A 120 -2.242 -13.967 7.993 1.00 0.00 C ATOM 1753 C ALA A 120 -1.304 -13.326 6.966 1.00 0.00 C ATOM 1754 O ALA A 120 -0.300 -13.928 6.562 1.00 0.00 O ATOM 1755 CB ALA A 120 -3.446 -14.586 7.295 1.00 0.00 C ATOM 0 H ALA A 120 -3.667 -12.727 8.912 1.00 0.00 H new ATOM 0 HA ALA A 120 -1.689 -14.751 8.509 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -3.105 -15.310 6.555 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -4.075 -15.087 8.031 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -4.021 -13.804 6.799 1.00 0.00 H new ATOM 1761 N ALA A 121 -1.637 -12.085 6.566 1.00 0.00 N ATOM 1762 CA ALA A 121 -0.842 -11.325 5.595 1.00 0.00 C ATOM 1763 C ALA A 121 0.544 -10.975 6.147 1.00 0.00 C ATOM 1764 O ALA A 121 1.527 -11.002 5.408 1.00 0.00 O ATOM 1765 CB ALA A 121 -1.585 -10.063 5.172 1.00 0.00 C ATOM 0 H ALA A 121 -2.460 -11.587 6.906 1.00 0.00 H new ATOM 0 HA ALA A 121 -0.695 -11.958 4.720 1.00 0.00 H new ATOM 0 HB1 ALA A 121 -0.982 -9.510 4.452 1.00 0.00 H new ATOM 0 HB2 ALA A 121 -2.536 -10.337 4.715 1.00 0.00 H new ATOM 0 HB3 ALA A 121 -1.769 -9.439 6.046 1.00 0.00 H new ATOM 1771 N ILE A 122 0.615 -10.647 7.450 1.00 0.00 N ATOM 1772 CA ILE A 122 1.894 -10.310 8.104 1.00 0.00 C ATOM 1773 C ILE A 122 2.790 -11.552 8.242 1.00 0.00 C ATOM 1774 O ILE A 122 4.014 -11.447 8.158 1.00 0.00 O ATOM 1775 CB ILE A 122 1.691 -9.617 9.493 1.00 0.00 C ATOM 1776 CG1 ILE A 122 0.952 -8.276 9.308 1.00 0.00 C ATOM 1777 CG2 ILE A 122 3.037 -9.383 10.201 1.00 0.00 C ATOM 1778 CD1 ILE A 122 0.297 -7.732 10.563 1.00 0.00 C ATOM 0 H ILE A 122 -0.195 -10.608 8.069 1.00 0.00 H new ATOM 0 HA ILE A 122 2.396 -9.591 7.457 1.00 0.00 H new ATOM 0 HB ILE A 122 1.091 -10.278 10.118 1.00 0.00 H new ATOM 0 HG12 ILE A 122 1.660 -7.536 8.934 1.00 0.00 H new ATOM 0 HG13 ILE A 122 0.187 -8.401 8.541 1.00 0.00 H new ATOM 0 HG21 ILE A 122 2.863 -8.900 11.163 1.00 0.00 H new ATOM 0 HG22 ILE A 122 3.536 -10.339 10.360 1.00 0.00 H new ATOM 0 HG23 ILE A 122 3.667 -8.743 9.583 1.00 0.00 H new ATOM 0 HD11 ILE A 122 -0.197 -6.788 10.335 1.00 0.00 H new ATOM 0 HD12 ILE A 122 -0.439 -8.448 10.929 1.00 0.00 H new ATOM 0 HD13 ILE A 122 1.056 -7.569 11.328 1.00 0.00 H new ATOM 1790 N ASP A 123 2.168 -12.717 8.454 1.00 0.00 N ATOM 1791 CA ASP A 123 2.895 -13.984 8.598 1.00 0.00 C ATOM 1792 C ASP A 123 3.581 -14.424 7.290 1.00 0.00 C ATOM 1793 O ASP A 123 4.677 -14.993 7.327 1.00 0.00 O ATOM 1794 CB ASP A 123 1.940 -15.081 9.079 1.00 0.00 C ATOM 1795 CG ASP A 123 2.632 -16.128 9.935 1.00 0.00 C ATOM 1796 OD1 ASP A 123 3.110 -15.777 11.034 1.00 0.00 O ATOM 1797 OD2 ASP A 123 2.696 -17.298 9.504 1.00 0.00 O ATOM 0 H ASP A 123 1.155 -12.809 8.530 1.00 0.00 H new ATOM 0 HA ASP A 123 3.681 -13.823 9.336 1.00 0.00 H new ATOM 0 HB2 ASP A 123 1.131 -14.627 9.651 1.00 0.00 H new ATOM 0 HB3 ASP A 123 1.486 -15.566 8.215 1.00 0.00 H new ATOM 1802 N ASN A 124 2.931 -14.158 6.145 1.00 0.00 N ATOM 1803 CA ASN A 124 3.467 -14.563 4.836 1.00 0.00 C ATOM 1804 C ASN A 124 4.118 -13.425 4.031 1.00 0.00 C ATOM 1805 O ASN A 124 5.102 -13.667 3.324 1.00 0.00 O ATOM 1806 CB ASN A 124 2.356 -15.200 3.998 1.00 0.00 C ATOM 1807 CG ASN A 124 1.977 -16.588 4.481 1.00 0.00 C ATOM 1808 OD1 ASN A 124 2.824 -17.476 4.587 1.00 0.00 O ATOM 1809 ND2 ASN A 124 0.696 -16.783 4.773 1.00 0.00 N ATOM 0 H ASN A 124 2.038 -13.667 6.100 1.00 0.00 H new ATOM 0 HA ASN A 124 4.262 -15.277 5.052 1.00 0.00 H new ATOM 0 HB2 ASN A 124 1.475 -14.559 4.023 1.00 0.00 H new ATOM 0 HB3 ASN A 124 2.679 -15.258 2.959 1.00 0.00 H new ATOM 0 HD21 ASN A 124 0.381 -17.696 5.099 1.00 0.00 H new ATOM 0 HD22 ASN A 124 0.028 -16.019 4.671 1.00 0.00 H new ATOM 1816 N MET A 125 3.583 -12.201 4.131 1.00 0.00 N ATOM 1817 CA MET A 125 4.101 -11.061 3.347 1.00 0.00 C ATOM 1818 C MET A 125 5.179 -10.244 4.074 1.00 0.00 C ATOM 1819 O MET A 125 5.694 -9.271 3.508 1.00 0.00 O ATOM 1820 CB MET A 125 2.952 -10.130 2.924 1.00 0.00 C ATOM 1821 CG MET A 125 1.944 -10.770 1.976 1.00 0.00 C ATOM 1822 SD MET A 125 2.680 -11.355 0.431 1.00 0.00 S ATOM 1823 CE MET A 125 2.868 -9.825 -0.486 1.00 0.00 C ATOM 0 H MET A 125 2.798 -11.971 4.740 1.00 0.00 H new ATOM 0 HA MET A 125 4.577 -11.501 2.470 1.00 0.00 H new ATOM 0 HB2 MET A 125 2.428 -9.789 3.817 1.00 0.00 H new ATOM 0 HB3 MET A 125 3.373 -9.246 2.445 1.00 0.00 H new ATOM 0 HG2 MET A 125 1.463 -11.608 2.481 1.00 0.00 H new ATOM 0 HG3 MET A 125 1.163 -10.046 1.746 1.00 0.00 H new ATOM 0 HE1 MET A 125 3.766 -9.878 -1.101 1.00 0.00 H new ATOM 0 HE2 MET A 125 1.998 -9.675 -1.126 1.00 0.00 H new ATOM 0 HE3 MET A 125 2.954 -8.991 0.211 1.00 0.00 H new ATOM 1833 N ASN A 126 5.542 -10.640 5.306 1.00 0.00 N ATOM 1834 CA ASN A 126 6.566 -9.921 6.096 1.00 0.00 C ATOM 1835 C ASN A 126 7.904 -9.818 5.337 1.00 0.00 C ATOM 1836 O ASN A 126 8.595 -8.800 5.420 1.00 0.00 O ATOM 1837 CB ASN A 126 6.784 -10.623 7.443 1.00 0.00 C ATOM 1838 CG ASN A 126 7.368 -9.707 8.510 1.00 0.00 C ATOM 1839 OD1 ASN A 126 8.376 -9.036 8.288 1.00 0.00 O ATOM 1840 ND2 ASN A 126 6.733 -9.682 9.675 1.00 0.00 N ATOM 0 H ASN A 126 5.145 -11.452 5.779 1.00 0.00 H new ATOM 0 HA ASN A 126 6.199 -8.909 6.267 1.00 0.00 H new ATOM 0 HB2 ASN A 126 5.833 -11.021 7.796 1.00 0.00 H new ATOM 0 HB3 ASN A 126 7.451 -11.473 7.299 1.00 0.00 H new ATOM 0 HD21 ASN A 126 7.077 -9.090 10.431 1.00 0.00 H new ATOM 0 HD22 ASN A 126 5.901 -10.255 9.815 1.00 0.00 H new ATOM 1847 N GLU A 127 8.247 -10.889 4.605 1.00 0.00 N ATOM 1848 CA GLU A 127 9.477 -10.945 3.811 1.00 0.00 C ATOM 1849 C GLU A 127 9.201 -11.680 2.487 1.00 0.00 C ATOM 1850 O GLU A 127 9.607 -12.834 2.294 1.00 0.00 O ATOM 1851 CB GLU A 127 10.604 -11.631 4.614 1.00 0.00 C ATOM 1852 CG GLU A 127 12.010 -11.358 4.087 1.00 0.00 C ATOM 1853 CD GLU A 127 13.075 -12.141 4.830 1.00 0.00 C ATOM 1854 OE1 GLU A 127 13.319 -11.836 6.017 1.00 0.00 O ATOM 1855 OE2 GLU A 127 13.665 -13.061 4.225 1.00 0.00 O ATOM 0 H GLU A 127 7.680 -11.735 4.549 1.00 0.00 H new ATOM 0 HA GLU A 127 9.808 -9.933 3.580 1.00 0.00 H new ATOM 0 HB2 GLU A 127 10.547 -11.301 5.651 1.00 0.00 H new ATOM 0 HB3 GLU A 127 10.431 -12.707 4.613 1.00 0.00 H new ATOM 0 HG2 GLU A 127 12.052 -11.610 3.027 1.00 0.00 H new ATOM 0 HG3 GLU A 127 12.224 -10.292 4.170 1.00 0.00 H new ATOM 1862 N SER A 128 8.493 -10.992 1.585 1.00 0.00 N ATOM 1863 CA SER A 128 8.136 -11.551 0.279 1.00 0.00 C ATOM 1864 C SER A 128 8.595 -10.638 -0.859 1.00 0.00 C ATOM 1865 O SER A 128 8.803 -9.438 -0.655 1.00 0.00 O ATOM 1866 CB SER A 128 6.622 -11.782 0.201 1.00 0.00 C ATOM 1867 OG SER A 128 5.904 -10.574 0.397 1.00 0.00 O ATOM 0 H SER A 128 8.155 -10.042 1.738 1.00 0.00 H new ATOM 0 HA SER A 128 8.648 -12.507 0.167 1.00 0.00 H new ATOM 0 HB2 SER A 128 6.366 -12.206 -0.770 1.00 0.00 H new ATOM 0 HB3 SER A 128 6.324 -12.511 0.955 1.00 0.00 H new ATOM 0 HG SER A 128 5.986 -10.293 1.332 1.00 0.00 H new ATOM 1873 N GLU A 129 8.761 -11.222 -2.054 1.00 0.00 N ATOM 1874 CA GLU A 129 9.190 -10.475 -3.231 1.00 0.00 C ATOM 1875 C GLU A 129 7.979 -10.029 -4.058 1.00 0.00 C ATOM 1876 O GLU A 129 7.189 -10.857 -4.524 1.00 0.00 O ATOM 1877 CB GLU A 129 10.131 -11.345 -4.075 1.00 0.00 C ATOM 1878 CG GLU A 129 11.062 -10.552 -4.977 1.00 0.00 C ATOM 1879 CD GLU A 129 11.908 -11.437 -5.872 1.00 0.00 C ATOM 1880 OE1 GLU A 129 12.794 -12.143 -5.346 1.00 0.00 O ATOM 1881 OE2 GLU A 129 11.683 -11.426 -7.101 1.00 0.00 O ATOM 0 H GLU A 129 8.602 -12.215 -2.225 1.00 0.00 H new ATOM 0 HA GLU A 129 9.724 -9.581 -2.910 1.00 0.00 H new ATOM 0 HB2 GLU A 129 10.729 -11.967 -3.409 1.00 0.00 H new ATOM 0 HB3 GLU A 129 9.533 -12.019 -4.689 1.00 0.00 H new ATOM 0 HG2 GLU A 129 10.472 -9.876 -5.596 1.00 0.00 H new ATOM 0 HG3 GLU A 129 11.716 -9.933 -4.362 1.00 0.00 H new ATOM 1888 N LEU A 130 7.850 -8.711 -4.218 1.00 0.00 N ATOM 1889 CA LEU A 130 6.759 -8.110 -4.985 1.00 0.00 C ATOM 1890 C LEU A 130 7.319 -7.104 -5.989 1.00 0.00 C ATOM 1891 O LEU A 130 8.115 -6.235 -5.625 1.00 0.00 O ATOM 1892 CB LEU A 130 5.756 -7.429 -4.036 1.00 0.00 C ATOM 1893 CG LEU A 130 4.395 -7.055 -4.647 1.00 0.00 C ATOM 1894 CD1 LEU A 130 3.425 -8.227 -4.574 1.00 0.00 C ATOM 1895 CD2 LEU A 130 3.814 -5.837 -3.943 1.00 0.00 C ATOM 0 H LEU A 130 8.498 -8.031 -3.820 1.00 0.00 H new ATOM 0 HA LEU A 130 6.236 -8.893 -5.534 1.00 0.00 H new ATOM 0 HB2 LEU A 130 5.581 -8.092 -3.188 1.00 0.00 H new ATOM 0 HB3 LEU A 130 6.216 -6.523 -3.643 1.00 0.00 H new ATOM 0 HG LEU A 130 4.550 -6.809 -5.698 1.00 0.00 H new ATOM 0 HD11 LEU A 130 2.470 -7.937 -5.012 1.00 0.00 H new ATOM 0 HD12 LEU A 130 3.835 -9.073 -5.125 1.00 0.00 H new ATOM 0 HD13 LEU A 130 3.275 -8.511 -3.532 1.00 0.00 H new ATOM 0 HD21 LEU A 130 2.851 -5.585 -4.387 1.00 0.00 H new ATOM 0 HD22 LEU A 130 3.679 -6.059 -2.884 1.00 0.00 H new ATOM 0 HD23 LEU A 130 4.496 -4.994 -4.053 1.00 0.00 H new ATOM 1907 N PHE A 131 6.893 -7.233 -7.264 1.00 0.00 N ATOM 1908 CA PHE A 131 7.330 -6.347 -8.374 1.00 0.00 C ATOM 1909 C PHE A 131 8.852 -6.443 -8.640 1.00 0.00 C ATOM 1910 O PHE A 131 9.425 -5.599 -9.340 1.00 0.00 O ATOM 1911 CB PHE A 131 6.922 -4.882 -8.108 1.00 0.00 C ATOM 1912 CG PHE A 131 6.516 -4.132 -9.348 1.00 0.00 C ATOM 1913 CD1 PHE A 131 7.456 -3.439 -10.092 1.00 0.00 C ATOM 1914 CD2 PHE A 131 5.194 -4.123 -9.768 1.00 0.00 C ATOM 1915 CE1 PHE A 131 7.088 -2.750 -11.232 1.00 0.00 C ATOM 1916 CE2 PHE A 131 4.821 -3.435 -10.908 1.00 0.00 C ATOM 1917 CZ PHE A 131 5.769 -2.748 -11.640 1.00 0.00 C ATOM 0 H PHE A 131 6.235 -7.955 -7.557 1.00 0.00 H new ATOM 0 HA PHE A 131 6.820 -6.696 -9.272 1.00 0.00 H new ATOM 0 HB2 PHE A 131 6.095 -4.868 -7.398 1.00 0.00 H new ATOM 0 HB3 PHE A 131 7.756 -4.362 -7.636 1.00 0.00 H new ATOM 0 HD1 PHE A 131 8.489 -3.437 -9.778 1.00 0.00 H new ATOM 0 HD2 PHE A 131 4.449 -4.659 -9.199 1.00 0.00 H new ATOM 0 HE1 PHE A 131 7.831 -2.214 -11.803 1.00 0.00 H new ATOM 0 HE2 PHE A 131 3.789 -3.435 -11.226 1.00 0.00 H new ATOM 0 HZ PHE A 131 5.479 -2.210 -12.530 1.00 0.00 H new ATOM 1927 N GLY A 132 9.486 -7.490 -8.091 1.00 0.00 N ATOM 1928 CA GLY A 132 10.921 -7.696 -8.269 1.00 0.00 C ATOM 1929 C GLY A 132 11.755 -7.187 -7.100 1.00 0.00 C ATOM 1930 O GLY A 132 12.988 -7.221 -7.160 1.00 0.00 O ATOM 0 H GLY A 132 9.025 -8.201 -7.523 1.00 0.00 H new ATOM 0 HA2 GLY A 132 11.113 -8.760 -8.407 1.00 0.00 H new ATOM 0 HA3 GLY A 132 11.242 -7.193 -9.181 1.00 0.00 H new ATOM 1934 N ARG A 133 11.084 -6.716 -6.041 1.00 0.00 N ATOM 1935 CA ARG A 133 11.763 -6.196 -4.848 1.00 0.00 C ATOM 1936 C ARG A 133 11.238 -6.869 -3.583 1.00 0.00 C ATOM 1937 O ARG A 133 10.096 -7.334 -3.551 1.00 0.00 O ATOM 1938 CB ARG A 133 11.566 -4.679 -4.730 1.00 0.00 C ATOM 1939 CG ARG A 133 12.248 -3.867 -5.824 1.00 0.00 C ATOM 1940 CD ARG A 133 12.077 -2.374 -5.591 1.00 0.00 C ATOM 1941 NE ARG A 133 12.981 -1.867 -4.549 1.00 0.00 N ATOM 1942 CZ ARG A 133 13.692 -0.734 -4.638 1.00 0.00 C ATOM 1943 NH1 ARG A 133 13.628 0.039 -5.721 1.00 0.00 N ATOM 1944 NH2 ARG A 133 14.476 -0.373 -3.631 1.00 0.00 N ATOM 0 H ARG A 133 10.066 -6.685 -5.987 1.00 0.00 H new ATOM 0 HA ARG A 133 12.825 -6.416 -4.954 1.00 0.00 H new ATOM 0 HB2 ARG A 133 10.498 -4.462 -4.746 1.00 0.00 H new ATOM 0 HB3 ARG A 133 11.944 -4.350 -3.762 1.00 0.00 H new ATOM 0 HG2 ARG A 133 13.309 -4.113 -5.855 1.00 0.00 H new ATOM 0 HG3 ARG A 133 11.830 -4.136 -6.794 1.00 0.00 H new ATOM 0 HD2 ARG A 133 12.263 -1.839 -6.522 1.00 0.00 H new ATOM 0 HD3 ARG A 133 11.045 -2.168 -5.306 1.00 0.00 H new ATOM 0 HE ARG A 133 13.074 -2.418 -3.695 1.00 0.00 H new ATOM 0 HH11 ARG A 133 13.030 -0.227 -6.503 1.00 0.00 H new ATOM 0 HH12 ARG A 133 14.177 0.897 -5.768 1.00 0.00 H new ATOM 0 HH21 ARG A 133 14.535 -0.956 -2.796 1.00 0.00 H new ATOM 0 HH22 ARG A 133 15.020 0.488 -3.691 1.00 0.00 H new ATOM 1958 N THR A 134 12.080 -6.910 -2.539 1.00 0.00 N ATOM 1959 CA THR A 134 11.703 -7.507 -1.252 1.00 0.00 C ATOM 1960 C THR A 134 10.921 -6.486 -0.418 1.00 0.00 C ATOM 1961 O THR A 134 11.320 -5.321 -0.324 1.00 0.00 O ATOM 1962 CB THR A 134 12.944 -7.988 -0.453 1.00 0.00 C ATOM 1963 OG1 THR A 134 13.963 -8.447 -1.351 1.00 0.00 O ATOM 1964 CG2 THR A 134 12.581 -9.120 0.508 1.00 0.00 C ATOM 0 H THR A 134 13.028 -6.535 -2.563 1.00 0.00 H new ATOM 0 HA THR A 134 11.080 -8.377 -1.460 1.00 0.00 H new ATOM 0 HB THR A 134 13.312 -7.141 0.125 1.00 0.00 H new ATOM 0 HG1 THR A 134 14.742 -8.746 -0.837 1.00 0.00 H new ATOM 0 HG21 THR A 134 13.471 -9.435 1.053 1.00 0.00 H new ATOM 0 HG22 THR A 134 11.828 -8.770 1.214 1.00 0.00 H new ATOM 0 HG23 THR A 134 12.184 -9.964 -0.057 1.00 0.00 H new ATOM 1972 N ILE A 135 9.815 -6.935 0.180 1.00 0.00 N ATOM 1973 CA ILE A 135 8.963 -6.054 0.985 1.00 0.00 C ATOM 1974 C ILE A 135 8.851 -6.529 2.436 1.00 0.00 C ATOM 1975 O ILE A 135 9.058 -7.709 2.735 1.00 0.00 O ATOM 1976 CB ILE A 135 7.534 -5.890 0.373 1.00 0.00 C ATOM 1977 CG1 ILE A 135 6.849 -7.254 0.125 1.00 0.00 C ATOM 1978 CG2 ILE A 135 7.602 -5.080 -0.923 1.00 0.00 C ATOM 1979 CD1 ILE A 135 5.357 -7.257 0.404 1.00 0.00 C ATOM 0 H ILE A 135 9.489 -7.900 0.123 1.00 0.00 H new ATOM 0 HA ILE A 135 9.454 -5.081 0.976 1.00 0.00 H new ATOM 0 HB ILE A 135 6.926 -5.351 1.099 1.00 0.00 H new ATOM 0 HG12 ILE A 135 7.015 -7.549 -0.911 1.00 0.00 H new ATOM 0 HG13 ILE A 135 7.327 -8.008 0.751 1.00 0.00 H new ATOM 0 HG21 ILE A 135 6.600 -4.973 -1.338 1.00 0.00 H new ATOM 0 HG22 ILE A 135 8.015 -4.093 -0.714 1.00 0.00 H new ATOM 0 HG23 ILE A 135 8.240 -5.595 -1.641 1.00 0.00 H new ATOM 0 HD11 ILE A 135 4.952 -8.249 0.206 1.00 0.00 H new ATOM 0 HD12 ILE A 135 5.181 -6.995 1.447 1.00 0.00 H new ATOM 0 HD13 ILE A 135 4.865 -6.529 -0.241 1.00 0.00 H new ATOM 1991 N ARG A 136 8.524 -5.583 3.322 1.00 0.00 N ATOM 1992 CA ARG A 136 8.358 -5.861 4.749 1.00 0.00 C ATOM 1993 C ARG A 136 6.991 -5.374 5.226 1.00 0.00 C ATOM 1994 O ARG A 136 6.596 -4.247 4.915 1.00 0.00 O ATOM 1995 CB ARG A 136 9.482 -5.209 5.568 1.00 0.00 C ATOM 1996 CG ARG A 136 9.571 -3.691 5.454 1.00 0.00 C ATOM 1997 CD ARG A 136 10.923 -3.210 5.914 1.00 0.00 C ATOM 1998 NE ARG A 136 11.085 -1.761 5.752 1.00 0.00 N ATOM 1999 CZ ARG A 136 12.173 -1.068 6.120 1.00 0.00 C ATOM 2000 NH1 ARG A 136 13.218 -1.674 6.683 1.00 0.00 N ATOM 2001 NH2 ARG A 136 12.212 0.242 5.923 1.00 0.00 N ATOM 0 H ARG A 136 8.368 -4.607 3.070 1.00 0.00 H new ATOM 0 HA ARG A 136 8.415 -6.939 4.899 1.00 0.00 H new ATOM 0 HB2 ARG A 136 9.345 -5.471 6.617 1.00 0.00 H new ATOM 0 HB3 ARG A 136 10.434 -5.637 5.254 1.00 0.00 H new ATOM 0 HG2 ARG A 136 9.401 -3.387 4.421 1.00 0.00 H new ATOM 0 HG3 ARG A 136 8.789 -3.228 6.055 1.00 0.00 H new ATOM 0 HD2 ARG A 136 11.062 -3.474 6.962 1.00 0.00 H new ATOM 0 HD3 ARG A 136 11.700 -3.725 5.350 1.00 0.00 H new ATOM 0 HE ARG A 136 10.315 -1.243 5.329 1.00 0.00 H new ATOM 0 HH11 ARG A 136 13.199 -2.682 6.841 1.00 0.00 H new ATOM 0 HH12 ARG A 136 14.037 -1.130 6.956 1.00 0.00 H new ATOM 0 HH21 ARG A 136 11.418 0.717 5.494 1.00 0.00 H new ATOM 0 HH22 ARG A 136 13.036 0.775 6.200 1.00 0.00 H new ATOM 2015 N VAL A 137 6.273 -6.218 5.974 1.00 0.00 N ATOM 2016 CA VAL A 137 4.953 -5.835 6.481 1.00 0.00 C ATOM 2017 C VAL A 137 4.850 -6.081 7.992 1.00 0.00 C ATOM 2018 O VAL A 137 5.355 -7.084 8.503 1.00 0.00 O ATOM 2019 CB VAL A 137 3.766 -6.528 5.713 1.00 0.00 C ATOM 2020 CG1 VAL A 137 4.104 -6.809 4.253 1.00 0.00 C ATOM 2021 CG2 VAL A 137 3.288 -7.802 6.384 1.00 0.00 C ATOM 0 H VAL A 137 6.577 -7.155 6.238 1.00 0.00 H new ATOM 0 HA VAL A 137 4.854 -4.766 6.294 1.00 0.00 H new ATOM 0 HB VAL A 137 2.950 -5.806 5.747 1.00 0.00 H new ATOM 0 HG11 VAL A 137 3.253 -7.287 3.768 1.00 0.00 H new ATOM 0 HG12 VAL A 137 4.331 -5.872 3.745 1.00 0.00 H new ATOM 0 HG13 VAL A 137 4.970 -7.469 4.201 1.00 0.00 H new ATOM 0 HG21 VAL A 137 2.469 -8.232 5.807 1.00 0.00 H new ATOM 0 HG22 VAL A 137 4.110 -8.516 6.436 1.00 0.00 H new ATOM 0 HG23 VAL A 137 2.941 -7.574 7.392 1.00 0.00 H new ATOM 2031 N ASN A 138 4.199 -5.141 8.687 1.00 0.00 N ATOM 2032 CA ASN A 138 4.000 -5.216 10.140 1.00 0.00 C ATOM 2033 C ASN A 138 2.632 -4.638 10.523 1.00 0.00 C ATOM 2034 O ASN A 138 1.953 -4.040 9.686 1.00 0.00 O ATOM 2035 CB ASN A 138 5.117 -4.458 10.881 1.00 0.00 C ATOM 2036 CG ASN A 138 6.473 -5.133 10.760 1.00 0.00 C ATOM 2037 OD1 ASN A 138 7.367 -4.635 10.076 1.00 0.00 O ATOM 2038 ND2 ASN A 138 6.634 -6.268 11.432 1.00 0.00 N ATOM 0 H ASN A 138 3.796 -4.308 8.259 1.00 0.00 H new ATOM 0 HA ASN A 138 4.035 -6.265 10.435 1.00 0.00 H new ATOM 0 HB2 ASN A 138 5.185 -3.445 10.486 1.00 0.00 H new ATOM 0 HB3 ASN A 138 4.853 -4.372 11.935 1.00 0.00 H new ATOM 0 HD21 ASN A 138 7.526 -6.762 11.393 1.00 0.00 H new ATOM 0 HD22 ASN A 138 5.866 -6.645 11.987 1.00 0.00 H new ATOM 2045 N LEU A 139 2.230 -4.824 11.792 1.00 0.00 N ATOM 2046 CA LEU A 139 0.950 -4.305 12.297 1.00 0.00 C ATOM 2047 C LEU A 139 0.987 -2.777 12.433 1.00 0.00 C ATOM 2048 O LEU A 139 1.813 -2.228 13.172 1.00 0.00 O ATOM 2049 CB LEU A 139 0.618 -4.942 13.654 1.00 0.00 C ATOM 2050 CG LEU A 139 -0.425 -6.063 13.624 1.00 0.00 C ATOM 2051 CD1 LEU A 139 -0.089 -7.128 14.655 1.00 0.00 C ATOM 2052 CD2 LEU A 139 -1.819 -5.504 13.877 1.00 0.00 C ATOM 0 H LEU A 139 2.776 -5.332 12.488 1.00 0.00 H new ATOM 0 HA LEU A 139 0.174 -4.566 11.577 1.00 0.00 H new ATOM 0 HB2 LEU A 139 1.538 -5.338 14.083 1.00 0.00 H new ATOM 0 HB3 LEU A 139 0.264 -4.159 14.325 1.00 0.00 H new ATOM 0 HG LEU A 139 -0.410 -6.519 12.634 1.00 0.00 H new ATOM 0 HD11 LEU A 139 -0.840 -7.917 14.621 1.00 0.00 H new ATOM 0 HD12 LEU A 139 0.892 -7.550 14.436 1.00 0.00 H new ATOM 0 HD13 LEU A 139 -0.077 -6.681 15.649 1.00 0.00 H new ATOM 0 HD21 LEU A 139 -2.546 -6.315 13.852 1.00 0.00 H new ATOM 0 HD22 LEU A 139 -1.846 -5.023 14.855 1.00 0.00 H new ATOM 0 HD23 LEU A 139 -2.064 -4.773 13.106 1.00 0.00 H new ATOM 2064 N ALA A 140 0.089 -2.107 11.704 1.00 0.00 N ATOM 2065 CA ALA A 140 -0.001 -0.647 11.718 1.00 0.00 C ATOM 2066 C ALA A 140 -1.196 -0.179 12.541 1.00 0.00 C ATOM 2067 CB ALA A 140 -0.096 -0.112 10.293 1.00 0.00 C ATOM 0 H ALA A 140 -0.591 -2.559 11.092 1.00 0.00 H new ATOM 0 HA ALA A 140 0.903 -0.255 12.184 1.00 0.00 H new ATOM 0 HB1 ALA A 140 -0.163 0.976 10.316 1.00 0.00 H new ATOM 0 HB2 ALA A 140 0.791 -0.409 9.733 1.00 0.00 H new ATOM 0 HB3 ALA A 140 -0.984 -0.519 9.810 1.00 0.00 H new