USER MOD reduce.3.24.130724 H: found=0, std=0, add=510, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 511 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 63 SER OG : rot -56:sc= 1.15 USER MOD Set 1.2: A 66 ASN : amide:sc= 0.938 K(o=2.1,f=-4!) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 GLN : amide:sc= -0.787 K(o=-0.79,f=-2.9!) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot -74:sc= 0.374 USER MOD Single : A 77 HIS : no HD1:sc= -1.97 K(o=-2,f=-4.3!) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 TYR OH : rot 166:sc= 0.0274 USER MOD Single : A 101 ASN : amide:sc= -1.49 K(o=-1.5,f=-6.4!) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 113 THR OG1 : rot 180:sc= 0 USER MOD Single : A 126 SER OG : rot 180:sc= 0 USER MOD Single : A 132 SER OG : rot 180:sc= 0 USER MOD Single : A 133 THR OG1 : rot 180:sc= 0 USER MOD Single : A 134 THR OG1 : rot 81:sc= -0.516 USER MOD Single : A 136 ASN : amide:sc= -0.0114 K(o=-0.011,f=-1.4) USER MOD ----------------------------------------------------------------- ATOM 919 N LYS A 59 108.659 16.005 -8.626 1.00 0.00 N ATOM 920 CA LYS A 59 109.030 15.746 -7.234 1.00 0.00 C ATOM 921 C LYS A 59 107.817 15.410 -6.364 1.00 0.00 C ATOM 922 O LYS A 59 106.730 15.957 -6.554 1.00 0.00 O ATOM 923 CB LYS A 59 109.739 16.977 -6.660 1.00 0.00 C ATOM 924 CG LYS A 59 110.285 16.661 -5.266 1.00 0.00 C ATOM 925 CD LYS A 59 110.917 17.920 -4.668 1.00 0.00 C ATOM 926 CE LYS A 59 111.601 17.569 -3.345 1.00 0.00 C ATOM 927 NZ LYS A 59 112.417 18.728 -2.885 1.00 0.00 N ATOM 0 HA LYS A 59 109.693 14.881 -7.225 1.00 0.00 H new ATOM 0 HB2 LYS A 59 110.553 17.279 -7.319 1.00 0.00 H new ATOM 0 HB3 LYS A 59 109.045 17.815 -6.607 1.00 0.00 H new ATOM 0 HG2 LYS A 59 109.482 16.303 -4.622 1.00 0.00 H new ATOM 0 HG3 LYS A 59 111.025 15.863 -5.326 1.00 0.00 H new ATOM 0 HD2 LYS A 59 111.642 18.341 -5.364 1.00 0.00 H new ATOM 0 HD3 LYS A 59 110.153 18.680 -4.504 1.00 0.00 H new ATOM 0 HE2 LYS A 59 110.854 17.315 -2.593 1.00 0.00 H new ATOM 0 HE3 LYS A 59 112.235 16.692 -3.473 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 112.882 18.490 -1.986 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 113.139 18.950 -3.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 111.800 19.554 -2.748 1.00 0.00 H new ATOM 941 N GLN A 60 108.019 14.503 -5.408 1.00 0.00 N ATOM 942 CA GLN A 60 107.002 14.210 -4.397 1.00 0.00 C ATOM 943 C GLN A 60 107.648 13.800 -3.079 1.00 0.00 C ATOM 944 O GLN A 60 108.754 13.261 -3.057 1.00 0.00 O ATOM 945 CB GLN A 60 106.069 13.080 -4.841 1.00 0.00 C ATOM 946 CG GLN A 60 105.205 13.542 -6.011 1.00 0.00 C ATOM 947 CD GLN A 60 104.156 12.481 -6.332 1.00 0.00 C ATOM 948 OE1 GLN A 60 104.438 11.539 -7.074 1.00 0.00 O ATOM 949 NE2 GLN A 60 102.962 12.558 -5.802 1.00 0.00 N ATOM 0 H GLN A 60 108.876 13.959 -5.312 1.00 0.00 H new ATOM 0 HA GLN A 60 106.424 15.125 -4.266 1.00 0.00 H new ATOM 0 HB2 GLN A 60 106.654 12.208 -5.133 1.00 0.00 H new ATOM 0 HB3 GLN A 60 105.435 12.774 -4.009 1.00 0.00 H new ATOM 0 HG2 GLN A 60 104.717 14.485 -5.764 1.00 0.00 H new ATOM 0 HG3 GLN A 60 105.829 13.725 -6.886 1.00 0.00 H new ATOM 0 HE21 GLN A 60 102.726 13.337 -5.187 1.00 0.00 H new ATOM 0 HE22 GLN A 60 102.267 11.839 -6.004 1.00 0.00 H new ATOM 958 N ASP A 61 106.944 14.047 -1.979 1.00 0.00 N ATOM 959 CA ASP A 61 107.384 13.557 -0.678 1.00 0.00 C ATOM 960 C ASP A 61 106.745 12.197 -0.410 1.00 0.00 C ATOM 961 O ASP A 61 105.526 12.054 -0.496 1.00 0.00 O ATOM 962 CB ASP A 61 106.983 14.544 0.421 1.00 0.00 C ATOM 963 CG ASP A 61 107.680 15.887 0.215 1.00 0.00 C ATOM 964 OD1 ASP A 61 108.785 15.893 -0.305 1.00 0.00 O ATOM 965 OD2 ASP A 61 107.096 16.894 0.581 1.00 0.00 O ATOM 0 H ASP A 61 106.074 14.579 -1.962 1.00 0.00 H new ATOM 0 HA ASP A 61 108.469 13.458 -0.680 1.00 0.00 H new ATOM 0 HB2 ASP A 61 105.902 14.684 0.415 1.00 0.00 H new ATOM 0 HB3 ASP A 61 107.246 14.137 1.397 1.00 0.00 H new ATOM 970 N ILE A 62 107.564 11.197 -0.089 1.00 0.00 N ATOM 971 CA ILE A 62 107.059 9.837 0.099 1.00 0.00 C ATOM 972 C ILE A 62 107.499 9.282 1.457 1.00 0.00 C ATOM 973 O ILE A 62 108.600 9.582 1.921 1.00 0.00 O ATOM 974 CB ILE A 62 107.552 8.963 -1.066 1.00 0.00 C ATOM 975 CG1 ILE A 62 106.811 7.626 -1.049 1.00 0.00 C ATOM 976 CG2 ILE A 62 109.064 8.722 -0.991 1.00 0.00 C ATOM 977 CD1 ILE A 62 105.398 7.815 -1.613 1.00 0.00 C ATOM 0 H ILE A 62 108.570 11.300 0.045 1.00 0.00 H new ATOM 0 HA ILE A 62 105.969 9.838 0.098 1.00 0.00 H new ATOM 0 HB ILE A 62 107.346 9.491 -1.997 1.00 0.00 H new ATOM 0 HG12 ILE A 62 107.355 6.890 -1.641 1.00 0.00 H new ATOM 0 HG13 ILE A 62 106.759 7.240 -0.031 1.00 0.00 H new ATOM 0 HG21 ILE A 62 109.375 8.101 -1.831 1.00 0.00 H new ATOM 0 HG22 ILE A 62 109.587 9.677 -1.033 1.00 0.00 H new ATOM 0 HG23 ILE A 62 109.306 8.217 -0.056 1.00 0.00 H new ATOM 0 HD11 ILE A 62 104.871 6.861 -1.600 1.00 0.00 H new ATOM 0 HD12 ILE A 62 104.856 8.537 -1.002 1.00 0.00 H new ATOM 0 HD13 ILE A 62 105.461 8.181 -2.638 1.00 0.00 H new ATOM 989 N SER A 63 106.652 8.465 2.087 1.00 0.00 N ATOM 990 CA SER A 63 106.948 7.993 3.438 1.00 0.00 C ATOM 991 C SER A 63 106.352 6.615 3.719 1.00 0.00 C ATOM 992 O SER A 63 105.428 6.158 3.041 1.00 0.00 O ATOM 993 CB SER A 63 106.414 8.992 4.465 1.00 0.00 C ATOM 994 OG SER A 63 104.995 8.924 4.491 1.00 0.00 O ATOM 0 H SER A 63 105.775 8.124 1.693 1.00 0.00 H new ATOM 0 HA SER A 63 108.032 7.908 3.517 1.00 0.00 H new ATOM 0 HB2 SER A 63 106.819 8.768 5.452 1.00 0.00 H new ATOM 0 HB3 SER A 63 106.737 10.001 4.210 1.00 0.00 H new ATOM 0 HG SER A 63 104.643 9.083 3.590 1.00 0.00 H new ATOM 1000 N GLU A 64 106.882 5.968 4.753 1.00 0.00 N ATOM 1001 CA GLU A 64 106.417 4.647 5.152 1.00 0.00 C ATOM 1002 C GLU A 64 104.913 4.639 5.420 1.00 0.00 C ATOM 1003 O GLU A 64 104.233 3.661 5.118 1.00 0.00 O ATOM 1004 CB GLU A 64 107.169 4.194 6.408 1.00 0.00 C ATOM 1005 CG GLU A 64 106.912 5.174 7.560 1.00 0.00 C ATOM 1006 CD GLU A 64 107.734 4.821 8.805 1.00 0.00 C ATOM 1007 OE1 GLU A 64 108.396 3.793 8.815 1.00 0.00 O ATOM 1008 OE2 GLU A 64 107.683 5.595 9.747 1.00 0.00 O ATOM 0 H GLU A 64 107.636 6.340 5.330 1.00 0.00 H new ATOM 0 HA GLU A 64 106.615 3.957 4.332 1.00 0.00 H new ATOM 0 HB2 GLU A 64 106.846 3.193 6.693 1.00 0.00 H new ATOM 0 HB3 GLU A 64 108.238 4.137 6.201 1.00 0.00 H new ATOM 0 HG2 GLU A 64 107.158 6.186 7.238 1.00 0.00 H new ATOM 0 HG3 GLU A 64 105.851 5.168 7.812 1.00 0.00 H new ATOM 1015 N ALA A 65 104.390 5.737 5.958 1.00 0.00 N ATOM 1016 CA ALA A 65 102.979 5.793 6.327 1.00 0.00 C ATOM 1017 C ALA A 65 102.086 5.527 5.119 1.00 0.00 C ATOM 1018 O ALA A 65 101.103 4.792 5.216 1.00 0.00 O ATOM 1019 CB ALA A 65 102.646 7.167 6.910 1.00 0.00 C ATOM 0 H ALA A 65 104.915 6.591 6.147 1.00 0.00 H new ATOM 0 HA ALA A 65 102.795 5.021 7.074 1.00 0.00 H new ATOM 0 HB1 ALA A 65 101.591 7.201 7.183 1.00 0.00 H new ATOM 0 HB2 ALA A 65 103.256 7.344 7.796 1.00 0.00 H new ATOM 0 HB3 ALA A 65 102.853 7.937 6.167 1.00 0.00 H new ATOM 1025 N ASN A 66 102.429 6.127 3.984 1.00 0.00 N ATOM 1026 CA ASN A 66 101.592 6.012 2.793 1.00 0.00 C ATOM 1027 C ASN A 66 101.676 4.609 2.197 1.00 0.00 C ATOM 1028 O ASN A 66 100.658 4.007 1.857 1.00 0.00 O ATOM 1029 CB ASN A 66 102.022 7.024 1.725 1.00 0.00 C ATOM 1030 CG ASN A 66 102.158 8.429 2.311 1.00 0.00 C ATOM 1031 OD1 ASN A 66 103.253 8.836 2.697 1.00 0.00 O ATOM 1032 ND2 ASN A 66 101.110 9.199 2.390 1.00 0.00 N ATOM 0 H ASN A 66 103.270 6.691 3.863 1.00 0.00 H new ATOM 0 HA ASN A 66 100.566 6.215 3.100 1.00 0.00 H new ATOM 0 HB2 ASN A 66 102.973 6.715 1.291 1.00 0.00 H new ATOM 0 HB3 ASN A 66 101.291 7.035 0.916 1.00 0.00 H new ATOM 0 HD21 ASN A 66 101.197 10.141 2.772 1.00 0.00 H new ATOM 0 HD22 ASN A 66 100.203 8.860 2.070 1.00 0.00 H new ATOM 1039 N LEU A 67 102.895 4.095 2.065 1.00 0.00 N ATOM 1040 CA LEU A 67 103.103 2.794 1.431 1.00 0.00 C ATOM 1041 C LEU A 67 102.645 1.625 2.304 1.00 0.00 C ATOM 1042 O LEU A 67 102.320 0.559 1.782 1.00 0.00 O ATOM 1043 CB LEU A 67 104.578 2.618 1.058 1.00 0.00 C ATOM 1044 CG LEU A 67 104.868 3.384 -0.236 1.00 0.00 C ATOM 1045 CD1 LEU A 67 104.942 4.881 0.066 1.00 0.00 C ATOM 1046 CD2 LEU A 67 106.193 2.909 -0.844 1.00 0.00 C ATOM 0 H LEU A 67 103.748 4.553 2.385 1.00 0.00 H new ATOM 0 HA LEU A 67 102.487 2.782 0.532 1.00 0.00 H new ATOM 0 HB2 LEU A 67 105.215 2.986 1.862 1.00 0.00 H new ATOM 0 HB3 LEU A 67 104.808 1.561 0.928 1.00 0.00 H new ATOM 0 HG LEU A 67 104.067 3.197 -0.951 1.00 0.00 H new ATOM 0 HD11 LEU A 67 105.148 5.428 -0.854 1.00 0.00 H new ATOM 0 HD12 LEU A 67 103.992 5.216 0.482 1.00 0.00 H new ATOM 0 HD13 LEU A 67 105.739 5.068 0.786 1.00 0.00 H new ATOM 0 HD21 LEU A 67 106.390 3.460 -1.764 1.00 0.00 H new ATOM 0 HD22 LEU A 67 107.002 3.085 -0.135 1.00 0.00 H new ATOM 0 HD23 LEU A 67 106.130 1.844 -1.066 1.00 0.00 H new ATOM 1058 N ALA A 68 102.629 1.810 3.625 1.00 0.00 N ATOM 1059 CA ALA A 68 102.270 0.735 4.551 1.00 0.00 C ATOM 1060 C ALA A 68 103.391 -0.318 4.555 1.00 0.00 C ATOM 1061 O ALA A 68 104.549 0.043 4.351 1.00 0.00 O ATOM 1062 CB ALA A 68 100.895 0.148 4.184 1.00 0.00 C ATOM 0 H ALA A 68 102.861 2.694 4.078 1.00 0.00 H new ATOM 0 HA ALA A 68 102.175 1.122 5.566 1.00 0.00 H new ATOM 0 HB1 ALA A 68 100.642 -0.650 4.882 1.00 0.00 H new ATOM 0 HB2 ALA A 68 100.139 0.931 4.239 1.00 0.00 H new ATOM 0 HB3 ALA A 68 100.929 -0.253 3.171 1.00 0.00 H new ATOM 1068 N TYR A 69 103.082 -1.604 4.752 1.00 0.00 N ATOM 1069 CA TYR A 69 104.124 -2.632 4.831 1.00 0.00 C ATOM 1070 C TYR A 69 105.024 -2.647 3.589 1.00 0.00 C ATOM 1071 O TYR A 69 106.150 -3.143 3.644 1.00 0.00 O ATOM 1072 CB TYR A 69 103.478 -4.007 5.002 1.00 0.00 C ATOM 1073 CG TYR A 69 102.692 -4.145 6.285 1.00 0.00 C ATOM 1074 CD1 TYR A 69 103.356 -4.432 7.485 1.00 0.00 C ATOM 1075 CD2 TYR A 69 101.301 -3.988 6.275 1.00 0.00 C ATOM 1076 CE1 TYR A 69 102.629 -4.561 8.673 1.00 0.00 C ATOM 1077 CE2 TYR A 69 100.574 -4.117 7.464 1.00 0.00 C ATOM 1078 CZ TYR A 69 101.237 -4.404 8.664 1.00 0.00 C ATOM 1079 OH TYR A 69 100.521 -4.532 9.836 1.00 0.00 O ATOM 0 H TYR A 69 102.130 -1.955 4.859 1.00 0.00 H new ATOM 0 HA TYR A 69 104.750 -2.394 5.691 1.00 0.00 H new ATOM 0 HB2 TYR A 69 102.816 -4.197 4.157 1.00 0.00 H new ATOM 0 HB3 TYR A 69 104.255 -4.771 4.977 1.00 0.00 H new ATOM 0 HD1 TYR A 69 104.429 -4.554 7.493 1.00 0.00 H new ATOM 0 HD2 TYR A 69 100.789 -3.767 5.350 1.00 0.00 H new ATOM 0 HE1 TYR A 69 103.141 -4.782 9.598 1.00 0.00 H new ATOM 0 HE2 TYR A 69 99.501 -3.995 7.456 1.00 0.00 H new ATOM 0 HH TYR A 69 99.568 -4.392 9.654 1.00 0.00 H new ATOM 1089 N LEU A 70 104.535 -2.109 2.473 1.00 0.00 N ATOM 1090 CA LEU A 70 105.305 -2.085 1.229 1.00 0.00 C ATOM 1091 C LEU A 70 106.635 -1.340 1.385 1.00 0.00 C ATOM 1092 O LEU A 70 107.582 -1.600 0.642 1.00 0.00 O ATOM 1093 CB LEU A 70 104.480 -1.423 0.122 1.00 0.00 C ATOM 1094 CG LEU A 70 103.157 -2.169 -0.066 1.00 0.00 C ATOM 1095 CD1 LEU A 70 102.301 -1.433 -1.100 1.00 0.00 C ATOM 1096 CD2 LEU A 70 103.429 -3.591 -0.563 1.00 0.00 C ATOM 0 H LEU A 70 103.610 -1.684 2.404 1.00 0.00 H new ATOM 0 HA LEU A 70 105.531 -3.119 0.967 1.00 0.00 H new ATOM 0 HB2 LEU A 70 104.286 -0.381 0.376 1.00 0.00 H new ATOM 0 HB3 LEU A 70 105.043 -1.424 -0.812 1.00 0.00 H new ATOM 0 HG LEU A 70 102.632 -2.212 0.888 1.00 0.00 H new ATOM 0 HD11 LEU A 70 101.358 -1.963 -1.235 1.00 0.00 H new ATOM 0 HD12 LEU A 70 102.101 -0.420 -0.752 1.00 0.00 H new ATOM 0 HD13 LEU A 70 102.834 -1.392 -2.050 1.00 0.00 H new ATOM 0 HD21 LEU A 70 102.484 -4.117 -0.695 1.00 0.00 H new ATOM 0 HD22 LEU A 70 103.957 -3.549 -1.516 1.00 0.00 H new ATOM 0 HD23 LEU A 70 104.040 -4.121 0.167 1.00 0.00 H new ATOM 1108 N TRP A 71 106.711 -0.416 2.342 1.00 0.00 N ATOM 1109 CA TRP A 71 107.913 0.389 2.534 1.00 0.00 C ATOM 1110 C TRP A 71 109.136 -0.516 2.742 1.00 0.00 C ATOM 1111 O TRP A 71 109.230 -1.164 3.787 1.00 0.00 O ATOM 1112 CB TRP A 71 107.731 1.268 3.771 1.00 0.00 C ATOM 1113 CG TRP A 71 108.709 2.395 3.855 1.00 0.00 C ATOM 1114 CD1 TRP A 71 109.678 2.511 4.790 1.00 0.00 C ATOM 1115 CD2 TRP A 71 108.833 3.564 2.991 1.00 0.00 C ATOM 1116 NE1 TRP A 71 110.374 3.683 4.568 1.00 0.00 N ATOM 1117 CE2 TRP A 71 109.900 4.365 3.466 1.00 0.00 C ATOM 1118 CE3 TRP A 71 108.130 4.004 1.858 1.00 0.00 C ATOM 1119 CZ2 TRP A 71 110.256 5.561 2.835 1.00 0.00 C ATOM 1120 CZ3 TRP A 71 108.485 5.203 1.220 1.00 0.00 C ATOM 1121 CH2 TRP A 71 109.544 5.980 1.707 1.00 0.00 C ATOM 0 H TRP A 71 105.955 -0.208 2.994 1.00 0.00 H new ATOM 0 HA TRP A 71 108.072 1.005 1.649 1.00 0.00 H new ATOM 0 HB2 TRP A 71 106.720 1.675 3.771 1.00 0.00 H new ATOM 0 HB3 TRP A 71 107.826 0.649 4.663 1.00 0.00 H new ATOM 0 HD1 TRP A 71 109.876 1.803 5.581 1.00 0.00 H new ATOM 0 HE1 TRP A 71 111.147 4.006 5.150 1.00 0.00 H new ATOM 0 HE3 TRP A 71 107.310 3.415 1.474 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 111.073 6.156 3.215 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 107.938 5.529 0.348 1.00 0.00 H new ATOM 0 HH2 TRP A 71 109.810 6.902 1.212 1.00 0.00 H new ATOM 1132 N PRO A 72 110.069 -0.592 1.813 1.00 0.00 N ATOM 1133 CA PRO A 72 111.226 -1.529 1.932 1.00 0.00 C ATOM 1134 C PRO A 72 112.441 -0.936 2.649 1.00 0.00 C ATOM 1135 O PRO A 72 113.372 -1.666 2.989 1.00 0.00 O ATOM 1136 CB PRO A 72 111.561 -1.832 0.474 1.00 0.00 C ATOM 1137 CG PRO A 72 111.257 -0.567 -0.255 1.00 0.00 C ATOM 1138 CD PRO A 72 110.170 0.158 0.543 1.00 0.00 C ATOM 0 HA PRO A 72 110.971 -2.400 2.536 1.00 0.00 H new ATOM 0 HB2 PRO A 72 112.608 -2.114 0.358 1.00 0.00 H new ATOM 0 HB3 PRO A 72 110.964 -2.661 0.094 1.00 0.00 H new ATOM 0 HG2 PRO A 72 112.150 0.052 -0.342 1.00 0.00 H new ATOM 0 HG3 PRO A 72 110.916 -0.778 -1.268 1.00 0.00 H new ATOM 0 HD2 PRO A 72 110.437 1.200 0.719 1.00 0.00 H new ATOM 0 HD3 PRO A 72 109.221 0.159 0.008 1.00 0.00 H new ATOM 1146 N LEU A 73 112.459 0.381 2.841 1.00 0.00 N ATOM 1147 CA LEU A 73 113.632 1.043 3.406 1.00 0.00 C ATOM 1148 C LEU A 73 113.569 1.112 4.928 1.00 0.00 C ATOM 1149 O LEU A 73 112.498 1.252 5.518 1.00 0.00 O ATOM 1150 CB LEU A 73 113.753 2.464 2.858 1.00 0.00 C ATOM 1151 CG LEU A 73 113.793 2.448 1.330 1.00 0.00 C ATOM 1152 CD1 LEU A 73 113.830 3.892 0.828 1.00 0.00 C ATOM 1153 CD2 LEU A 73 115.047 1.708 0.850 1.00 0.00 C ATOM 0 H LEU A 73 111.684 1.005 2.617 1.00 0.00 H new ATOM 0 HA LEU A 73 114.501 0.450 3.119 1.00 0.00 H new ATOM 0 HB2 LEU A 73 112.910 3.064 3.199 1.00 0.00 H new ATOM 0 HB3 LEU A 73 114.657 2.934 3.246 1.00 0.00 H new ATOM 0 HG LEU A 73 112.911 1.938 0.943 1.00 0.00 H new ATOM 0 HD11 LEU A 73 113.859 3.898 -0.262 1.00 0.00 H new ATOM 0 HD12 LEU A 73 112.939 4.419 1.170 1.00 0.00 H new ATOM 0 HD13 LEU A 73 114.718 4.390 1.217 1.00 0.00 H new ATOM 0 HD21 LEU A 73 115.070 1.700 -0.240 1.00 0.00 H new ATOM 0 HD22 LEU A 73 115.935 2.214 1.228 1.00 0.00 H new ATOM 0 HD23 LEU A 73 115.029 0.683 1.220 1.00 0.00 H new ATOM 1165 N THR A 74 114.739 1.009 5.550 1.00 0.00 N ATOM 1166 CA THR A 74 114.860 1.155 6.995 1.00 0.00 C ATOM 1167 C THR A 74 114.604 2.601 7.414 1.00 0.00 C ATOM 1168 O THR A 74 114.007 2.842 8.465 1.00 0.00 O ATOM 1169 CB THR A 74 116.259 0.731 7.451 1.00 0.00 C ATOM 1170 OG1 THR A 74 117.227 1.585 6.858 1.00 0.00 O ATOM 1171 CG2 THR A 74 116.524 -0.715 7.030 1.00 0.00 C ATOM 0 H THR A 74 115.621 0.824 5.072 1.00 0.00 H new ATOM 0 HA THR A 74 114.115 0.514 7.466 1.00 0.00 H new ATOM 0 HB THR A 74 116.324 0.805 8.537 1.00 0.00 H new ATOM 0 HG1 THR A 74 117.331 1.354 5.911 1.00 0.00 H new ATOM 0 HG21 THR A 74 117.521 -1.012 7.357 1.00 0.00 H new ATOM 0 HG22 THR A 74 115.782 -1.369 7.488 1.00 0.00 H new ATOM 0 HG23 THR A 74 116.459 -0.796 5.945 1.00 0.00 H new ATOM 1179 N VAL A 75 115.052 3.560 6.599 1.00 0.00 N ATOM 1180 CA VAL A 75 114.760 4.961 6.883 1.00 0.00 C ATOM 1181 C VAL A 75 113.261 5.172 6.743 1.00 0.00 C ATOM 1182 O VAL A 75 112.666 4.772 5.746 1.00 0.00 O ATOM 1183 CB VAL A 75 115.523 5.900 5.941 1.00 0.00 C ATOM 1184 CG1 VAL A 75 117.025 5.750 6.182 1.00 0.00 C ATOM 1185 CG2 VAL A 75 115.213 5.563 4.479 1.00 0.00 C ATOM 0 H VAL A 75 115.605 3.395 5.758 1.00 0.00 H new ATOM 0 HA VAL A 75 115.084 5.196 7.897 1.00 0.00 H new ATOM 0 HB VAL A 75 115.212 6.925 6.142 1.00 0.00 H new ATOM 0 HG11 VAL A 75 117.569 6.417 5.513 1.00 0.00 H new ATOM 0 HG12 VAL A 75 117.255 6.006 7.216 1.00 0.00 H new ATOM 0 HG13 VAL A 75 117.323 4.720 5.989 1.00 0.00 H new ATOM 0 HG21 VAL A 75 115.763 6.240 3.825 1.00 0.00 H new ATOM 0 HG22 VAL A 75 115.511 4.535 4.271 1.00 0.00 H new ATOM 0 HG23 VAL A 75 114.144 5.674 4.299 1.00 0.00 H new ATOM 1195 N ASP A 76 112.647 5.779 7.749 1.00 0.00 N ATOM 1196 CA ASP A 76 111.191 5.823 7.818 1.00 0.00 C ATOM 1197 C ASP A 76 110.584 6.557 6.631 1.00 0.00 C ATOM 1198 O ASP A 76 109.481 6.219 6.199 1.00 0.00 O ATOM 1199 CB ASP A 76 110.744 6.485 9.123 1.00 0.00 C ATOM 1200 CG ASP A 76 111.168 5.642 10.324 1.00 0.00 C ATOM 1201 OD1 ASP A 76 111.233 4.431 10.189 1.00 0.00 O ATOM 1202 OD2 ASP A 76 111.414 6.222 11.369 1.00 0.00 O ATOM 0 H ASP A 76 113.126 6.243 8.521 1.00 0.00 H new ATOM 0 HA ASP A 76 110.833 4.794 7.788 1.00 0.00 H new ATOM 0 HB2 ASP A 76 111.179 7.482 9.199 1.00 0.00 H new ATOM 0 HB3 ASP A 76 109.661 6.609 9.122 1.00 0.00 H new ATOM 1207 N HIS A 77 111.278 7.570 6.120 1.00 0.00 N ATOM 1208 CA HIS A 77 110.755 8.323 4.987 1.00 0.00 C ATOM 1209 C HIS A 77 111.888 8.825 4.107 1.00 0.00 C ATOM 1210 O HIS A 77 113.061 8.609 4.408 1.00 0.00 O ATOM 1211 CB HIS A 77 109.904 9.496 5.477 1.00 0.00 C ATOM 1212 CG HIS A 77 110.611 10.397 6.452 1.00 0.00 C ATOM 1213 ND1 HIS A 77 111.100 9.936 7.664 1.00 0.00 N ATOM 1214 CD2 HIS A 77 110.904 11.739 6.416 1.00 0.00 C ATOM 1215 CE1 HIS A 77 111.655 10.982 8.302 1.00 0.00 C ATOM 1216 NE2 HIS A 77 111.563 12.106 7.587 1.00 0.00 N ATOM 0 H HIS A 77 112.186 7.883 6.465 1.00 0.00 H new ATOM 0 HA HIS A 77 110.128 7.658 4.393 1.00 0.00 H new ATOM 0 HB2 HIS A 77 109.586 10.086 4.617 1.00 0.00 H new ATOM 0 HB3 HIS A 77 109.001 9.106 5.947 1.00 0.00 H new ATOM 0 HD2 HIS A 77 110.660 12.407 5.603 1.00 0.00 H new ATOM 0 HE1 HIS A 77 112.119 10.920 9.275 1.00 0.00 H new ATOM 0 HE2 HIS A 77 111.902 13.033 7.843 1.00 0.00 H new ATOM 1224 N GLY A 78 111.518 9.436 2.990 1.00 0.00 N ATOM 1225 CA GLY A 78 112.486 10.047 2.097 1.00 0.00 C ATOM 1226 C GLY A 78 111.763 10.841 1.016 1.00 0.00 C ATOM 1227 O GLY A 78 110.565 10.665 0.793 1.00 0.00 O ATOM 0 H GLY A 78 110.549 9.521 2.682 1.00 0.00 H new ATOM 0 HA2 GLY A 78 113.150 10.703 2.660 1.00 0.00 H new ATOM 0 HA3 GLY A 78 113.109 9.278 1.641 1.00 0.00 H new ATOM 1231 N THR A 79 112.488 11.738 0.364 1.00 0.00 N ATOM 1232 CA THR A 79 111.909 12.540 -0.709 1.00 0.00 C ATOM 1233 C THR A 79 112.433 12.061 -2.056 1.00 0.00 C ATOM 1234 O THR A 79 113.618 11.777 -2.201 1.00 0.00 O ATOM 1235 CB THR A 79 112.263 14.014 -0.506 1.00 0.00 C ATOM 1236 OG1 THR A 79 112.134 14.341 0.870 1.00 0.00 O ATOM 1237 CG2 THR A 79 111.294 14.869 -1.323 1.00 0.00 C ATOM 0 H THR A 79 113.471 11.930 0.555 1.00 0.00 H new ATOM 0 HA THR A 79 110.825 12.429 -0.690 1.00 0.00 H new ATOM 0 HB THR A 79 113.287 14.201 -0.829 1.00 0.00 H new ATOM 0 HG1 THR A 79 112.362 15.285 1.005 1.00 0.00 H new ATOM 0 HG21 THR A 79 111.535 15.923 -1.187 1.00 0.00 H new ATOM 0 HG22 THR A 79 111.381 14.610 -2.378 1.00 0.00 H new ATOM 0 HG23 THR A 79 110.274 14.684 -0.987 1.00 0.00 H new ATOM 1245 N ILE A 80 111.549 11.970 -3.044 1.00 0.00 N ATOM 1246 CA ILE A 80 111.934 11.501 -4.374 1.00 0.00 C ATOM 1247 C ILE A 80 111.948 12.667 -5.352 1.00 0.00 C ATOM 1248 O ILE A 80 111.025 13.482 -5.368 1.00 0.00 O ATOM 1249 CB ILE A 80 110.971 10.407 -4.859 1.00 0.00 C ATOM 1250 CG1 ILE A 80 109.512 10.879 -4.761 1.00 0.00 C ATOM 1251 CG2 ILE A 80 111.158 9.161 -3.992 1.00 0.00 C ATOM 1252 CD1 ILE A 80 108.599 9.919 -5.526 1.00 0.00 C ATOM 0 H ILE A 80 110.563 12.214 -2.951 1.00 0.00 H new ATOM 0 HA ILE A 80 112.936 11.075 -4.319 1.00 0.00 H new ATOM 0 HB ILE A 80 111.192 10.181 -5.902 1.00 0.00 H new ATOM 0 HG12 ILE A 80 109.207 10.929 -3.716 1.00 0.00 H new ATOM 0 HG13 ILE A 80 109.419 11.885 -5.169 1.00 0.00 H new ATOM 0 HG21 ILE A 80 110.478 8.378 -4.329 1.00 0.00 H new ATOM 0 HG22 ILE A 80 112.186 8.810 -4.077 1.00 0.00 H new ATOM 0 HG23 ILE A 80 110.943 9.406 -2.952 1.00 0.00 H new ATOM 0 HD11 ILE A 80 107.567 10.261 -5.451 1.00 0.00 H new ATOM 0 HD12 ILE A 80 108.897 9.891 -6.574 1.00 0.00 H new ATOM 0 HD13 ILE A 80 108.682 8.920 -5.098 1.00 0.00 H new ATOM 1264 N GLU A 81 113.012 12.763 -6.147 1.00 0.00 N ATOM 1265 CA GLU A 81 113.151 13.891 -7.059 1.00 0.00 C ATOM 1266 C GLU A 81 113.885 13.512 -8.340 1.00 0.00 C ATOM 1267 O GLU A 81 114.802 12.688 -8.335 1.00 0.00 O ATOM 1268 CB GLU A 81 113.898 15.028 -6.358 1.00 0.00 C ATOM 1269 CG GLU A 81 113.873 16.286 -7.236 1.00 0.00 C ATOM 1270 CD GLU A 81 114.683 17.432 -6.619 1.00 0.00 C ATOM 1271 OE1 GLU A 81 115.271 17.250 -5.563 1.00 0.00 O ATOM 1272 OE2 GLU A 81 114.704 18.491 -7.224 1.00 0.00 O ATOM 0 H GLU A 81 113.775 12.087 -6.178 1.00 0.00 H new ATOM 0 HA GLU A 81 112.148 14.212 -7.338 1.00 0.00 H new ATOM 0 HB2 GLU A 81 113.437 15.238 -5.393 1.00 0.00 H new ATOM 0 HB3 GLU A 81 114.928 14.731 -6.161 1.00 0.00 H new ATOM 0 HG2 GLU A 81 114.273 16.048 -8.222 1.00 0.00 H new ATOM 0 HG3 GLU A 81 112.841 16.607 -7.380 1.00 0.00 H new ATOM 1279 N CYS A 82 113.449 14.117 -9.438 1.00 0.00 N ATOM 1280 CA CYS A 82 114.178 14.030 -10.696 1.00 0.00 C ATOM 1281 C CYS A 82 114.939 15.335 -10.910 1.00 0.00 C ATOM 1282 O CYS A 82 114.335 16.403 -11.010 1.00 0.00 O ATOM 1283 CB CYS A 82 113.205 13.796 -11.855 1.00 0.00 C ATOM 1284 SG CYS A 82 112.497 12.134 -11.723 1.00 0.00 S ATOM 0 H CYS A 82 112.595 14.673 -9.482 1.00 0.00 H new ATOM 0 HA CYS A 82 114.877 13.194 -10.659 1.00 0.00 H new ATOM 0 HB2 CYS A 82 112.412 14.543 -11.835 1.00 0.00 H new ATOM 0 HB3 CYS A 82 113.723 13.907 -12.807 1.00 0.00 H new ATOM 1359 N ALA A 88 117.350 9.996 -11.895 1.00 0.00 N ATOM 1360 CA ALA A 88 116.359 9.810 -10.837 1.00 0.00 C ATOM 1361 C ALA A 88 117.030 9.348 -9.548 1.00 0.00 C ATOM 1362 O ALA A 88 117.657 8.286 -9.510 1.00 0.00 O ATOM 1363 CB ALA A 88 115.322 8.774 -11.275 1.00 0.00 C ATOM 0 HA ALA A 88 115.866 10.765 -10.652 1.00 0.00 H new ATOM 0 HB1 ALA A 88 114.586 8.639 -10.483 1.00 0.00 H new ATOM 0 HB2 ALA A 88 114.822 9.120 -12.180 1.00 0.00 H new ATOM 0 HB3 ALA A 88 115.818 7.824 -11.475 1.00 0.00 H new ATOM 1369 N VAL A 89 116.862 10.126 -8.478 1.00 0.00 N ATOM 1370 CA VAL A 89 117.520 9.817 -7.209 1.00 0.00 C ATOM 1371 C VAL A 89 116.554 9.913 -6.028 1.00 0.00 C ATOM 1372 O VAL A 89 115.521 10.582 -6.091 1.00 0.00 O ATOM 1373 CB VAL A 89 118.691 10.775 -6.980 1.00 0.00 C ATOM 1374 CG1 VAL A 89 119.725 10.596 -8.092 1.00 0.00 C ATOM 1375 CG2 VAL A 89 118.183 12.220 -6.987 1.00 0.00 C ATOM 0 H VAL A 89 116.283 10.965 -8.464 1.00 0.00 H new ATOM 0 HA VAL A 89 117.881 8.790 -7.271 1.00 0.00 H new ATOM 0 HB VAL A 89 119.151 10.556 -6.016 1.00 0.00 H new ATOM 0 HG11 VAL A 89 120.558 11.279 -7.927 1.00 0.00 H new ATOM 0 HG12 VAL A 89 120.091 9.569 -8.087 1.00 0.00 H new ATOM 0 HG13 VAL A 89 119.264 10.812 -9.056 1.00 0.00 H new ATOM 0 HG21 VAL A 89 119.019 12.900 -6.824 1.00 0.00 H new ATOM 0 HG22 VAL A 89 117.720 12.438 -7.949 1.00 0.00 H new ATOM 0 HG23 VAL A 89 117.448 12.351 -6.193 1.00 0.00 H new ATOM 1385 N PHE A 90 116.933 9.238 -4.948 1.00 0.00 N ATOM 1386 CA PHE A 90 116.164 9.214 -3.709 1.00 0.00 C ATOM 1387 C PHE A 90 116.949 9.908 -2.598 1.00 0.00 C ATOM 1388 O PHE A 90 118.110 9.590 -2.365 1.00 0.00 O ATOM 1389 CB PHE A 90 115.909 7.753 -3.328 1.00 0.00 C ATOM 1390 CG PHE A 90 115.212 7.549 -2.002 1.00 0.00 C ATOM 1391 CD1 PHE A 90 113.833 7.764 -1.888 1.00 0.00 C ATOM 1392 CD2 PHE A 90 115.950 7.124 -0.891 1.00 0.00 C ATOM 1393 CE1 PHE A 90 113.193 7.551 -0.658 1.00 0.00 C ATOM 1394 CE2 PHE A 90 115.311 6.913 0.335 1.00 0.00 C ATOM 1395 CZ PHE A 90 113.932 7.124 0.450 1.00 0.00 C ATOM 0 H PHE A 90 117.791 8.687 -4.908 1.00 0.00 H new ATOM 0 HA PHE A 90 115.217 9.737 -3.846 1.00 0.00 H new ATOM 0 HB2 PHE A 90 115.310 7.289 -4.111 1.00 0.00 H new ATOM 0 HB3 PHE A 90 116.864 7.228 -3.304 1.00 0.00 H new ATOM 0 HD1 PHE A 90 113.264 8.093 -2.745 1.00 0.00 H new ATOM 0 HD2 PHE A 90 117.014 6.959 -0.981 1.00 0.00 H new ATOM 0 HE1 PHE A 90 112.130 7.717 -0.567 1.00 0.00 H new ATOM 0 HE2 PHE A 90 115.881 6.587 1.193 1.00 0.00 H new ATOM 0 HZ PHE A 90 113.438 6.957 1.396 1.00 0.00 H new ATOM 1405 N VAL A 91 116.316 10.853 -1.914 1.00 0.00 N ATOM 1406 CA VAL A 91 116.976 11.584 -0.832 1.00 0.00 C ATOM 1407 C VAL A 91 116.406 11.132 0.506 1.00 0.00 C ATOM 1408 O VAL A 91 115.191 11.090 0.681 1.00 0.00 O ATOM 1409 CB VAL A 91 116.747 13.093 -1.006 1.00 0.00 C ATOM 1410 CG1 VAL A 91 117.467 13.894 0.090 1.00 0.00 C ATOM 1411 CG2 VAL A 91 117.273 13.535 -2.375 1.00 0.00 C ATOM 0 H VAL A 91 115.350 11.133 -2.086 1.00 0.00 H new ATOM 0 HA VAL A 91 118.046 11.380 -0.860 1.00 0.00 H new ATOM 0 HB VAL A 91 115.677 13.285 -0.931 1.00 0.00 H new ATOM 0 HG11 VAL A 91 117.287 14.959 -0.059 1.00 0.00 H new ATOM 0 HG12 VAL A 91 117.088 13.595 1.067 1.00 0.00 H new ATOM 0 HG13 VAL A 91 118.538 13.697 0.041 1.00 0.00 H new ATOM 0 HG21 VAL A 91 117.111 14.606 -2.499 1.00 0.00 H new ATOM 0 HG22 VAL A 91 118.339 13.320 -2.442 1.00 0.00 H new ATOM 0 HG23 VAL A 91 116.744 12.995 -3.160 1.00 0.00 H new ATOM 1421 N ALA A 92 117.283 10.816 1.455 1.00 0.00 N ATOM 1422 CA ALA A 92 116.829 10.396 2.780 1.00 0.00 C ATOM 1423 C ALA A 92 116.917 11.556 3.778 1.00 0.00 C ATOM 1424 O ALA A 92 117.708 12.474 3.573 1.00 0.00 O ATOM 1425 CB ALA A 92 117.683 9.229 3.278 1.00 0.00 C ATOM 0 H ALA A 92 118.296 10.841 1.336 1.00 0.00 H new ATOM 0 HA ALA A 92 115.789 10.080 2.701 1.00 0.00 H new ATOM 0 HB1 ALA A 92 117.339 8.922 4.266 1.00 0.00 H new ATOM 0 HB2 ALA A 92 117.594 8.392 2.586 1.00 0.00 H new ATOM 0 HB3 ALA A 92 118.726 9.541 3.338 1.00 0.00 H new ATOM 1431 N PRO A 93 116.137 11.548 4.842 1.00 0.00 N ATOM 1432 CA PRO A 93 116.191 12.643 5.860 1.00 0.00 C ATOM 1433 C PRO A 93 117.613 12.970 6.313 1.00 0.00 C ATOM 1434 O PRO A 93 117.896 14.096 6.725 1.00 0.00 O ATOM 1435 CB PRO A 93 115.370 12.111 7.038 1.00 0.00 C ATOM 1436 CG PRO A 93 114.449 11.091 6.465 1.00 0.00 C ATOM 1437 CD PRO A 93 115.107 10.550 5.196 1.00 0.00 C ATOM 0 HA PRO A 93 115.805 13.574 5.445 1.00 0.00 H new ATOM 0 HB2 PRO A 93 116.016 11.671 7.798 1.00 0.00 H new ATOM 0 HB3 PRO A 93 114.812 12.914 7.520 1.00 0.00 H new ATOM 0 HG2 PRO A 93 114.273 10.287 7.180 1.00 0.00 H new ATOM 0 HG3 PRO A 93 113.479 11.533 6.237 1.00 0.00 H new ATOM 0 HD2 PRO A 93 115.551 9.570 5.369 1.00 0.00 H new ATOM 0 HD3 PRO A 93 114.379 10.433 4.393 1.00 0.00 H new ATOM 1445 N ASP A 94 118.501 11.987 6.236 1.00 0.00 N ATOM 1446 CA ASP A 94 119.878 12.179 6.685 1.00 0.00 C ATOM 1447 C ASP A 94 120.635 13.230 5.858 1.00 0.00 C ATOM 1448 O ASP A 94 121.717 13.662 6.255 1.00 0.00 O ATOM 1449 CB ASP A 94 120.622 10.835 6.642 1.00 0.00 C ATOM 1450 CG ASP A 94 120.511 10.162 5.268 1.00 0.00 C ATOM 1451 OD1 ASP A 94 120.077 10.808 4.329 1.00 0.00 O ATOM 1452 OD2 ASP A 94 120.874 9.000 5.171 1.00 0.00 O ATOM 0 H ASP A 94 118.298 11.057 5.871 1.00 0.00 H new ATOM 0 HA ASP A 94 119.838 12.556 7.707 1.00 0.00 H new ATOM 0 HB2 ASP A 94 121.673 10.994 6.884 1.00 0.00 H new ATOM 0 HB3 ASP A 94 120.216 10.171 7.405 1.00 0.00 H new ATOM 1457 N GLY A 95 120.080 13.643 4.717 1.00 0.00 N ATOM 1458 CA GLY A 95 120.762 14.593 3.835 1.00 0.00 C ATOM 1459 C GLY A 95 121.662 13.905 2.796 1.00 0.00 C ATOM 1460 O GLY A 95 122.435 14.571 2.107 1.00 0.00 O ATOM 0 H GLY A 95 119.166 13.337 4.383 1.00 0.00 H new ATOM 0 HA2 GLY A 95 120.018 15.200 3.319 1.00 0.00 H new ATOM 0 HA3 GLY A 95 121.365 15.272 4.438 1.00 0.00 H new ATOM 1464 N THR A 96 121.567 12.582 2.684 1.00 0.00 N ATOM 1465 CA THR A 96 122.367 11.819 1.741 1.00 0.00 C ATOM 1466 C THR A 96 121.532 11.514 0.507 1.00 0.00 C ATOM 1467 O THR A 96 120.345 11.205 0.619 1.00 0.00 O ATOM 1468 CB THR A 96 122.806 10.505 2.393 1.00 0.00 C ATOM 1469 OG1 THR A 96 123.501 10.787 3.599 1.00 0.00 O ATOM 1470 CG2 THR A 96 123.719 9.723 1.445 1.00 0.00 C ATOM 0 H THR A 96 120.933 12.013 3.245 1.00 0.00 H new ATOM 0 HA THR A 96 123.247 12.396 1.456 1.00 0.00 H new ATOM 0 HB THR A 96 121.924 9.902 2.609 1.00 0.00 H new ATOM 0 HG1 THR A 96 123.781 9.947 4.019 1.00 0.00 H new ATOM 0 HG21 THR A 96 124.024 8.791 1.920 1.00 0.00 H new ATOM 0 HG22 THR A 96 123.182 9.501 0.523 1.00 0.00 H new ATOM 0 HG23 THR A 96 124.602 10.319 1.216 1.00 0.00 H new ATOM 1478 N THR A 97 122.149 11.603 -0.664 1.00 0.00 N ATOM 1479 CA THR A 97 121.449 11.287 -1.903 1.00 0.00 C ATOM 1480 C THR A 97 121.878 9.915 -2.411 1.00 0.00 C ATOM 1481 O THR A 97 123.067 9.619 -2.526 1.00 0.00 O ATOM 1482 CB THR A 97 121.755 12.348 -2.963 1.00 0.00 C ATOM 1483 OG1 THR A 97 121.453 13.634 -2.443 1.00 0.00 O ATOM 1484 CG2 THR A 97 120.906 12.086 -4.208 1.00 0.00 C ATOM 0 H THR A 97 123.121 11.888 -0.782 1.00 0.00 H new ATOM 0 HA THR A 97 120.377 11.276 -1.707 1.00 0.00 H new ATOM 0 HB THR A 97 122.811 12.303 -3.230 1.00 0.00 H new ATOM 0 HG1 THR A 97 121.650 14.315 -3.120 1.00 0.00 H new ATOM 0 HG21 THR A 97 121.124 12.842 -4.963 1.00 0.00 H new ATOM 0 HG22 THR A 97 121.139 11.098 -4.606 1.00 0.00 H new ATOM 0 HG23 THR A 97 119.849 12.131 -3.944 1.00 0.00 H new ATOM 1492 N TYR A 98 120.888 9.088 -2.712 1.00 0.00 N ATOM 1493 CA TYR A 98 121.121 7.752 -3.237 1.00 0.00 C ATOM 1494 C TYR A 98 120.581 7.675 -4.661 1.00 0.00 C ATOM 1495 O TYR A 98 119.625 8.366 -4.999 1.00 0.00 O ATOM 1496 CB TYR A 98 120.398 6.722 -2.366 1.00 0.00 C ATOM 1497 CG TYR A 98 120.820 6.723 -0.912 1.00 0.00 C ATOM 1498 CD1 TYR A 98 121.888 5.921 -0.489 1.00 0.00 C ATOM 1499 CD2 TYR A 98 120.135 7.518 0.016 1.00 0.00 C ATOM 1500 CE1 TYR A 98 122.270 5.917 0.860 1.00 0.00 C ATOM 1501 CE2 TYR A 98 120.519 7.515 1.363 1.00 0.00 C ATOM 1502 CZ TYR A 98 121.585 6.714 1.786 1.00 0.00 C ATOM 1503 OH TYR A 98 121.963 6.709 3.116 1.00 0.00 O ATOM 0 H TYR A 98 119.902 9.324 -2.599 1.00 0.00 H new ATOM 0 HA TYR A 98 122.190 7.540 -3.233 1.00 0.00 H new ATOM 0 HB2 TYR A 98 119.325 6.908 -2.420 1.00 0.00 H new ATOM 0 HB3 TYR A 98 120.571 5.729 -2.781 1.00 0.00 H new ATOM 0 HD1 TYR A 98 122.417 5.306 -1.202 1.00 0.00 H new ATOM 0 HD2 TYR A 98 119.309 8.134 -0.308 1.00 0.00 H new ATOM 0 HE1 TYR A 98 123.093 5.299 1.186 1.00 0.00 H new ATOM 0 HE2 TYR A 98 119.992 8.132 2.076 1.00 0.00 H new ATOM 0 HH TYR A 98 121.544 7.465 3.578 1.00 0.00 H new ATOM 1513 N ALA A 99 121.185 6.832 -5.489 1.00 0.00 N ATOM 1514 CA ALA A 99 120.744 6.689 -6.873 1.00 0.00 C ATOM 1515 C ALA A 99 119.636 5.647 -6.972 1.00 0.00 C ATOM 1516 O ALA A 99 119.796 4.513 -6.520 1.00 0.00 O ATOM 1517 CB ALA A 99 121.926 6.264 -7.748 1.00 0.00 C ATOM 0 H ALA A 99 121.975 6.241 -5.231 1.00 0.00 H new ATOM 0 HA ALA A 99 120.358 7.648 -7.219 1.00 0.00 H new ATOM 0 HB1 ALA A 99 121.594 6.158 -8.781 1.00 0.00 H new ATOM 0 HB2 ALA A 99 122.709 7.020 -7.694 1.00 0.00 H new ATOM 0 HB3 ALA A 99 122.317 5.311 -7.393 1.00 0.00 H new ATOM 1523 N LEU A 100 118.510 6.036 -7.564 1.00 0.00 N ATOM 1524 CA LEU A 100 117.388 5.118 -7.717 1.00 0.00 C ATOM 1525 C LEU A 100 117.589 4.244 -8.944 1.00 0.00 C ATOM 1526 O LEU A 100 117.503 3.018 -8.872 1.00 0.00 O ATOM 1527 CB LEU A 100 116.080 5.893 -7.884 1.00 0.00 C ATOM 1528 CG LEU A 100 115.555 6.350 -6.525 1.00 0.00 C ATOM 1529 CD1 LEU A 100 114.559 7.488 -6.740 1.00 0.00 C ATOM 1530 CD2 LEU A 100 114.842 5.182 -5.838 1.00 0.00 C ATOM 0 H LEU A 100 118.352 6.970 -7.941 1.00 0.00 H new ATOM 0 HA LEU A 100 117.336 4.499 -6.822 1.00 0.00 H new ATOM 0 HB2 LEU A 100 116.242 6.757 -8.528 1.00 0.00 H new ATOM 0 HB3 LEU A 100 115.337 5.264 -8.375 1.00 0.00 H new ATOM 0 HG LEU A 100 116.383 6.689 -5.902 1.00 0.00 H new ATOM 0 HD11 LEU A 100 114.176 7.824 -5.776 1.00 0.00 H new ATOM 0 HD12 LEU A 100 115.057 8.318 -7.241 1.00 0.00 H new ATOM 0 HD13 LEU A 100 113.732 7.136 -7.356 1.00 0.00 H new ATOM 0 HD21 LEU A 100 114.466 5.505 -4.867 1.00 0.00 H new ATOM 0 HD22 LEU A 100 114.009 4.849 -6.457 1.00 0.00 H new ATOM 0 HD23 LEU A 100 115.543 4.359 -5.700 1.00 0.00 H new ATOM 1542 N ASN A 101 117.857 4.891 -10.076 1.00 0.00 N ATOM 1543 CA ASN A 101 117.992 4.171 -11.344 1.00 0.00 C ATOM 1544 C ASN A 101 119.440 4.145 -11.829 1.00 0.00 C ATOM 1545 O ASN A 101 120.301 4.872 -11.331 1.00 0.00 O ATOM 1546 CB ASN A 101 117.084 4.804 -12.404 1.00 0.00 C ATOM 1547 CG ASN A 101 117.515 6.231 -12.732 1.00 0.00 C ATOM 1548 OD1 ASN A 101 118.560 6.695 -12.278 1.00 0.00 O ATOM 1549 ND2 ASN A 101 116.762 6.965 -13.505 1.00 0.00 N ATOM 0 H ASN A 101 117.984 5.901 -10.144 1.00 0.00 H new ATOM 0 HA ASN A 101 117.686 3.138 -11.177 1.00 0.00 H new ATOM 0 HB2 ASN A 101 117.105 4.199 -13.311 1.00 0.00 H new ATOM 0 HB3 ASN A 101 116.054 4.807 -12.047 1.00 0.00 H new ATOM 0 HD21 ASN A 101 117.041 7.920 -13.731 1.00 0.00 H new ATOM 0 HD22 ASN A 101 115.895 6.584 -13.883 1.00 0.00 H new ATOM 1556 N ASP A 102 119.698 3.292 -12.815 1.00 0.00 N ATOM 1557 CA ASP A 102 121.051 3.104 -13.329 1.00 0.00 C ATOM 1558 C ASP A 102 121.702 4.430 -13.715 1.00 0.00 C ATOM 1559 O ASP A 102 122.911 4.598 -13.572 1.00 0.00 O ATOM 1560 CB ASP A 102 121.017 2.184 -14.551 1.00 0.00 C ATOM 1561 CG ASP A 102 122.436 1.822 -14.972 1.00 0.00 C ATOM 1562 OD1 ASP A 102 122.987 0.898 -14.398 1.00 0.00 O ATOM 1563 OD2 ASP A 102 122.954 2.477 -15.863 1.00 0.00 O ATOM 0 H ASP A 102 118.989 2.720 -13.274 1.00 0.00 H new ATOM 0 HA ASP A 102 121.645 2.654 -12.534 1.00 0.00 H new ATOM 0 HB2 ASP A 102 120.456 1.279 -14.319 1.00 0.00 H new ATOM 0 HB3 ASP A 102 120.500 2.678 -15.374 1.00 0.00 H new ATOM 1568 N ARG A 103 120.904 5.373 -14.201 1.00 0.00 N ATOM 1569 CA ARG A 103 121.437 6.646 -14.672 1.00 0.00 C ATOM 1570 C ARG A 103 122.126 7.399 -13.535 1.00 0.00 C ATOM 1571 O ARG A 103 123.265 7.846 -13.665 1.00 0.00 O ATOM 1572 CB ARG A 103 120.287 7.471 -15.244 1.00 0.00 C ATOM 1573 CG ARG A 103 119.724 6.748 -16.470 1.00 0.00 C ATOM 1574 CD ARG A 103 118.490 7.490 -16.983 1.00 0.00 C ATOM 1575 NE ARG A 103 118.872 8.813 -17.471 1.00 0.00 N ATOM 1576 CZ ARG A 103 119.322 9.051 -18.708 1.00 0.00 C ATOM 1577 NH1 ARG A 103 119.441 8.106 -19.607 1.00 0.00 N ATOM 1578 NH2 ARG A 103 119.651 10.274 -19.011 1.00 0.00 N ATOM 0 H ARG A 103 119.891 5.282 -14.279 1.00 0.00 H new ATOM 0 HA ARG A 103 122.183 6.467 -15.446 1.00 0.00 H new ATOM 0 HB2 ARG A 103 119.508 7.604 -14.493 1.00 0.00 H new ATOM 0 HB3 ARG A 103 120.637 8.466 -15.520 1.00 0.00 H new ATOM 0 HG2 ARG A 103 120.481 6.696 -17.253 1.00 0.00 H new ATOM 0 HG3 ARG A 103 119.462 5.722 -16.211 1.00 0.00 H new ATOM 0 HD2 ARG A 103 118.019 6.920 -17.784 1.00 0.00 H new ATOM 0 HD3 ARG A 103 117.754 7.586 -16.184 1.00 0.00 H new ATOM 0 HE ARG A 103 118.791 9.602 -16.830 1.00 0.00 H new ATOM 0 HH11 ARG A 103 119.186 7.146 -19.375 1.00 0.00 H new ATOM 0 HH12 ARG A 103 119.788 8.330 -20.539 1.00 0.00 H new ATOM 0 HH21 ARG A 103 119.562 11.014 -18.314 1.00 0.00 H new ATOM 0 HH22 ARG A 103 119.998 10.492 -19.945 1.00 0.00 H new ATOM 1592 N ALA A 104 121.444 7.500 -12.400 1.00 0.00 N ATOM 1593 CA ALA A 104 122.026 8.143 -11.225 1.00 0.00 C ATOM 1594 C ALA A 104 123.295 7.419 -10.768 1.00 0.00 C ATOM 1595 O ALA A 104 124.232 8.046 -10.267 1.00 0.00 O ATOM 1596 CB ALA A 104 121.004 8.165 -10.087 1.00 0.00 C ATOM 0 H ALA A 104 120.496 7.149 -12.267 1.00 0.00 H new ATOM 0 HA ALA A 104 122.296 9.164 -11.495 1.00 0.00 H new ATOM 0 HB1 ALA A 104 121.443 8.646 -9.213 1.00 0.00 H new ATOM 0 HB2 ALA A 104 120.121 8.721 -10.402 1.00 0.00 H new ATOM 0 HB3 ALA A 104 120.719 7.144 -9.834 1.00 0.00 H new ATOM 1602 N GLU A 105 123.314 6.094 -10.910 1.00 0.00 N ATOM 1603 CA GLU A 105 124.511 5.325 -10.575 1.00 0.00 C ATOM 1604 C GLU A 105 125.674 5.740 -11.473 1.00 0.00 C ATOM 1605 O GLU A 105 126.799 5.910 -11.008 1.00 0.00 O ATOM 1606 CB GLU A 105 124.241 3.827 -10.734 1.00 0.00 C ATOM 1607 CG GLU A 105 123.155 3.394 -9.742 1.00 0.00 C ATOM 1608 CD GLU A 105 122.902 1.884 -9.797 1.00 0.00 C ATOM 1609 OE1 GLU A 105 123.403 1.226 -10.698 1.00 0.00 O ATOM 1610 OE2 GLU A 105 122.202 1.401 -8.923 1.00 0.00 O ATOM 0 H GLU A 105 122.528 5.539 -11.249 1.00 0.00 H new ATOM 0 HA GLU A 105 124.774 5.529 -9.537 1.00 0.00 H new ATOM 0 HB2 GLU A 105 123.924 3.610 -11.754 1.00 0.00 H new ATOM 0 HB3 GLU A 105 125.156 3.261 -10.558 1.00 0.00 H new ATOM 0 HG2 GLU A 105 123.452 3.676 -8.732 1.00 0.00 H new ATOM 0 HG3 GLU A 105 122.229 3.926 -9.962 1.00 0.00 H new ATOM 1617 N LYS A 106 125.391 5.945 -12.755 1.00 0.00 N ATOM 1618 CA LYS A 106 126.405 6.433 -13.689 1.00 0.00 C ATOM 1619 C LYS A 106 126.963 7.788 -13.245 1.00 0.00 C ATOM 1620 O LYS A 106 128.140 8.082 -13.450 1.00 0.00 O ATOM 1621 CB LYS A 106 125.800 6.560 -15.090 1.00 0.00 C ATOM 1622 CG LYS A 106 126.893 6.929 -16.095 1.00 0.00 C ATOM 1623 CD LYS A 106 126.303 6.954 -17.506 1.00 0.00 C ATOM 1624 CE LYS A 106 125.321 8.121 -17.629 1.00 0.00 C ATOM 1625 NZ LYS A 106 125.142 8.470 -19.065 1.00 0.00 N ATOM 0 H LYS A 106 124.474 5.783 -13.171 1.00 0.00 H new ATOM 0 HA LYS A 106 127.225 5.715 -13.705 1.00 0.00 H new ATOM 0 HB2 LYS A 106 125.329 5.620 -15.379 1.00 0.00 H new ATOM 0 HB3 LYS A 106 125.020 7.321 -15.092 1.00 0.00 H new ATOM 0 HG2 LYS A 106 127.314 7.904 -15.848 1.00 0.00 H new ATOM 0 HG3 LYS A 106 127.708 6.207 -16.043 1.00 0.00 H new ATOM 0 HD2 LYS A 106 127.100 7.056 -18.243 1.00 0.00 H new ATOM 0 HD3 LYS A 106 125.794 6.013 -17.715 1.00 0.00 H new ATOM 0 HE2 LYS A 106 124.362 7.851 -17.187 1.00 0.00 H new ATOM 0 HE3 LYS A 106 125.694 8.984 -17.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 124.475 9.263 -19.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 126.059 8.744 -19.472 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 124.767 7.647 -19.578 1.00 0.00 H new ATOM 1639 N ALA A 107 126.109 8.609 -12.635 1.00 0.00 N ATOM 1640 CA ALA A 107 126.522 9.913 -12.112 1.00 0.00 C ATOM 1641 C ALA A 107 127.409 9.809 -10.860 1.00 0.00 C ATOM 1642 O ALA A 107 127.822 10.830 -10.312 1.00 0.00 O ATOM 1643 CB ALA A 107 125.282 10.745 -11.778 1.00 0.00 C ATOM 0 H ALA A 107 125.123 8.394 -12.490 1.00 0.00 H new ATOM 0 HA ALA A 107 127.117 10.391 -12.891 1.00 0.00 H new ATOM 0 HB1 ALA A 107 125.589 11.716 -11.389 1.00 0.00 H new ATOM 0 HB2 ALA A 107 124.686 10.888 -12.679 1.00 0.00 H new ATOM 0 HB3 ALA A 107 124.686 10.225 -11.028 1.00 0.00 H new ATOM 1649 N GLY A 108 127.702 8.591 -10.405 1.00 0.00 N ATOM 1650 CA GLY A 108 128.579 8.395 -9.256 1.00 0.00 C ATOM 1651 C GLY A 108 127.880 8.628 -7.917 1.00 0.00 C ATOM 1652 O GLY A 108 128.541 8.927 -6.922 1.00 0.00 O ATOM 0 H GLY A 108 127.345 7.728 -10.815 1.00 0.00 H new ATOM 0 HA2 GLY A 108 128.976 7.380 -9.279 1.00 0.00 H new ATOM 0 HA3 GLY A 108 129.430 9.072 -9.337 1.00 0.00 H new ATOM 1656 N HIS A 109 126.554 8.498 -7.885 1.00 0.00 N ATOM 1657 CA HIS A 109 125.832 8.547 -6.619 1.00 0.00 C ATOM 1658 C HIS A 109 125.745 7.136 -6.027 1.00 0.00 C ATOM 1659 O HIS A 109 125.587 6.178 -6.787 1.00 0.00 O ATOM 1660 CB HIS A 109 124.424 9.103 -6.837 1.00 0.00 C ATOM 1661 CG HIS A 109 124.382 10.604 -6.934 1.00 0.00 C ATOM 1662 ND1 HIS A 109 124.508 11.420 -5.821 1.00 0.00 N ATOM 1663 CD2 HIS A 109 124.227 11.451 -8.004 1.00 0.00 C ATOM 1664 CE1 HIS A 109 124.428 12.695 -6.241 1.00 0.00 C ATOM 1665 NE2 HIS A 109 124.257 12.772 -7.563 1.00 0.00 N ATOM 0 H HIS A 109 125.968 8.360 -8.708 1.00 0.00 H new ATOM 0 HA HIS A 109 126.365 9.200 -5.928 1.00 0.00 H new ATOM 0 HB2 HIS A 109 124.010 8.676 -7.750 1.00 0.00 H new ATOM 0 HB3 HIS A 109 123.783 8.781 -6.016 1.00 0.00 H new ATOM 0 HD2 HIS A 109 124.101 11.140 -9.031 1.00 0.00 H new ATOM 0 HE1 HIS A 109 124.494 13.553 -5.588 1.00 0.00 H new ATOM 0 HE2 HIS A 109 124.168 13.616 -8.128 1.00 0.00 H new ATOM 1673 N PRO A 110 125.837 6.968 -4.723 1.00 0.00 N ATOM 1674 CA PRO A 110 125.790 5.604 -4.111 1.00 0.00 C ATOM 1675 C PRO A 110 124.373 5.026 -4.152 1.00 0.00 C ATOM 1676 O PRO A 110 123.413 5.791 -4.084 1.00 0.00 O ATOM 1677 CB PRO A 110 126.249 5.825 -2.670 1.00 0.00 C ATOM 1678 CG PRO A 110 125.890 7.237 -2.358 1.00 0.00 C ATOM 1679 CD PRO A 110 125.955 8.006 -3.679 1.00 0.00 C ATOM 0 HA PRO A 110 126.416 4.889 -4.645 1.00 0.00 H new ATOM 0 HB2 PRO A 110 125.754 5.133 -1.989 1.00 0.00 H new ATOM 0 HB3 PRO A 110 127.322 5.660 -2.569 1.00 0.00 H new ATOM 0 HG2 PRO A 110 124.892 7.296 -1.924 1.00 0.00 H new ATOM 0 HG3 PRO A 110 126.581 7.660 -1.629 1.00 0.00 H new ATOM 0 HD2 PRO A 110 125.148 8.735 -3.753 1.00 0.00 H new ATOM 0 HD3 PRO A 110 126.892 8.556 -3.771 1.00 0.00 H new ATOM 1687 N PRO A 111 124.202 3.725 -4.267 1.00 0.00 N ATOM 1688 CA PRO A 111 122.835 3.124 -4.361 1.00 0.00 C ATOM 1689 C PRO A 111 122.129 3.053 -3.006 1.00 0.00 C ATOM 1690 O PRO A 111 122.775 3.054 -1.959 1.00 0.00 O ATOM 1691 CB PRO A 111 123.083 1.728 -4.932 1.00 0.00 C ATOM 1692 CG PRO A 111 124.477 1.371 -4.539 1.00 0.00 C ATOM 1693 CD PRO A 111 125.242 2.677 -4.326 1.00 0.00 C ATOM 0 HA PRO A 111 122.172 3.726 -4.982 1.00 0.00 H new ATOM 0 HB2 PRO A 111 122.368 1.009 -4.532 1.00 0.00 H new ATOM 0 HB3 PRO A 111 122.969 1.723 -6.016 1.00 0.00 H new ATOM 0 HG2 PRO A 111 124.477 0.773 -3.628 1.00 0.00 H new ATOM 0 HG3 PRO A 111 124.952 0.770 -5.314 1.00 0.00 H new ATOM 0 HD2 PRO A 111 125.825 2.647 -3.405 1.00 0.00 H new ATOM 0 HD3 PRO A 111 125.942 2.861 -5.141 1.00 0.00 H new ATOM 1701 N ILE A 112 120.799 2.991 -3.038 1.00 0.00 N ATOM 1702 CA ILE A 112 120.009 2.928 -1.806 1.00 0.00 C ATOM 1703 C ILE A 112 120.341 1.684 -0.965 1.00 0.00 C ATOM 1704 O ILE A 112 119.989 1.646 0.212 1.00 0.00 O ATOM 1705 CB ILE A 112 118.503 2.972 -2.140 1.00 0.00 C ATOM 1706 CG1 ILE A 112 118.197 4.281 -2.875 1.00 0.00 C ATOM 1707 CG2 ILE A 112 117.660 2.918 -0.854 1.00 0.00 C ATOM 1708 CD1 ILE A 112 116.748 4.292 -3.378 1.00 0.00 C ATOM 0 H ILE A 112 120.247 2.983 -3.896 1.00 0.00 H new ATOM 0 HA ILE A 112 120.269 3.798 -1.203 1.00 0.00 H new ATOM 0 HB ILE A 112 118.255 2.112 -2.762 1.00 0.00 H new ATOM 0 HG12 ILE A 112 118.362 5.126 -2.207 1.00 0.00 H new ATOM 0 HG13 ILE A 112 118.880 4.401 -3.716 1.00 0.00 H new ATOM 0 HG21 ILE A 112 116.601 2.950 -1.111 1.00 0.00 H new ATOM 0 HG22 ILE A 112 117.875 1.994 -0.317 1.00 0.00 H new ATOM 0 HG23 ILE A 112 117.906 3.771 -0.222 1.00 0.00 H new ATOM 0 HD11 ILE A 112 116.550 5.230 -3.897 1.00 0.00 H new ATOM 0 HD12 ILE A 112 116.594 3.458 -4.063 1.00 0.00 H new ATOM 0 HD13 ILE A 112 116.068 4.196 -2.531 1.00 0.00 H new ATOM 1720 N THR A 113 121.051 0.701 -1.528 1.00 0.00 N ATOM 1721 CA THR A 113 121.255 -0.582 -0.854 1.00 0.00 C ATOM 1722 C THR A 113 121.613 -0.498 0.644 1.00 0.00 C ATOM 1723 O THR A 113 121.071 -1.307 1.401 1.00 0.00 O ATOM 1724 CB THR A 113 122.247 -1.471 -1.630 1.00 0.00 C ATOM 1725 OG1 THR A 113 122.038 -2.824 -1.254 1.00 0.00 O ATOM 1726 CG2 THR A 113 123.713 -1.109 -1.365 1.00 0.00 C ATOM 0 H THR A 113 121.492 0.770 -2.445 1.00 0.00 H new ATOM 0 HA THR A 113 120.273 -1.055 -0.864 1.00 0.00 H new ATOM 0 HB THR A 113 122.060 -1.313 -2.692 1.00 0.00 H new ATOM 0 HG1 THR A 113 122.663 -3.400 -1.743 1.00 0.00 H new ATOM 0 HG21 THR A 113 124.361 -1.771 -1.940 1.00 0.00 H new ATOM 0 HG22 THR A 113 123.892 -0.076 -1.663 1.00 0.00 H new ATOM 0 HG23 THR A 113 123.930 -1.223 -0.303 1.00 0.00 H new ATOM 1734 N PRO A 114 122.432 0.427 1.127 1.00 0.00 N ATOM 1735 CA PRO A 114 122.839 0.415 2.572 1.00 0.00 C ATOM 1736 C PRO A 114 121.640 0.524 3.516 1.00 0.00 C ATOM 1737 O PRO A 114 121.664 -0.016 4.623 1.00 0.00 O ATOM 1738 CB PRO A 114 123.777 1.617 2.733 1.00 0.00 C ATOM 1739 CG PRO A 114 124.206 1.966 1.351 1.00 0.00 C ATOM 1740 CD PRO A 114 123.029 1.598 0.454 1.00 0.00 C ATOM 0 HA PRO A 114 123.322 -0.526 2.834 1.00 0.00 H new ATOM 0 HB2 PRO A 114 123.266 2.454 3.210 1.00 0.00 H new ATOM 0 HB3 PRO A 114 124.633 1.367 3.360 1.00 0.00 H new ATOM 0 HG2 PRO A 114 124.445 3.027 1.270 1.00 0.00 H new ATOM 0 HG3 PRO A 114 125.103 1.415 1.068 1.00 0.00 H new ATOM 0 HD2 PRO A 114 122.317 2.419 0.371 1.00 0.00 H new ATOM 0 HD3 PRO A 114 123.356 1.356 -0.557 1.00 0.00 H new ATOM 1748 N ILE A 115 120.595 1.221 3.076 1.00 0.00 N ATOM 1749 CA ILE A 115 119.385 1.387 3.892 1.00 0.00 C ATOM 1750 C ILE A 115 118.260 0.417 3.512 1.00 0.00 C ATOM 1751 O ILE A 115 117.151 0.552 4.019 1.00 0.00 O ATOM 1752 CB ILE A 115 118.844 2.826 3.814 1.00 0.00 C ATOM 1753 CG1 ILE A 115 118.770 3.313 2.357 1.00 0.00 C ATOM 1754 CG2 ILE A 115 119.738 3.763 4.629 1.00 0.00 C ATOM 1755 CD1 ILE A 115 117.994 4.635 2.266 1.00 0.00 C ATOM 0 H ILE A 115 120.557 1.679 2.165 1.00 0.00 H new ATOM 0 HA ILE A 115 119.697 1.161 4.912 1.00 0.00 H new ATOM 0 HB ILE A 115 117.836 2.833 4.228 1.00 0.00 H new ATOM 0 HG12 ILE A 115 119.777 3.448 1.962 1.00 0.00 H new ATOM 0 HG13 ILE A 115 118.284 2.557 1.740 1.00 0.00 H new ATOM 0 HG21 ILE A 115 119.349 4.780 4.569 1.00 0.00 H new ATOM 0 HG22 ILE A 115 119.751 3.440 5.670 1.00 0.00 H new ATOM 0 HG23 ILE A 115 120.752 3.738 4.229 1.00 0.00 H new ATOM 0 HD11 ILE A 115 117.953 4.962 1.227 1.00 0.00 H new ATOM 0 HD12 ILE A 115 116.981 4.489 2.640 1.00 0.00 H new ATOM 0 HD13 ILE A 115 118.496 5.394 2.866 1.00 0.00 H new ATOM 1767 N ARG A 116 118.524 -0.550 2.634 1.00 0.00 N ATOM 1768 CA ARG A 116 117.500 -1.512 2.235 1.00 0.00 C ATOM 1769 C ARG A 116 117.305 -2.565 3.323 1.00 0.00 C ATOM 1770 O ARG A 116 118.269 -3.016 3.941 1.00 0.00 O ATOM 1771 CB ARG A 116 117.915 -2.194 0.931 1.00 0.00 C ATOM 1772 CG ARG A 116 116.772 -3.073 0.423 1.00 0.00 C ATOM 1773 CD ARG A 116 117.235 -3.843 -0.815 1.00 0.00 C ATOM 1774 NE ARG A 116 117.623 -2.912 -1.878 1.00 0.00 N ATOM 1775 CZ ARG A 116 118.016 -3.305 -3.100 1.00 0.00 C ATOM 1776 NH1 ARG A 116 118.077 -4.568 -3.442 1.00 0.00 N ATOM 1777 NH2 ARG A 116 118.348 -2.397 -3.977 1.00 0.00 N ATOM 0 H ARG A 116 119.431 -0.687 2.189 1.00 0.00 H new ATOM 0 HA ARG A 116 116.560 -0.981 2.087 1.00 0.00 H new ATOM 0 HB2 ARG A 116 118.170 -1.444 0.182 1.00 0.00 H new ATOM 0 HB3 ARG A 116 118.807 -2.799 1.094 1.00 0.00 H new ATOM 0 HG2 ARG A 116 116.460 -3.769 1.202 1.00 0.00 H new ATOM 0 HG3 ARG A 116 115.906 -2.458 0.179 1.00 0.00 H new ATOM 0 HD2 ARG A 116 118.078 -4.484 -0.558 1.00 0.00 H new ATOM 0 HD3 ARG A 116 116.435 -4.494 -1.167 1.00 0.00 H new ATOM 0 HE ARG A 116 117.593 -1.912 -1.679 1.00 0.00 H new ATOM 0 HH11 ARG A 116 117.821 -5.291 -2.770 1.00 0.00 H new ATOM 0 HH12 ARG A 116 118.381 -4.828 -4.380 1.00 0.00 H new ATOM 0 HH21 ARG A 116 118.306 -1.409 -3.729 1.00 0.00 H new ATOM 0 HH22 ARG A 116 118.649 -2.676 -4.911 1.00 0.00 H new ATOM 1791 N ALA A 117 116.054 -2.954 3.554 1.00 0.00 N ATOM 1792 CA ALA A 117 115.744 -3.933 4.589 1.00 0.00 C ATOM 1793 C ALA A 117 115.905 -5.358 4.071 1.00 0.00 C ATOM 1794 O ALA A 117 115.534 -5.665 2.938 1.00 0.00 O ATOM 1795 CB ALA A 117 114.305 -3.736 5.064 1.00 0.00 C ATOM 0 H ALA A 117 115.243 -2.608 3.041 1.00 0.00 H new ATOM 0 HA ALA A 117 116.440 -3.783 5.414 1.00 0.00 H new ATOM 0 HB1 ALA A 117 114.074 -4.468 5.838 1.00 0.00 H new ATOM 0 HB2 ALA A 117 114.190 -2.731 5.470 1.00 0.00 H new ATOM 0 HB3 ALA A 117 113.623 -3.868 4.224 1.00 0.00 H new ATOM 1883 N ILE A 125 114.418 -6.940 0.244 1.00 0.00 N ATOM 1884 CA ILE A 125 113.123 -6.470 -0.231 1.00 0.00 C ATOM 1885 C ILE A 125 113.309 -5.532 -1.424 1.00 0.00 C ATOM 1886 O ILE A 125 114.138 -4.623 -1.392 1.00 0.00 O ATOM 1887 CB ILE A 125 112.393 -5.771 0.926 1.00 0.00 C ATOM 1888 CG1 ILE A 125 112.158 -6.781 2.057 1.00 0.00 C ATOM 1889 CG2 ILE A 125 111.036 -5.228 0.465 1.00 0.00 C ATOM 1890 CD1 ILE A 125 111.889 -6.049 3.374 1.00 0.00 C ATOM 0 HA ILE A 125 112.519 -7.312 -0.568 1.00 0.00 H new ATOM 0 HB ILE A 125 113.009 -4.941 1.272 1.00 0.00 H new ATOM 0 HG12 ILE A 125 111.313 -7.423 1.811 1.00 0.00 H new ATOM 0 HG13 ILE A 125 113.029 -7.428 2.164 1.00 0.00 H new ATOM 0 HG21 ILE A 125 110.537 -4.737 1.301 1.00 0.00 H new ATOM 0 HG22 ILE A 125 111.186 -4.509 -0.340 1.00 0.00 H new ATOM 0 HG23 ILE A 125 110.418 -6.051 0.106 1.00 0.00 H new ATOM 0 HD11 ILE A 125 111.724 -6.777 4.168 1.00 0.00 H new ATOM 0 HD12 ILE A 125 112.747 -5.426 3.626 1.00 0.00 H new ATOM 0 HD13 ILE A 125 111.004 -5.422 3.267 1.00 0.00 H new ATOM 1902 N SER A 126 112.525 -5.767 -2.472 1.00 0.00 N ATOM 1903 CA SER A 126 112.653 -5.011 -3.714 1.00 0.00 C ATOM 1904 C SER A 126 112.309 -3.539 -3.520 1.00 0.00 C ATOM 1905 O SER A 126 111.371 -3.192 -2.802 1.00 0.00 O ATOM 1906 CB SER A 126 111.728 -5.606 -4.775 1.00 0.00 C ATOM 1907 OG SER A 126 112.075 -6.969 -4.984 1.00 0.00 O ATOM 0 H SER A 126 111.793 -6.477 -2.486 1.00 0.00 H new ATOM 0 HA SER A 126 113.692 -5.077 -4.035 1.00 0.00 H new ATOM 0 HB2 SER A 126 110.689 -5.527 -4.455 1.00 0.00 H new ATOM 0 HB3 SER A 126 111.817 -5.048 -5.707 1.00 0.00 H new ATOM 0 HG SER A 126 111.484 -7.357 -5.663 1.00 0.00 H new ATOM 1913 N LEU A 127 113.087 -2.685 -4.176 1.00 0.00 N ATOM 1914 CA LEU A 127 112.776 -1.255 -4.236 1.00 0.00 C ATOM 1915 C LEU A 127 111.943 -0.893 -5.478 1.00 0.00 C ATOM 1916 O LEU A 127 111.732 0.287 -5.757 1.00 0.00 O ATOM 1917 CB LEU A 127 114.074 -0.438 -4.267 1.00 0.00 C ATOM 1918 CG LEU A 127 114.972 -0.798 -3.079 1.00 0.00 C ATOM 1919 CD1 LEU A 127 116.278 -0.007 -3.175 1.00 0.00 C ATOM 1920 CD2 LEU A 127 114.267 -0.440 -1.769 1.00 0.00 C ATOM 0 H LEU A 127 113.936 -2.954 -4.673 1.00 0.00 H new ATOM 0 HA LEU A 127 112.191 -1.019 -3.347 1.00 0.00 H new ATOM 0 HB2 LEU A 127 114.605 -0.626 -5.200 1.00 0.00 H new ATOM 0 HB3 LEU A 127 113.840 0.626 -4.242 1.00 0.00 H new ATOM 0 HG LEU A 127 115.182 -1.867 -3.099 1.00 0.00 H new ATOM 0 HD11 LEU A 127 116.920 -0.260 -2.331 1.00 0.00 H new ATOM 0 HD12 LEU A 127 116.787 -0.257 -4.106 1.00 0.00 H new ATOM 0 HD13 LEU A 127 116.059 1.061 -3.156 1.00 0.00 H new ATOM 0 HD21 LEU A 127 114.910 -0.698 -0.927 1.00 0.00 H new ATOM 0 HD22 LEU A 127 114.056 0.629 -1.750 1.00 0.00 H new ATOM 0 HD23 LEU A 127 113.332 -0.996 -1.695 1.00 0.00 H new ATOM 1932 N GLY A 128 111.471 -1.890 -6.230 1.00 0.00 N ATOM 1933 CA GLY A 128 110.789 -1.636 -7.497 1.00 0.00 C ATOM 1934 C GLY A 128 109.702 -0.569 -7.384 1.00 0.00 C ATOM 1935 O GLY A 128 109.621 0.321 -8.229 1.00 0.00 O ATOM 0 H GLY A 128 111.549 -2.877 -5.983 1.00 0.00 H new ATOM 0 HA2 GLY A 128 111.521 -1.324 -8.242 1.00 0.00 H new ATOM 0 HA3 GLY A 128 110.344 -2.564 -7.857 1.00 0.00 H new ATOM 1939 N ALA A 129 108.886 -0.639 -6.336 1.00 0.00 N ATOM 1940 CA ALA A 129 107.773 0.297 -6.193 1.00 0.00 C ATOM 1941 C ALA A 129 108.278 1.736 -6.151 1.00 0.00 C ATOM 1942 O ALA A 129 107.800 2.598 -6.891 1.00 0.00 O ATOM 1943 CB ALA A 129 106.992 -0.010 -4.915 1.00 0.00 C ATOM 0 H ALA A 129 108.971 -1.322 -5.584 1.00 0.00 H new ATOM 0 HA ALA A 129 107.117 0.182 -7.056 1.00 0.00 H new ATOM 0 HB1 ALA A 129 106.164 0.693 -4.817 1.00 0.00 H new ATOM 0 HB2 ALA A 129 106.601 -1.026 -4.963 1.00 0.00 H new ATOM 0 HB3 ALA A 129 107.653 0.085 -4.053 1.00 0.00 H new ATOM 1949 N LEU A 130 109.269 1.985 -5.304 1.00 0.00 N ATOM 1950 CA LEU A 130 109.814 3.329 -5.162 1.00 0.00 C ATOM 1951 C LEU A 130 110.358 3.828 -6.497 1.00 0.00 C ATOM 1952 O LEU A 130 110.132 4.976 -6.883 1.00 0.00 O ATOM 1953 CB LEU A 130 110.929 3.319 -4.114 1.00 0.00 C ATOM 1954 CG LEU A 130 111.438 4.742 -3.874 1.00 0.00 C ATOM 1955 CD1 LEU A 130 110.373 5.545 -3.123 1.00 0.00 C ATOM 1956 CD2 LEU A 130 112.719 4.686 -3.039 1.00 0.00 C ATOM 0 H LEU A 130 109.708 1.281 -4.710 1.00 0.00 H new ATOM 0 HA LEU A 130 109.019 4.002 -4.840 1.00 0.00 H new ATOM 0 HB2 LEU A 130 110.558 2.895 -3.181 1.00 0.00 H new ATOM 0 HB3 LEU A 130 111.748 2.683 -4.449 1.00 0.00 H new ATOM 0 HG LEU A 130 111.646 5.222 -4.830 1.00 0.00 H new ATOM 0 HD11 LEU A 130 110.735 6.559 -2.952 1.00 0.00 H new ATOM 0 HD12 LEU A 130 109.459 5.581 -3.716 1.00 0.00 H new ATOM 0 HD13 LEU A 130 110.165 5.067 -2.165 1.00 0.00 H new ATOM 0 HD21 LEU A 130 113.085 5.698 -2.866 1.00 0.00 H new ATOM 0 HD22 LEU A 130 112.509 4.207 -2.082 1.00 0.00 H new ATOM 0 HD23 LEU A 130 113.477 4.113 -3.573 1.00 0.00 H new ATOM 1968 N LEU A 131 111.051 2.949 -7.213 1.00 0.00 N ATOM 1969 CA LEU A 131 111.649 3.328 -8.486 1.00 0.00 C ATOM 1970 C LEU A 131 110.575 3.781 -9.467 1.00 0.00 C ATOM 1971 O LEU A 131 110.735 4.792 -10.147 1.00 0.00 O ATOM 1972 CB LEU A 131 112.420 2.141 -9.071 1.00 0.00 C ATOM 1973 CG LEU A 131 113.151 2.568 -10.346 1.00 0.00 C ATOM 1974 CD1 LEU A 131 114.328 3.474 -9.983 1.00 0.00 C ATOM 1975 CD2 LEU A 131 113.674 1.325 -11.069 1.00 0.00 C ATOM 0 H LEU A 131 111.211 1.980 -6.937 1.00 0.00 H new ATOM 0 HA LEU A 131 112.336 4.157 -8.315 1.00 0.00 H new ATOM 0 HB2 LEU A 131 113.136 1.766 -8.340 1.00 0.00 H new ATOM 0 HB3 LEU A 131 111.733 1.324 -9.292 1.00 0.00 H new ATOM 0 HG LEU A 131 112.463 3.109 -10.995 1.00 0.00 H new ATOM 0 HD11 LEU A 131 114.848 3.777 -10.892 1.00 0.00 H new ATOM 0 HD12 LEU A 131 113.960 4.359 -9.463 1.00 0.00 H new ATOM 0 HD13 LEU A 131 115.017 2.933 -9.335 1.00 0.00 H new ATOM 0 HD21 LEU A 131 114.195 1.625 -11.978 1.00 0.00 H new ATOM 0 HD22 LEU A 131 114.362 0.787 -10.417 1.00 0.00 H new ATOM 0 HD23 LEU A 131 112.838 0.676 -11.328 1.00 0.00 H new ATOM 1987 N SER A 132 109.466 3.052 -9.513 1.00 0.00 N ATOM 1988 CA SER A 132 108.400 3.368 -10.455 1.00 0.00 C ATOM 1989 C SER A 132 107.877 4.779 -10.215 1.00 0.00 C ATOM 1990 O SER A 132 107.709 5.554 -11.156 1.00 0.00 O ATOM 1991 CB SER A 132 107.257 2.364 -10.310 1.00 0.00 C ATOM 1992 OG SER A 132 106.316 2.573 -11.356 1.00 0.00 O ATOM 0 H SER A 132 109.283 2.246 -8.915 1.00 0.00 H new ATOM 0 HA SER A 132 108.804 3.309 -11.466 1.00 0.00 H new ATOM 0 HB2 SER A 132 107.644 1.346 -10.351 1.00 0.00 H new ATOM 0 HB3 SER A 132 106.773 2.483 -9.340 1.00 0.00 H new ATOM 0 HG SER A 132 105.581 1.930 -11.268 1.00 0.00 H new ATOM 1998 N THR A 133 107.657 5.120 -8.949 1.00 0.00 N ATOM 1999 CA THR A 133 107.109 6.431 -8.620 1.00 0.00 C ATOM 2000 C THR A 133 108.037 7.538 -9.111 1.00 0.00 C ATOM 2001 O THR A 133 107.601 8.490 -9.763 1.00 0.00 O ATOM 2002 CB THR A 133 106.916 6.553 -7.107 1.00 0.00 C ATOM 2003 OG1 THR A 133 106.132 5.463 -6.643 1.00 0.00 O ATOM 2004 CG2 THR A 133 106.205 7.869 -6.783 1.00 0.00 C ATOM 0 H THR A 133 107.846 4.519 -8.147 1.00 0.00 H new ATOM 0 HA THR A 133 106.144 6.536 -9.116 1.00 0.00 H new ATOM 0 HB THR A 133 107.889 6.539 -6.615 1.00 0.00 H new ATOM 0 HG1 THR A 133 106.008 5.538 -5.674 1.00 0.00 H new ATOM 0 HG21 THR A 133 106.069 7.953 -5.705 1.00 0.00 H new ATOM 0 HG22 THR A 133 106.807 8.705 -7.139 1.00 0.00 H new ATOM 0 HG23 THR A 133 105.232 7.887 -7.274 1.00 0.00 H new ATOM 2012 N THR A 134 109.327 7.392 -8.826 1.00 0.00 N ATOM 2013 CA THR A 134 110.291 8.419 -9.202 1.00 0.00 C ATOM 2014 C THR A 134 110.361 8.574 -10.719 1.00 0.00 C ATOM 2015 O THR A 134 110.441 9.690 -11.230 1.00 0.00 O ATOM 2016 CB THR A 134 111.673 8.081 -8.642 1.00 0.00 C ATOM 2017 OG1 THR A 134 111.557 7.829 -7.249 1.00 0.00 O ATOM 2018 CG2 THR A 134 112.619 9.262 -8.870 1.00 0.00 C ATOM 0 H THR A 134 109.724 6.586 -8.344 1.00 0.00 H new ATOM 0 HA THR A 134 109.959 9.366 -8.777 1.00 0.00 H new ATOM 0 HB THR A 134 112.070 7.199 -9.145 1.00 0.00 H new ATOM 0 HG1 THR A 134 111.241 6.912 -7.108 1.00 0.00 H new ATOM 0 HG21 THR A 134 113.604 9.021 -8.471 1.00 0.00 H new ATOM 0 HG22 THR A 134 112.699 9.463 -9.938 1.00 0.00 H new ATOM 0 HG23 THR A 134 112.228 10.144 -8.363 1.00 0.00 H new ATOM 2026 N LEU A 135 110.312 7.457 -11.440 1.00 0.00 N ATOM 2027 CA LEU A 135 110.361 7.503 -12.899 1.00 0.00 C ATOM 2028 C LEU A 135 109.188 8.304 -13.455 1.00 0.00 C ATOM 2029 O LEU A 135 109.345 9.060 -14.414 1.00 0.00 O ATOM 2030 CB LEU A 135 110.331 6.085 -13.474 1.00 0.00 C ATOM 2031 CG LEU A 135 111.627 5.356 -13.115 1.00 0.00 C ATOM 2032 CD1 LEU A 135 111.491 3.872 -13.456 1.00 0.00 C ATOM 2033 CD2 LEU A 135 112.784 5.954 -13.917 1.00 0.00 C ATOM 0 H LEU A 135 110.239 6.520 -11.044 1.00 0.00 H new ATOM 0 HA LEU A 135 111.290 7.992 -13.191 1.00 0.00 H new ATOM 0 HB2 LEU A 135 109.474 5.540 -13.078 1.00 0.00 H new ATOM 0 HB3 LEU A 135 110.212 6.124 -14.557 1.00 0.00 H new ATOM 0 HG LEU A 135 111.822 5.468 -12.048 1.00 0.00 H new ATOM 0 HD11 LEU A 135 112.415 3.354 -13.200 1.00 0.00 H new ATOM 0 HD12 LEU A 135 110.665 3.443 -12.889 1.00 0.00 H new ATOM 0 HD13 LEU A 135 111.296 3.760 -14.523 1.00 0.00 H new ATOM 0 HD21 LEU A 135 113.709 5.436 -13.663 1.00 0.00 H new ATOM 0 HD22 LEU A 135 112.585 5.840 -14.983 1.00 0.00 H new ATOM 0 HD23 LEU A 135 112.884 7.013 -13.678 1.00 0.00 H new ATOM 2045 N ASN A 136 108.015 8.136 -12.853 1.00 0.00 N ATOM 2046 CA ASN A 136 106.835 8.868 -13.296 1.00 0.00 C ATOM 2047 C ASN A 136 107.081 10.371 -13.209 1.00 0.00 C ATOM 2048 O ASN A 136 106.718 11.124 -14.113 1.00 0.00 O ATOM 2049 CB ASN A 136 105.631 8.497 -12.426 1.00 0.00 C ATOM 2050 CG ASN A 136 105.290 7.020 -12.596 1.00 0.00 C ATOM 2051 OD1 ASN A 136 105.635 6.410 -13.608 1.00 0.00 O ATOM 2052 ND2 ASN A 136 104.627 6.403 -11.655 1.00 0.00 N ATOM 0 H ASN A 136 107.857 7.507 -12.066 1.00 0.00 H new ATOM 0 HA ASN A 136 106.629 8.600 -14.332 1.00 0.00 H new ATOM 0 HB2 ASN A 136 105.851 8.708 -11.380 1.00 0.00 H new ATOM 0 HB3 ASN A 136 104.772 9.109 -12.701 1.00 0.00 H new ATOM 0 HD21 ASN A 136 104.395 5.415 -11.758 1.00 0.00 H new ATOM 0 HD22 ASN A 136 104.341 6.909 -10.817 1.00 0.00 H new ATOM 2059 N LEU A 137 107.700 10.798 -12.114 1.00 0.00 N ATOM 2060 CA LEU A 137 108.030 12.211 -11.941 1.00 0.00 C ATOM 2061 C LEU A 137 109.015 12.674 -13.012 1.00 0.00 C ATOM 2062 O LEU A 137 108.901 13.783 -13.535 1.00 0.00 O ATOM 2063 CB LEU A 137 108.636 12.442 -10.553 1.00 0.00 C ATOM 2064 CG LEU A 137 107.668 11.962 -9.468 1.00 0.00 C ATOM 2065 CD1 LEU A 137 108.321 12.131 -8.095 1.00 0.00 C ATOM 2066 CD2 LEU A 137 106.378 12.788 -9.513 1.00 0.00 C ATOM 0 H LEU A 137 107.981 10.196 -11.340 1.00 0.00 H new ATOM 0 HA LEU A 137 107.111 12.789 -12.038 1.00 0.00 H new ATOM 0 HB2 LEU A 137 109.583 11.909 -10.468 1.00 0.00 H new ATOM 0 HB3 LEU A 137 108.853 13.501 -10.414 1.00 0.00 H new ATOM 0 HG LEU A 137 107.431 10.912 -9.642 1.00 0.00 H new ATOM 0 HD11 LEU A 137 107.634 11.790 -7.321 1.00 0.00 H new ATOM 0 HD12 LEU A 137 109.237 11.541 -8.053 1.00 0.00 H new ATOM 0 HD13 LEU A 137 108.558 13.182 -7.932 1.00 0.00 H new ATOM 0 HD21 LEU A 137 105.696 12.439 -8.738 1.00 0.00 H new ATOM 0 HD22 LEU A 137 106.613 13.839 -9.344 1.00 0.00 H new ATOM 0 HD23 LEU A 137 105.907 12.674 -10.489 1.00 0.00 H new ATOM 2078 N CYS A 138 109.979 11.818 -13.335 1.00 0.00 N ATOM 2079 CA CYS A 138 110.931 12.114 -14.405 1.00 0.00 C ATOM 2080 C CYS A 138 110.234 12.305 -15.757 1.00 0.00 C ATOM 2081 O CYS A 138 110.761 12.987 -16.635 1.00 0.00 O ATOM 2082 CB CYS A 138 111.944 10.969 -14.522 1.00 0.00 C ATOM 2083 SG CYS A 138 113.279 11.142 -13.304 1.00 0.00 S ATOM 0 H CYS A 138 110.123 10.919 -12.876 1.00 0.00 H new ATOM 0 HA CYS A 138 111.434 13.046 -14.149 1.00 0.00 H new ATOM 0 HB2 CYS A 138 111.437 10.015 -14.376 1.00 0.00 H new ATOM 0 HB3 CYS A 138 112.365 10.955 -15.527 1.00 0.00 H new ATOM 2088 N GLY A 139 109.053 11.709 -15.928 1.00 0.00 N ATOM 2089 CA GLY A 139 108.322 11.822 -17.188 1.00 0.00 C ATOM 2090 C GLY A 139 108.765 10.782 -18.223 1.00 0.00 C ATOM 2091 O GLY A 139 108.579 10.986 -19.422 1.00 0.00 O ATOM 0 H GLY A 139 108.586 11.148 -15.215 1.00 0.00 H new ATOM 0 HA2 GLY A 139 107.255 11.706 -16.996 1.00 0.00 H new ATOM 0 HA3 GLY A 139 108.466 12.821 -17.599 1.00 0.00 H new