USER MOD reduce.3.24.130724 H: found=0, std=0, add=552, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 553 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 88 GLN : amide:sc= -0.5 K(o=-0.38,f=-2.6!) USER MOD Set 1.2: A 115 TYR OH : rot -149:sc= 0.118 USER MOD Single : A 74 ASN : amide:sc= -0.055 X(o=-0.055,f=0) USER MOD Single : A 76 ASN : amide:sc= -1.28 X(o=-1.3,f=-1.4!) USER MOD Single : A 77 LYS NZ :NH3+ 159:sc= 0 (180deg=-0.132) USER MOD Single : A 82 GLN : amide:sc= -0.0431 X(o=-0.043,f=0) USER MOD Single : A 87 THR OG1 : rot 66:sc= 0.844 USER MOD Single : A 93 GLN : amide:sc= -1.35 K(o=-1.4,f=-6.6!) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 ASN : amide:sc= 0 X(o=0,f=-0.01) USER MOD Single : A 109 SER OG : rot 160:sc= -0.747 USER MOD Single : A 117 GLN : amide:sc= -0.205 X(o=-0.2,f=-0.4) USER MOD Single : A 118 CYS SG : rot -127:sc= -0.193 USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 126 THR OG1 : rot 180:sc= -0.0832 USER MOD Single : A 129 SER OG : rot 180:sc= 0 USER MOD Single : A 130 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 132 THR OG1 : rot 100:sc= -1.92 USER MOD Single : A 134 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 915 N PHE A 65 11.158 -3.989 3.121 1.00 0.00 N ATOM 916 CA PHE A 65 10.301 -3.028 3.807 1.00 0.00 C ATOM 917 C PHE A 65 9.638 -3.664 5.024 1.00 0.00 C ATOM 918 O PHE A 65 9.566 -4.888 5.136 1.00 0.00 O ATOM 919 CB PHE A 65 9.234 -2.492 2.852 1.00 0.00 C ATOM 920 CG PHE A 65 9.794 -1.676 1.722 1.00 0.00 C ATOM 921 CD1 PHE A 65 10.274 -0.396 1.946 1.00 0.00 C ATOM 922 CD2 PHE A 65 9.841 -2.191 0.436 1.00 0.00 C ATOM 923 CE1 PHE A 65 10.790 0.357 0.908 1.00 0.00 C ATOM 924 CE2 PHE A 65 10.356 -1.444 -0.606 1.00 0.00 C ATOM 925 CZ PHE A 65 10.831 -0.168 -0.370 1.00 0.00 C ATOM 0 HA PHE A 65 10.924 -2.200 4.146 1.00 0.00 H new ATOM 0 HB2 PHE A 65 8.673 -3.331 2.440 1.00 0.00 H new ATOM 0 HB3 PHE A 65 8.528 -1.882 3.415 1.00 0.00 H new ATOM 0 HD1 PHE A 65 10.245 0.018 2.943 1.00 0.00 H new ATOM 0 HD2 PHE A 65 9.471 -3.188 0.246 1.00 0.00 H new ATOM 0 HE1 PHE A 65 11.161 1.354 1.095 1.00 0.00 H new ATOM 0 HE2 PHE A 65 10.387 -1.857 -1.604 1.00 0.00 H new ATOM 0 HZ PHE A 65 11.234 0.418 -1.183 1.00 0.00 H new ATOM 935 N ARG A 66 9.153 -2.825 5.933 1.00 0.00 N ATOM 936 CA ARG A 66 8.494 -3.305 7.142 1.00 0.00 C ATOM 937 C ARG A 66 7.162 -2.594 7.353 1.00 0.00 C ATOM 938 O ARG A 66 6.730 -1.801 6.515 1.00 0.00 O ATOM 939 CB ARG A 66 9.400 -3.094 8.359 1.00 0.00 C ATOM 940 CG ARG A 66 9.576 -4.343 9.209 1.00 0.00 C ATOM 941 CD ARG A 66 10.954 -4.956 9.023 1.00 0.00 C ATOM 942 NE ARG A 66 11.193 -6.058 9.953 1.00 0.00 N ATOM 943 CZ ARG A 66 10.721 -7.290 9.779 1.00 0.00 C ATOM 944 NH1 ARG A 66 9.984 -7.583 8.714 1.00 0.00 N ATOM 945 NH2 ARG A 66 10.986 -8.234 10.671 1.00 0.00 N ATOM 0 H ARG A 66 9.204 -1.809 5.855 1.00 0.00 H new ATOM 0 HA ARG A 66 8.300 -4.371 7.023 1.00 0.00 H new ATOM 0 HB2 ARG A 66 10.378 -2.755 8.019 1.00 0.00 H new ATOM 0 HB3 ARG A 66 8.984 -2.299 8.978 1.00 0.00 H new ATOM 0 HG2 ARG A 66 9.427 -4.093 10.259 1.00 0.00 H new ATOM 0 HG3 ARG A 66 8.813 -5.075 8.944 1.00 0.00 H new ATOM 0 HD2 ARG A 66 11.055 -5.317 7.999 1.00 0.00 H new ATOM 0 HD3 ARG A 66 11.715 -4.189 9.167 1.00 0.00 H new ATOM 0 HE ARG A 66 11.754 -5.872 10.784 1.00 0.00 H new ATOM 0 HH11 ARG A 66 9.777 -6.862 8.023 1.00 0.00 H new ATOM 0 HH12 ARG A 66 9.625 -8.529 8.587 1.00 0.00 H new ATOM 0 HH21 ARG A 66 11.552 -8.016 11.491 1.00 0.00 H new ATOM 0 HH22 ARG A 66 10.624 -9.178 10.537 1.00 0.00 H new ATOM 959 N VAL A 67 6.513 -2.883 8.476 1.00 0.00 N ATOM 960 CA VAL A 67 5.229 -2.271 8.796 1.00 0.00 C ATOM 961 C VAL A 67 5.414 -1.027 9.659 1.00 0.00 C ATOM 962 O VAL A 67 6.032 -1.083 10.722 1.00 0.00 O ATOM 963 CB VAL A 67 4.301 -3.259 9.531 1.00 0.00 C ATOM 964 CG1 VAL A 67 2.919 -2.654 9.722 1.00 0.00 C ATOM 965 CG2 VAL A 67 4.214 -4.576 8.772 1.00 0.00 C ATOM 0 H VAL A 67 6.855 -3.537 9.180 1.00 0.00 H new ATOM 0 HA VAL A 67 4.769 -1.989 7.849 1.00 0.00 H new ATOM 0 HB VAL A 67 4.723 -3.460 10.516 1.00 0.00 H new ATOM 0 HG11 VAL A 67 2.279 -3.366 10.242 1.00 0.00 H new ATOM 0 HG12 VAL A 67 3.000 -1.741 10.311 1.00 0.00 H new ATOM 0 HG13 VAL A 67 2.486 -2.421 8.749 1.00 0.00 H new ATOM 0 HG21 VAL A 67 3.555 -5.261 9.306 1.00 0.00 H new ATOM 0 HG22 VAL A 67 3.817 -4.395 7.773 1.00 0.00 H new ATOM 0 HG23 VAL A 67 5.208 -5.017 8.693 1.00 0.00 H new ATOM 975 N GLY A 68 4.875 0.095 9.194 1.00 0.00 N ATOM 976 CA GLY A 68 4.992 1.337 9.936 1.00 0.00 C ATOM 977 C GLY A 68 6.179 2.169 9.491 1.00 0.00 C ATOM 978 O GLY A 68 6.738 2.934 10.277 1.00 0.00 O ATOM 0 H GLY A 68 4.359 0.167 8.317 1.00 0.00 H new ATOM 0 HA2 GLY A 68 4.078 1.918 9.812 1.00 0.00 H new ATOM 0 HA3 GLY A 68 5.086 1.114 10.999 1.00 0.00 H new ATOM 982 N GLU A 69 6.563 2.021 8.228 1.00 0.00 N ATOM 983 CA GLU A 69 7.691 2.764 7.679 1.00 0.00 C ATOM 984 C GLU A 69 7.233 3.708 6.572 1.00 0.00 C ATOM 985 O GLU A 69 6.104 3.616 6.092 1.00 0.00 O ATOM 986 CB GLU A 69 8.749 1.801 7.138 1.00 0.00 C ATOM 987 CG GLU A 69 9.468 1.014 8.222 1.00 0.00 C ATOM 988 CD GLU A 69 10.973 1.007 8.036 1.00 0.00 C ATOM 989 OE1 GLU A 69 11.428 0.950 6.873 1.00 0.00 O ATOM 990 OE2 GLU A 69 11.697 1.055 9.051 1.00 0.00 O ATOM 0 H GLU A 69 6.109 1.393 7.565 1.00 0.00 H new ATOM 0 HA GLU A 69 8.127 3.358 8.482 1.00 0.00 H new ATOM 0 HB2 GLU A 69 8.274 1.103 6.449 1.00 0.00 H new ATOM 0 HB3 GLU A 69 9.483 2.366 6.564 1.00 0.00 H new ATOM 0 HG2 GLU A 69 9.228 1.441 9.196 1.00 0.00 H new ATOM 0 HG3 GLU A 69 9.101 -0.012 8.225 1.00 0.00 H new ATOM 997 N ARG A 70 8.119 4.614 6.169 1.00 0.00 N ATOM 998 CA ARG A 70 7.805 5.573 5.117 1.00 0.00 C ATOM 999 C ARG A 70 8.298 5.074 3.762 1.00 0.00 C ATOM 1000 O ARG A 70 9.469 4.731 3.604 1.00 0.00 O ATOM 1001 CB ARG A 70 8.435 6.932 5.432 1.00 0.00 C ATOM 1002 CG ARG A 70 7.919 8.058 4.553 1.00 0.00 C ATOM 1003 CD ARG A 70 6.753 8.785 5.205 1.00 0.00 C ATOM 1004 NE ARG A 70 7.136 9.411 6.468 1.00 0.00 N ATOM 1005 CZ ARG A 70 7.916 10.486 6.555 1.00 0.00 C ATOM 1006 NH1 ARG A 70 8.397 11.057 5.458 1.00 0.00 N ATOM 1007 NH2 ARG A 70 8.216 10.992 7.744 1.00 0.00 N ATOM 0 H ARG A 70 9.059 4.704 6.555 1.00 0.00 H new ATOM 0 HA ARG A 70 6.722 5.684 5.072 1.00 0.00 H new ATOM 0 HB2 ARG A 70 8.242 7.179 6.476 1.00 0.00 H new ATOM 0 HB3 ARG A 70 9.516 6.858 5.316 1.00 0.00 H new ATOM 0 HG2 ARG A 70 8.725 8.765 4.355 1.00 0.00 H new ATOM 0 HG3 ARG A 70 7.605 7.655 3.590 1.00 0.00 H new ATOM 0 HD2 ARG A 70 6.374 9.546 4.523 1.00 0.00 H new ATOM 0 HD3 ARG A 70 5.940 8.081 5.381 1.00 0.00 H new ATOM 0 HE ARG A 70 6.785 9.001 7.333 1.00 0.00 H new ATOM 0 HH11 ARG A 70 8.170 10.672 4.541 1.00 0.00 H new ATOM 0 HH12 ARG A 70 8.994 11.881 5.532 1.00 0.00 H new ATOM 0 HH21 ARG A 70 7.849 10.557 8.591 1.00 0.00 H new ATOM 0 HH22 ARG A 70 8.814 11.816 7.812 1.00 0.00 H new ATOM 1021 N VAL A 71 7.395 5.036 2.788 1.00 0.00 N ATOM 1022 CA VAL A 71 7.738 4.578 1.448 1.00 0.00 C ATOM 1023 C VAL A 71 7.076 5.447 0.385 1.00 0.00 C ATOM 1024 O VAL A 71 6.098 6.143 0.657 1.00 0.00 O ATOM 1025 CB VAL A 71 7.320 3.113 1.229 1.00 0.00 C ATOM 1026 CG1 VAL A 71 8.156 2.183 2.096 1.00 0.00 C ATOM 1027 CG2 VAL A 71 5.837 2.932 1.517 1.00 0.00 C ATOM 0 H VAL A 71 6.421 5.317 2.902 1.00 0.00 H new ATOM 0 HA VAL A 71 8.821 4.656 1.356 1.00 0.00 H new ATOM 0 HB VAL A 71 7.498 2.856 0.185 1.00 0.00 H new ATOM 0 HG11 VAL A 71 7.846 1.152 1.927 1.00 0.00 H new ATOM 0 HG12 VAL A 71 9.209 2.292 1.837 1.00 0.00 H new ATOM 0 HG13 VAL A 71 8.013 2.438 3.146 1.00 0.00 H new ATOM 0 HG21 VAL A 71 5.560 1.890 1.357 1.00 0.00 H new ATOM 0 HG22 VAL A 71 5.631 3.207 2.551 1.00 0.00 H new ATOM 0 HG23 VAL A 71 5.256 3.569 0.849 1.00 0.00 H new ATOM 1037 N TRP A 72 7.616 5.402 -0.829 1.00 0.00 N ATOM 1038 CA TRP A 72 7.079 6.187 -1.935 1.00 0.00 C ATOM 1039 C TRP A 72 6.478 5.279 -3.003 1.00 0.00 C ATOM 1040 O TRP A 72 7.202 4.612 -3.743 1.00 0.00 O ATOM 1041 CB TRP A 72 8.175 7.058 -2.550 1.00 0.00 C ATOM 1042 CG TRP A 72 8.274 8.416 -1.924 1.00 0.00 C ATOM 1043 CD1 TRP A 72 7.982 9.612 -2.511 1.00 0.00 C ATOM 1044 CD2 TRP A 72 8.698 8.715 -0.590 1.00 0.00 C ATOM 1045 NE1 TRP A 72 8.197 10.638 -1.624 1.00 0.00 N ATOM 1046 CE2 TRP A 72 8.638 10.114 -0.437 1.00 0.00 C ATOM 1047 CE3 TRP A 72 9.123 7.937 0.492 1.00 0.00 C ATOM 1048 CZ2 TRP A 72 8.986 10.748 0.753 1.00 0.00 C ATOM 1049 CZ3 TRP A 72 9.468 8.570 1.671 1.00 0.00 C ATOM 1050 CH2 TRP A 72 9.398 9.962 1.794 1.00 0.00 C ATOM 0 H TRP A 72 8.425 4.830 -1.072 1.00 0.00 H new ATOM 0 HA TRP A 72 6.291 6.830 -1.542 1.00 0.00 H new ATOM 0 HB2 TRP A 72 9.133 6.549 -2.450 1.00 0.00 H new ATOM 0 HB3 TRP A 72 7.984 7.171 -3.617 1.00 0.00 H new ATOM 0 HD1 TRP A 72 7.633 9.734 -3.526 1.00 0.00 H new ATOM 0 HE1 TRP A 72 8.052 11.629 -1.817 1.00 0.00 H new ATOM 0 HE3 TRP A 72 9.180 6.862 0.408 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 8.933 11.822 0.851 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 9.798 7.979 2.513 1.00 0.00 H new ATOM 0 HH2 TRP A 72 9.675 10.425 2.730 1.00 0.00 H new ATOM 1061 N VAL A 73 5.152 5.260 -3.080 1.00 0.00 N ATOM 1062 CA VAL A 73 4.458 4.435 -4.062 1.00 0.00 C ATOM 1063 C VAL A 73 4.677 4.967 -5.474 1.00 0.00 C ATOM 1064 O VAL A 73 4.544 6.164 -5.724 1.00 0.00 O ATOM 1065 CB VAL A 73 2.946 4.367 -3.777 1.00 0.00 C ATOM 1066 CG1 VAL A 73 2.276 3.342 -4.679 1.00 0.00 C ATOM 1067 CG2 VAL A 73 2.693 4.045 -2.311 1.00 0.00 C ATOM 0 H VAL A 73 4.537 5.805 -2.476 1.00 0.00 H new ATOM 0 HA VAL A 73 4.876 3.431 -3.984 1.00 0.00 H new ATOM 0 HB VAL A 73 2.511 5.343 -3.992 1.00 0.00 H new ATOM 0 HG11 VAL A 73 1.208 3.309 -4.462 1.00 0.00 H new ATOM 0 HG12 VAL A 73 2.426 3.622 -5.722 1.00 0.00 H new ATOM 0 HG13 VAL A 73 2.713 2.359 -4.501 1.00 0.00 H new ATOM 0 HG21 VAL A 73 1.619 4.001 -2.128 1.00 0.00 H new ATOM 0 HG22 VAL A 73 3.142 3.082 -2.067 1.00 0.00 H new ATOM 0 HG23 VAL A 73 3.136 4.821 -1.686 1.00 0.00 H new ATOM 1077 N ASN A 74 5.020 4.070 -6.392 1.00 0.00 N ATOM 1078 CA ASN A 74 5.263 4.451 -7.779 1.00 0.00 C ATOM 1079 C ASN A 74 6.464 5.390 -7.891 1.00 0.00 C ATOM 1080 O ASN A 74 6.649 6.055 -8.910 1.00 0.00 O ATOM 1081 CB ASN A 74 4.020 5.118 -8.373 1.00 0.00 C ATOM 1082 CG ASN A 74 3.142 4.138 -9.125 1.00 0.00 C ATOM 1083 OD1 ASN A 74 2.725 4.401 -10.254 1.00 0.00 O ATOM 1084 ND2 ASN A 74 2.856 3.001 -8.503 1.00 0.00 N ATOM 0 H ASN A 74 5.136 3.075 -6.201 1.00 0.00 H new ATOM 0 HA ASN A 74 5.485 3.544 -8.342 1.00 0.00 H new ATOM 0 HB2 ASN A 74 3.442 5.580 -7.573 1.00 0.00 H new ATOM 0 HB3 ASN A 74 4.327 5.918 -9.047 1.00 0.00 H new ATOM 0 HD21 ASN A 74 2.269 2.303 -8.960 1.00 0.00 H new ATOM 0 HD22 ASN A 74 3.223 2.825 -7.568 1.00 0.00 H new ATOM 1091 N GLY A 75 7.280 5.438 -6.840 1.00 0.00 N ATOM 1092 CA GLY A 75 8.451 6.295 -6.848 1.00 0.00 C ATOM 1093 C GLY A 75 8.100 7.770 -6.871 1.00 0.00 C ATOM 1094 O GLY A 75 8.851 8.583 -7.409 1.00 0.00 O ATOM 0 H GLY A 75 7.150 4.898 -5.984 1.00 0.00 H new ATOM 0 HA2 GLY A 75 9.056 6.084 -5.966 1.00 0.00 H new ATOM 0 HA3 GLY A 75 9.063 6.058 -7.718 1.00 0.00 H new ATOM 1098 N ASN A 76 6.958 8.121 -6.285 1.00 0.00 N ATOM 1099 CA ASN A 76 6.519 9.511 -6.243 1.00 0.00 C ATOM 1100 C ASN A 76 5.220 9.656 -5.456 1.00 0.00 C ATOM 1101 O ASN A 76 4.321 10.398 -5.854 1.00 0.00 O ATOM 1102 CB ASN A 76 6.335 10.055 -7.662 1.00 0.00 C ATOM 1103 CG ASN A 76 5.231 9.342 -8.418 1.00 0.00 C ATOM 1104 OD1 ASN A 76 5.373 8.181 -8.799 1.00 0.00 O ATOM 1105 ND2 ASN A 76 4.121 10.038 -8.639 1.00 0.00 N ATOM 0 H ASN A 76 6.322 7.463 -5.834 1.00 0.00 H new ATOM 0 HA ASN A 76 7.291 10.090 -5.736 1.00 0.00 H new ATOM 0 HB2 ASN A 76 6.108 11.120 -7.613 1.00 0.00 H new ATOM 0 HB3 ASN A 76 7.271 9.953 -8.211 1.00 0.00 H new ATOM 0 HD21 ASN A 76 3.343 9.611 -9.143 1.00 0.00 H new ATOM 0 HD22 ASN A 76 4.046 10.999 -8.305 1.00 0.00 H new ATOM 1112 N LYS A 77 5.127 8.947 -4.336 1.00 0.00 N ATOM 1113 CA LYS A 77 3.937 9.001 -3.493 1.00 0.00 C ATOM 1114 C LYS A 77 4.254 8.551 -2.069 1.00 0.00 C ATOM 1115 O LYS A 77 4.150 7.366 -1.748 1.00 0.00 O ATOM 1116 CB LYS A 77 2.831 8.121 -4.080 1.00 0.00 C ATOM 1117 CG LYS A 77 2.291 8.625 -5.409 1.00 0.00 C ATOM 1118 CD LYS A 77 1.101 7.800 -5.873 1.00 0.00 C ATOM 1119 CE LYS A 77 0.438 8.419 -7.094 1.00 0.00 C ATOM 1120 NZ LYS A 77 -0.896 7.816 -7.366 1.00 0.00 N ATOM 0 H LYS A 77 5.861 8.328 -3.991 1.00 0.00 H new ATOM 0 HA LYS A 77 3.594 10.035 -3.461 1.00 0.00 H new ATOM 0 HB2 LYS A 77 3.216 7.110 -4.214 1.00 0.00 H new ATOM 0 HB3 LYS A 77 2.011 8.058 -3.365 1.00 0.00 H new ATOM 0 HG2 LYS A 77 1.995 9.670 -5.311 1.00 0.00 H new ATOM 0 HG3 LYS A 77 3.078 8.586 -6.162 1.00 0.00 H new ATOM 0 HD2 LYS A 77 1.428 6.787 -6.109 1.00 0.00 H new ATOM 0 HD3 LYS A 77 0.375 7.720 -5.064 1.00 0.00 H new ATOM 0 HE2 LYS A 77 0.327 9.493 -6.942 1.00 0.00 H new ATOM 0 HE3 LYS A 77 1.081 8.285 -7.964 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -1.459 8.468 -7.949 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -0.773 6.916 -7.872 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -1.389 7.643 -6.467 1.00 0.00 H new ATOM 1134 N PRO A 78 4.648 9.490 -1.192 1.00 0.00 N ATOM 1135 CA PRO A 78 4.980 9.179 0.203 1.00 0.00 C ATOM 1136 C PRO A 78 3.781 8.641 0.977 1.00 0.00 C ATOM 1137 O PRO A 78 2.658 9.115 0.810 1.00 0.00 O ATOM 1138 CB PRO A 78 5.430 10.524 0.782 1.00 0.00 C ATOM 1139 CG PRO A 78 4.839 11.551 -0.122 1.00 0.00 C ATOM 1140 CD PRO A 78 4.798 10.926 -1.486 1.00 0.00 C ATOM 0 HA PRO A 78 5.739 8.400 0.272 1.00 0.00 H new ATOM 0 HB2 PRO A 78 5.078 10.650 1.806 1.00 0.00 H new ATOM 0 HB3 PRO A 78 6.517 10.599 0.807 1.00 0.00 H new ATOM 0 HG2 PRO A 78 3.839 11.833 0.208 1.00 0.00 H new ATOM 0 HG3 PRO A 78 5.441 12.460 -0.127 1.00 0.00 H new ATOM 0 HD2 PRO A 78 3.965 11.305 -2.078 1.00 0.00 H new ATOM 0 HD3 PRO A 78 5.708 11.129 -2.050 1.00 0.00 H new ATOM 1148 N GLY A 79 4.029 7.648 1.825 1.00 0.00 N ATOM 1149 CA GLY A 79 2.962 7.062 2.615 1.00 0.00 C ATOM 1150 C GLY A 79 3.486 6.235 3.773 1.00 0.00 C ATOM 1151 O GLY A 79 4.630 6.400 4.193 1.00 0.00 O ATOM 0 H GLY A 79 4.950 7.239 1.979 1.00 0.00 H new ATOM 0 HA2 GLY A 79 2.321 7.855 3.000 1.00 0.00 H new ATOM 0 HA3 GLY A 79 2.343 6.434 1.975 1.00 0.00 H new ATOM 1155 N PHE A 80 2.646 5.345 4.290 1.00 0.00 N ATOM 1156 CA PHE A 80 3.031 4.491 5.407 1.00 0.00 C ATOM 1157 C PHE A 80 2.562 3.056 5.182 1.00 0.00 C ATOM 1158 O PHE A 80 1.374 2.805 4.981 1.00 0.00 O ATOM 1159 CB PHE A 80 2.448 5.031 6.714 1.00 0.00 C ATOM 1160 CG PHE A 80 3.060 6.332 7.151 1.00 0.00 C ATOM 1161 CD1 PHE A 80 4.266 6.351 7.832 1.00 0.00 C ATOM 1162 CD2 PHE A 80 2.428 7.535 6.880 1.00 0.00 C ATOM 1163 CE1 PHE A 80 4.832 7.546 8.234 1.00 0.00 C ATOM 1164 CE2 PHE A 80 2.988 8.734 7.281 1.00 0.00 C ATOM 1165 CZ PHE A 80 4.192 8.738 7.959 1.00 0.00 C ATOM 0 H PHE A 80 1.695 5.196 3.953 1.00 0.00 H new ATOM 0 HA PHE A 80 4.119 4.492 5.475 1.00 0.00 H new ATOM 0 HB2 PHE A 80 1.373 5.166 6.595 1.00 0.00 H new ATOM 0 HB3 PHE A 80 2.591 4.289 7.500 1.00 0.00 H new ATOM 0 HD1 PHE A 80 4.770 5.421 8.051 1.00 0.00 H new ATOM 0 HD2 PHE A 80 1.487 7.536 6.350 1.00 0.00 H new ATOM 0 HE1 PHE A 80 5.774 7.547 8.763 1.00 0.00 H new ATOM 0 HE2 PHE A 80 2.486 9.665 7.065 1.00 0.00 H new ATOM 0 HZ PHE A 80 4.632 9.673 8.274 1.00 0.00 H new ATOM 1175 N ILE A 81 3.504 2.119 5.217 1.00 0.00 N ATOM 1176 CA ILE A 81 3.188 0.710 5.016 1.00 0.00 C ATOM 1177 C ILE A 81 2.461 0.132 6.226 1.00 0.00 C ATOM 1178 O ILE A 81 2.922 0.260 7.360 1.00 0.00 O ATOM 1179 CB ILE A 81 4.460 -0.118 4.752 1.00 0.00 C ATOM 1180 CG1 ILE A 81 5.303 0.536 3.656 1.00 0.00 C ATOM 1181 CG2 ILE A 81 4.095 -1.545 4.367 1.00 0.00 C ATOM 1182 CD1 ILE A 81 6.598 -0.195 3.372 1.00 0.00 C ATOM 0 H ILE A 81 4.492 2.310 5.383 1.00 0.00 H new ATOM 0 HA ILE A 81 2.538 0.652 4.143 1.00 0.00 H new ATOM 0 HB ILE A 81 5.050 -0.150 5.668 1.00 0.00 H new ATOM 0 HG12 ILE A 81 4.716 0.588 2.739 1.00 0.00 H new ATOM 0 HG13 ILE A 81 5.530 1.562 3.947 1.00 0.00 H new ATOM 0 HG21 ILE A 81 5.005 -2.117 4.184 1.00 0.00 H new ATOM 0 HG22 ILE A 81 3.533 -2.008 5.178 1.00 0.00 H new ATOM 0 HG23 ILE A 81 3.486 -1.534 3.463 1.00 0.00 H new ATOM 0 HD11 ILE A 81 7.144 0.325 2.585 1.00 0.00 H new ATOM 0 HD12 ILE A 81 7.205 -0.224 4.277 1.00 0.00 H new ATOM 0 HD13 ILE A 81 6.378 -1.213 3.050 1.00 0.00 H new ATOM 1194 N GLN A 82 1.320 -0.504 5.976 1.00 0.00 N ATOM 1195 CA GLN A 82 0.529 -1.102 7.044 1.00 0.00 C ATOM 1196 C GLN A 82 0.444 -2.617 6.876 1.00 0.00 C ATOM 1197 O GLN A 82 0.507 -3.364 7.852 1.00 0.00 O ATOM 1198 CB GLN A 82 -0.878 -0.501 7.064 1.00 0.00 C ATOM 1199 CG GLN A 82 -0.890 1.019 7.079 1.00 0.00 C ATOM 1200 CD GLN A 82 -0.534 1.590 8.437 1.00 0.00 C ATOM 1201 OE1 GLN A 82 -1.390 1.724 9.312 1.00 0.00 O ATOM 1202 NE2 GLN A 82 0.736 1.934 8.620 1.00 0.00 N ATOM 0 H GLN A 82 0.924 -0.618 5.043 1.00 0.00 H new ATOM 0 HA GLN A 82 1.023 -0.886 7.991 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -1.426 -0.852 6.190 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -1.409 -0.869 7.942 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -0.185 1.392 6.336 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -1.878 1.374 6.787 1.00 0.00 H new ATOM 0 HE21 GLN A 82 1.413 1.806 7.868 1.00 0.00 H new ATOM 0 HE22 GLN A 82 1.035 2.326 9.513 1.00 0.00 H new ATOM 1211 N PHE A 83 0.299 -3.061 5.632 1.00 0.00 N ATOM 1212 CA PHE A 83 0.204 -4.486 5.334 1.00 0.00 C ATOM 1213 C PHE A 83 1.416 -4.959 4.540 1.00 0.00 C ATOM 1214 O PHE A 83 1.961 -4.222 3.719 1.00 0.00 O ATOM 1215 CB PHE A 83 -1.079 -4.780 4.553 1.00 0.00 C ATOM 1216 CG PHE A 83 -1.376 -6.245 4.416 1.00 0.00 C ATOM 1217 CD1 PHE A 83 -0.781 -6.995 3.414 1.00 0.00 C ATOM 1218 CD2 PHE A 83 -2.250 -6.873 5.289 1.00 0.00 C ATOM 1219 CE1 PHE A 83 -1.053 -8.344 3.285 1.00 0.00 C ATOM 1220 CE2 PHE A 83 -2.527 -8.221 5.165 1.00 0.00 C ATOM 1221 CZ PHE A 83 -1.927 -8.958 4.161 1.00 0.00 C ATOM 0 H PHE A 83 0.245 -2.455 4.814 1.00 0.00 H new ATOM 0 HA PHE A 83 0.179 -5.028 6.279 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -1.917 -4.293 5.051 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -0.999 -4.339 3.559 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -0.097 -6.520 2.726 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -2.720 -6.302 6.076 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -0.583 -8.918 2.500 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -3.211 -8.698 5.851 1.00 0.00 H new ATOM 0 HZ PHE A 83 -2.141 -10.012 4.062 1.00 0.00 H new ATOM 1231 N LEU A 84 1.835 -6.196 4.791 1.00 0.00 N ATOM 1232 CA LEU A 84 2.983 -6.770 4.099 1.00 0.00 C ATOM 1233 C LEU A 84 2.857 -8.287 4.001 1.00 0.00 C ATOM 1234 O LEU A 84 3.085 -9.003 4.975 1.00 0.00 O ATOM 1235 CB LEU A 84 4.279 -6.397 4.823 1.00 0.00 C ATOM 1236 CG LEU A 84 4.973 -5.137 4.301 1.00 0.00 C ATOM 1237 CD1 LEU A 84 5.976 -4.619 5.320 1.00 0.00 C ATOM 1238 CD2 LEU A 84 5.657 -5.418 2.972 1.00 0.00 C ATOM 0 H LEU A 84 1.396 -6.820 5.469 1.00 0.00 H new ATOM 0 HA LEU A 84 3.010 -6.362 3.089 1.00 0.00 H new ATOM 0 HB2 LEU A 84 4.059 -6.260 5.882 1.00 0.00 H new ATOM 0 HB3 LEU A 84 4.973 -7.234 4.747 1.00 0.00 H new ATOM 0 HG LEU A 84 4.217 -4.368 4.143 1.00 0.00 H new ATOM 0 HD11 LEU A 84 6.460 -3.723 4.931 1.00 0.00 H new ATOM 0 HD12 LEU A 84 5.459 -4.379 6.249 1.00 0.00 H new ATOM 0 HD13 LEU A 84 6.729 -5.384 5.511 1.00 0.00 H new ATOM 0 HD21 LEU A 84 6.145 -4.511 2.615 1.00 0.00 H new ATOM 0 HD22 LEU A 84 6.402 -6.203 3.105 1.00 0.00 H new ATOM 0 HD23 LEU A 84 4.915 -5.742 2.242 1.00 0.00 H new ATOM 1250 N GLY A 85 2.493 -8.770 2.817 1.00 0.00 N ATOM 1251 CA GLY A 85 2.344 -10.199 2.613 1.00 0.00 C ATOM 1252 C GLY A 85 1.498 -10.526 1.398 1.00 0.00 C ATOM 1253 O GLY A 85 1.684 -9.943 0.330 1.00 0.00 O ATOM 0 H GLY A 85 2.299 -8.197 1.996 1.00 0.00 H new ATOM 0 HA2 GLY A 85 3.329 -10.651 2.498 1.00 0.00 H new ATOM 0 HA3 GLY A 85 1.890 -10.644 3.498 1.00 0.00 H new ATOM 1257 N GLU A 86 0.568 -11.461 1.561 1.00 0.00 N ATOM 1258 CA GLU A 86 -0.309 -11.867 0.469 1.00 0.00 C ATOM 1259 C GLU A 86 -1.749 -11.449 0.743 1.00 0.00 C ATOM 1260 O GLU A 86 -2.117 -11.165 1.884 1.00 0.00 O ATOM 1261 CB GLU A 86 -0.237 -13.382 0.263 1.00 0.00 C ATOM 1262 CG GLU A 86 0.937 -13.823 -0.595 1.00 0.00 C ATOM 1263 CD GLU A 86 0.618 -15.047 -1.432 1.00 0.00 C ATOM 1264 OE1 GLU A 86 0.123 -14.877 -2.566 1.00 0.00 O ATOM 1265 OE2 GLU A 86 0.864 -16.174 -0.955 1.00 0.00 O ATOM 0 H GLU A 86 0.402 -11.952 2.439 1.00 0.00 H new ATOM 0 HA GLU A 86 0.030 -11.367 -0.439 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -0.169 -13.870 1.235 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -1.163 -13.722 -0.200 1.00 0.00 H new ATOM 0 HG2 GLU A 86 1.230 -13.004 -1.252 1.00 0.00 H new ATOM 0 HG3 GLU A 86 1.791 -14.038 0.047 1.00 0.00 H new ATOM 1272 N THR A 87 -2.562 -11.413 -0.308 1.00 0.00 N ATOM 1273 CA THR A 87 -3.963 -11.030 -0.180 1.00 0.00 C ATOM 1274 C THR A 87 -4.881 -12.201 -0.519 1.00 0.00 C ATOM 1275 O THR A 87 -4.414 -13.301 -0.812 1.00 0.00 O ATOM 1276 CB THR A 87 -4.275 -9.843 -1.092 1.00 0.00 C ATOM 1277 OG1 THR A 87 -3.587 -9.962 -2.325 1.00 0.00 O ATOM 1278 CG2 THR A 87 -3.902 -8.507 -0.487 1.00 0.00 C ATOM 0 H THR A 87 -2.274 -11.645 -1.259 1.00 0.00 H new ATOM 0 HA THR A 87 -4.140 -10.740 0.856 1.00 0.00 H new ATOM 0 HB THR A 87 -5.355 -9.869 -1.237 1.00 0.00 H new ATOM 0 HG1 THR A 87 -3.930 -10.737 -2.818 1.00 0.00 H new ATOM 0 HG21 THR A 87 -4.150 -7.709 -1.187 1.00 0.00 H new ATOM 0 HG22 THR A 87 -4.455 -8.361 0.441 1.00 0.00 H new ATOM 0 HG23 THR A 87 -2.832 -8.488 -0.279 1.00 0.00 H new ATOM 1286 N GLN A 88 -6.185 -11.955 -0.475 1.00 0.00 N ATOM 1287 CA GLN A 88 -7.168 -12.990 -0.776 1.00 0.00 C ATOM 1288 C GLN A 88 -7.878 -12.701 -2.095 1.00 0.00 C ATOM 1289 O GLN A 88 -8.295 -13.619 -2.801 1.00 0.00 O ATOM 1290 CB GLN A 88 -8.193 -13.096 0.354 1.00 0.00 C ATOM 1291 CG GLN A 88 -7.594 -13.545 1.677 1.00 0.00 C ATOM 1292 CD GLN A 88 -7.603 -12.451 2.726 1.00 0.00 C ATOM 1293 OE1 GLN A 88 -7.034 -11.377 2.525 1.00 0.00 O ATOM 1294 NE2 GLN A 88 -8.251 -12.717 3.855 1.00 0.00 N ATOM 0 H GLN A 88 -6.586 -11.049 -0.234 1.00 0.00 H new ATOM 0 HA GLN A 88 -6.640 -13.939 -0.868 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -8.672 -12.126 0.492 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -8.974 -13.798 0.061 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -8.151 -14.405 2.050 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -6.569 -13.876 1.513 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -8.709 -13.620 3.980 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -8.291 -12.018 4.597 1.00 0.00 H new ATOM 1303 N PHE A 89 -8.015 -11.419 -2.422 1.00 0.00 N ATOM 1304 CA PHE A 89 -8.676 -11.012 -3.656 1.00 0.00 C ATOM 1305 C PHE A 89 -7.801 -11.309 -4.870 1.00 0.00 C ATOM 1306 O PHE A 89 -8.306 -11.623 -5.948 1.00 0.00 O ATOM 1307 CB PHE A 89 -9.015 -9.521 -3.609 1.00 0.00 C ATOM 1308 CG PHE A 89 -7.810 -8.635 -3.464 1.00 0.00 C ATOM 1309 CD1 PHE A 89 -6.991 -8.374 -4.552 1.00 0.00 C ATOM 1310 CD2 PHE A 89 -7.497 -8.065 -2.241 1.00 0.00 C ATOM 1311 CE1 PHE A 89 -5.883 -7.560 -4.422 1.00 0.00 C ATOM 1312 CE2 PHE A 89 -6.389 -7.249 -2.105 1.00 0.00 C ATOM 1313 CZ PHE A 89 -5.580 -6.997 -3.196 1.00 0.00 C ATOM 0 H PHE A 89 -7.677 -10.645 -1.849 1.00 0.00 H new ATOM 0 HA PHE A 89 -9.598 -11.585 -3.749 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -9.548 -9.249 -4.520 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -9.693 -9.337 -2.776 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -7.222 -8.812 -5.512 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -8.125 -8.260 -1.384 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -5.254 -7.363 -5.277 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -6.156 -6.809 -1.147 1.00 0.00 H new ATOM 0 HZ PHE A 89 -4.713 -6.362 -3.092 1.00 0.00 H new ATOM 1323 N ALA A 90 -6.489 -11.208 -4.687 1.00 0.00 N ATOM 1324 CA ALA A 90 -5.546 -11.466 -5.770 1.00 0.00 C ATOM 1325 C ALA A 90 -4.224 -12.014 -5.230 1.00 0.00 C ATOM 1326 O ALA A 90 -3.611 -11.413 -4.349 1.00 0.00 O ATOM 1327 CB ALA A 90 -5.302 -10.196 -6.569 1.00 0.00 C ATOM 0 H ALA A 90 -6.055 -10.950 -3.801 1.00 0.00 H new ATOM 0 HA ALA A 90 -5.982 -12.219 -6.426 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -4.597 -10.402 -7.374 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -6.243 -9.846 -6.992 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -4.891 -9.428 -5.914 1.00 0.00 H new ATOM 1333 N PRO A 91 -3.764 -13.168 -5.752 1.00 0.00 N ATOM 1334 CA PRO A 91 -2.507 -13.785 -5.312 1.00 0.00 C ATOM 1335 C PRO A 91 -1.325 -12.829 -5.421 1.00 0.00 C ATOM 1336 O PRO A 91 -1.499 -11.631 -5.638 1.00 0.00 O ATOM 1337 CB PRO A 91 -2.329 -14.965 -6.271 1.00 0.00 C ATOM 1338 CG PRO A 91 -3.702 -15.273 -6.758 1.00 0.00 C ATOM 1339 CD PRO A 91 -4.426 -13.959 -6.806 1.00 0.00 C ATOM 0 HA PRO A 91 -2.544 -14.076 -4.262 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -1.666 -14.707 -7.096 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -1.888 -15.823 -5.764 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -3.672 -15.738 -7.743 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -4.206 -15.972 -6.090 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -4.334 -13.484 -7.783 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -5.491 -14.079 -6.609 1.00 0.00 H new ATOM 1347 N GLY A 92 -0.119 -13.369 -5.270 1.00 0.00 N ATOM 1348 CA GLY A 92 1.076 -12.551 -5.356 1.00 0.00 C ATOM 1349 C GLY A 92 1.339 -11.771 -4.083 1.00 0.00 C ATOM 1350 O GLY A 92 0.569 -11.852 -3.127 1.00 0.00 O ATOM 0 H GLY A 92 0.051 -14.358 -5.090 1.00 0.00 H new ATOM 0 HA2 GLY A 92 1.934 -13.188 -5.571 1.00 0.00 H new ATOM 0 HA3 GLY A 92 0.977 -11.856 -6.190 1.00 0.00 H new ATOM 1354 N GLN A 93 2.431 -11.014 -4.071 1.00 0.00 N ATOM 1355 CA GLN A 93 2.795 -10.216 -2.906 1.00 0.00 C ATOM 1356 C GLN A 93 2.289 -8.783 -3.050 1.00 0.00 C ATOM 1357 O GLN A 93 2.415 -8.174 -4.112 1.00 0.00 O ATOM 1358 CB GLN A 93 4.314 -10.220 -2.712 1.00 0.00 C ATOM 1359 CG GLN A 93 4.760 -10.909 -1.433 1.00 0.00 C ATOM 1360 CD GLN A 93 4.615 -10.022 -0.212 1.00 0.00 C ATOM 1361 OE1 GLN A 93 3.919 -9.007 -0.247 1.00 0.00 O ATOM 1362 NE2 GLN A 93 5.271 -10.403 0.877 1.00 0.00 N ATOM 0 H GLN A 93 3.079 -10.936 -4.855 1.00 0.00 H new ATOM 0 HA GLN A 93 2.325 -10.661 -2.029 1.00 0.00 H new ATOM 0 HB2 GLN A 93 4.780 -10.716 -3.564 1.00 0.00 H new ATOM 0 HB3 GLN A 93 4.674 -9.191 -2.706 1.00 0.00 H new ATOM 0 HG2 GLN A 93 4.173 -11.817 -1.290 1.00 0.00 H new ATOM 0 HG3 GLN A 93 5.801 -11.215 -1.534 1.00 0.00 H new ATOM 0 HE21 GLN A 93 5.836 -11.252 0.861 1.00 0.00 H new ATOM 0 HE22 GLN A 93 5.210 -9.847 1.730 1.00 0.00 H new ATOM 1371 N TRP A 94 1.715 -8.252 -1.975 1.00 0.00 N ATOM 1372 CA TRP A 94 1.190 -6.892 -1.982 1.00 0.00 C ATOM 1373 C TRP A 94 1.643 -6.127 -0.743 1.00 0.00 C ATOM 1374 O TRP A 94 2.062 -6.724 0.249 1.00 0.00 O ATOM 1375 CB TRP A 94 -0.337 -6.913 -2.054 1.00 0.00 C ATOM 1376 CG TRP A 94 -0.864 -7.527 -3.315 1.00 0.00 C ATOM 1377 CD1 TRP A 94 -1.102 -8.852 -3.546 1.00 0.00 C ATOM 1378 CD2 TRP A 94 -1.217 -6.840 -4.521 1.00 0.00 C ATOM 1379 NE1 TRP A 94 -1.582 -9.030 -4.820 1.00 0.00 N ATOM 1380 CE2 TRP A 94 -1.662 -7.810 -5.440 1.00 0.00 C ATOM 1381 CE3 TRP A 94 -1.202 -5.498 -4.913 1.00 0.00 C ATOM 1382 CZ2 TRP A 94 -2.086 -7.480 -6.724 1.00 0.00 C ATOM 1383 CZ3 TRP A 94 -1.623 -5.173 -6.189 1.00 0.00 C ATOM 1384 CH2 TRP A 94 -2.060 -6.159 -7.081 1.00 0.00 C ATOM 0 H TRP A 94 1.602 -8.743 -1.088 1.00 0.00 H new ATOM 0 HA TRP A 94 1.581 -6.383 -2.863 1.00 0.00 H new ATOM 0 HB2 TRP A 94 -0.726 -7.466 -1.199 1.00 0.00 H new ATOM 0 HB3 TRP A 94 -0.711 -5.893 -1.971 1.00 0.00 H new ATOM 0 HD1 TRP A 94 -0.937 -9.644 -2.831 1.00 0.00 H new ATOM 0 HE1 TRP A 94 -1.838 -9.925 -5.237 1.00 0.00 H new ATOM 0 HE3 TRP A 94 -0.868 -4.730 -4.232 1.00 0.00 H new ATOM 0 HZ2 TRP A 94 -2.423 -8.239 -7.414 1.00 0.00 H new ATOM 0 HZ3 TRP A 94 -1.615 -4.140 -6.503 1.00 0.00 H new ATOM 0 HH2 TRP A 94 -2.383 -5.872 -8.071 1.00 0.00 H new ATOM 1395 N ALA A 95 1.554 -4.803 -0.806 1.00 0.00 N ATOM 1396 CA ALA A 95 1.953 -3.956 0.311 1.00 0.00 C ATOM 1397 C ALA A 95 1.075 -2.712 0.399 1.00 0.00 C ATOM 1398 O ALA A 95 1.159 -1.820 -0.446 1.00 0.00 O ATOM 1399 CB ALA A 95 3.416 -3.562 0.177 1.00 0.00 C ATOM 0 H ALA A 95 1.209 -4.293 -1.619 1.00 0.00 H new ATOM 0 HA ALA A 95 1.823 -4.526 1.231 1.00 0.00 H new ATOM 0 HB1 ALA A 95 3.701 -2.929 1.018 1.00 0.00 H new ATOM 0 HB2 ALA A 95 4.035 -4.459 0.171 1.00 0.00 H new ATOM 0 HB3 ALA A 95 3.562 -3.015 -0.754 1.00 0.00 H new ATOM 1405 N GLY A 96 0.233 -2.659 1.426 1.00 0.00 N ATOM 1406 CA GLY A 96 -0.649 -1.521 1.605 1.00 0.00 C ATOM 1407 C GLY A 96 0.062 -0.326 2.208 1.00 0.00 C ATOM 1408 O GLY A 96 0.697 -0.438 3.257 1.00 0.00 O ATOM 0 H GLY A 96 0.146 -3.384 2.138 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -1.074 -1.239 0.641 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -1.481 -1.808 2.248 1.00 0.00 H new ATOM 1412 N ILE A 97 -0.044 0.821 1.544 1.00 0.00 N ATOM 1413 CA ILE A 97 0.594 2.042 2.021 1.00 0.00 C ATOM 1414 C ILE A 97 -0.419 3.173 2.163 1.00 0.00 C ATOM 1415 O ILE A 97 -1.298 3.342 1.318 1.00 0.00 O ATOM 1416 CB ILE A 97 1.722 2.495 1.074 1.00 0.00 C ATOM 1417 CG1 ILE A 97 2.664 1.326 0.768 1.00 0.00 C ATOM 1418 CG2 ILE A 97 2.490 3.659 1.682 1.00 0.00 C ATOM 1419 CD1 ILE A 97 2.626 0.883 -0.679 1.00 0.00 C ATOM 0 H ILE A 97 -0.566 0.930 0.674 1.00 0.00 H new ATOM 0 HA ILE A 97 1.020 1.814 2.998 1.00 0.00 H new ATOM 0 HB ILE A 97 1.276 2.831 0.138 1.00 0.00 H new ATOM 0 HG12 ILE A 97 3.683 1.614 1.025 1.00 0.00 H new ATOM 0 HG13 ILE A 97 2.401 0.482 1.405 1.00 0.00 H new ATOM 0 HG21 ILE A 97 3.283 3.967 1.001 1.00 0.00 H new ATOM 0 HG22 ILE A 97 1.811 4.495 1.850 1.00 0.00 H new ATOM 0 HG23 ILE A 97 2.927 3.350 2.632 1.00 0.00 H new ATOM 0 HD11 ILE A 97 3.317 0.052 -0.824 1.00 0.00 H new ATOM 0 HD12 ILE A 97 1.616 0.564 -0.935 1.00 0.00 H new ATOM 0 HD13 ILE A 97 2.918 1.714 -1.322 1.00 0.00 H new ATOM 1431 N VAL A 98 -0.292 3.943 3.240 1.00 0.00 N ATOM 1432 CA VAL A 98 -1.197 5.058 3.493 1.00 0.00 C ATOM 1433 C VAL A 98 -0.565 6.384 3.082 1.00 0.00 C ATOM 1434 O VAL A 98 0.373 6.860 3.721 1.00 0.00 O ATOM 1435 CB VAL A 98 -1.596 5.132 4.978 1.00 0.00 C ATOM 1436 CG1 VAL A 98 -2.689 6.168 5.188 1.00 0.00 C ATOM 1437 CG2 VAL A 98 -2.041 3.766 5.480 1.00 0.00 C ATOM 0 H VAL A 98 0.428 3.815 3.951 1.00 0.00 H new ATOM 0 HA VAL A 98 -2.090 4.882 2.893 1.00 0.00 H new ATOM 0 HB VAL A 98 -0.723 5.439 5.554 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -2.957 6.205 6.244 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -2.329 7.146 4.870 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -3.566 5.896 4.600 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -2.319 3.838 6.531 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -2.899 3.427 4.900 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -1.224 3.053 5.369 1.00 0.00 H new ATOM 1447 N LEU A 99 -1.086 6.975 2.012 1.00 0.00 N ATOM 1448 CA LEU A 99 -0.572 8.246 1.516 1.00 0.00 C ATOM 1449 C LEU A 99 -1.062 9.404 2.380 1.00 0.00 C ATOM 1450 O LEU A 99 -1.816 9.205 3.333 1.00 0.00 O ATOM 1451 CB LEU A 99 -1.001 8.462 0.063 1.00 0.00 C ATOM 1452 CG LEU A 99 -0.774 7.265 -0.864 1.00 0.00 C ATOM 1453 CD1 LEU A 99 -1.260 7.581 -2.270 1.00 0.00 C ATOM 1454 CD2 LEU A 99 0.697 6.878 -0.879 1.00 0.00 C ATOM 0 H LEU A 99 -1.863 6.594 1.472 1.00 0.00 H new ATOM 0 HA LEU A 99 0.516 8.214 1.565 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -2.060 8.719 0.047 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -0.459 9.319 -0.336 1.00 0.00 H new ATOM 0 HG LEU A 99 -1.348 6.419 -0.486 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -1.091 6.719 -2.916 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -2.325 7.811 -2.244 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -0.713 8.439 -2.660 1.00 0.00 H new ATOM 0 HD21 LEU A 99 0.842 6.026 -1.543 1.00 0.00 H new ATOM 0 HD22 LEU A 99 1.291 7.720 -1.235 1.00 0.00 H new ATOM 0 HD23 LEU A 99 1.013 6.611 0.129 1.00 0.00 H new ATOM 1466 N ASP A 100 -0.629 10.614 2.041 1.00 0.00 N ATOM 1467 CA ASP A 100 -1.025 11.804 2.787 1.00 0.00 C ATOM 1468 C ASP A 100 -1.827 12.761 1.907 1.00 0.00 C ATOM 1469 O ASP A 100 -1.887 13.961 2.176 1.00 0.00 O ATOM 1470 CB ASP A 100 0.209 12.517 3.341 1.00 0.00 C ATOM 1471 CG ASP A 100 1.171 12.942 2.249 1.00 0.00 C ATOM 1472 OD1 ASP A 100 0.725 13.612 1.292 1.00 0.00 O ATOM 1473 OD2 ASP A 100 2.369 12.606 2.348 1.00 0.00 O ATOM 0 H ASP A 100 -0.005 10.797 1.255 1.00 0.00 H new ATOM 0 HA ASP A 100 -1.658 11.487 3.616 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -0.105 13.394 3.906 1.00 0.00 H new ATOM 0 HB3 ASP A 100 0.724 11.856 4.038 1.00 0.00 H new ATOM 1478 N GLU A 101 -2.443 12.223 0.859 1.00 0.00 N ATOM 1479 CA GLU A 101 -3.240 13.030 -0.057 1.00 0.00 C ATOM 1480 C GLU A 101 -4.352 12.197 -0.689 1.00 0.00 C ATOM 1481 O GLU A 101 -4.242 10.975 -0.789 1.00 0.00 O ATOM 1482 CB GLU A 101 -2.352 13.627 -1.149 1.00 0.00 C ATOM 1483 CG GLU A 101 -1.739 14.964 -0.772 1.00 0.00 C ATOM 1484 CD GLU A 101 -2.749 16.095 -0.791 1.00 0.00 C ATOM 1485 OE1 GLU A 101 -3.453 16.280 0.225 1.00 0.00 O ATOM 1486 OE2 GLU A 101 -2.837 16.796 -1.821 1.00 0.00 O ATOM 0 H GLU A 101 -2.405 11.231 0.623 1.00 0.00 H new ATOM 0 HA GLU A 101 -3.695 13.839 0.514 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -1.553 12.923 -1.381 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -2.941 13.750 -2.058 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -1.300 14.891 0.223 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -0.928 15.195 -1.462 1.00 0.00 H new ATOM 1493 N PRO A 102 -5.443 12.850 -1.126 1.00 0.00 N ATOM 1494 CA PRO A 102 -6.576 12.163 -1.751 1.00 0.00 C ATOM 1495 C PRO A 102 -6.280 11.740 -3.188 1.00 0.00 C ATOM 1496 O PRO A 102 -6.985 12.131 -4.119 1.00 0.00 O ATOM 1497 CB PRO A 102 -7.681 13.219 -1.719 1.00 0.00 C ATOM 1498 CG PRO A 102 -6.956 14.520 -1.776 1.00 0.00 C ATOM 1499 CD PRO A 102 -5.656 14.308 -1.045 1.00 0.00 C ATOM 0 HA PRO A 102 -6.832 11.238 -1.234 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -8.362 13.107 -2.563 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -8.281 13.138 -0.813 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -6.778 14.822 -2.808 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -7.541 15.312 -1.309 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -4.839 14.859 -1.512 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -5.718 14.647 -0.011 1.00 0.00 H new ATOM 1507 N ILE A 103 -5.233 10.940 -3.359 1.00 0.00 N ATOM 1508 CA ILE A 103 -4.842 10.464 -4.682 1.00 0.00 C ATOM 1509 C ILE A 103 -4.987 8.948 -4.794 1.00 0.00 C ATOM 1510 O ILE A 103 -5.116 8.408 -5.893 1.00 0.00 O ATOM 1511 CB ILE A 103 -3.389 10.854 -5.012 1.00 0.00 C ATOM 1512 CG1 ILE A 103 -2.462 10.478 -3.856 1.00 0.00 C ATOM 1513 CG2 ILE A 103 -3.295 12.342 -5.313 1.00 0.00 C ATOM 1514 CD1 ILE A 103 -1.081 10.054 -4.303 1.00 0.00 C ATOM 0 H ILE A 103 -4.640 10.607 -2.599 1.00 0.00 H new ATOM 0 HA ILE A 103 -5.512 10.941 -5.397 1.00 0.00 H new ATOM 0 HB ILE A 103 -3.073 10.304 -5.899 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -2.371 11.330 -3.182 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -2.916 9.667 -3.286 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -2.262 12.602 -5.544 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -3.929 12.581 -6.167 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -3.626 12.911 -4.444 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -0.478 9.802 -3.431 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -1.161 9.183 -4.953 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -0.608 10.871 -4.847 1.00 0.00 H new ATOM 1526 N GLY A 104 -4.961 8.265 -3.652 1.00 0.00 N ATOM 1527 CA GLY A 104 -5.088 6.818 -3.649 1.00 0.00 C ATOM 1528 C GLY A 104 -6.355 6.344 -4.335 1.00 0.00 C ATOM 1529 O GLY A 104 -7.042 7.123 -4.994 1.00 0.00 O ATOM 0 H GLY A 104 -4.854 8.688 -2.730 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -4.223 6.380 -4.147 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -5.079 6.458 -2.620 1.00 0.00 H new ATOM 1533 N LYS A 105 -6.663 5.061 -4.178 1.00 0.00 N ATOM 1534 CA LYS A 105 -7.855 4.482 -4.789 1.00 0.00 C ATOM 1535 C LYS A 105 -8.638 3.650 -3.778 1.00 0.00 C ATOM 1536 O LYS A 105 -9.860 3.762 -3.681 1.00 0.00 O ATOM 1537 CB LYS A 105 -7.468 3.614 -5.987 1.00 0.00 C ATOM 1538 CG LYS A 105 -7.174 4.414 -7.248 1.00 0.00 C ATOM 1539 CD LYS A 105 -5.829 4.037 -7.849 1.00 0.00 C ATOM 1540 CE LYS A 105 -5.105 5.255 -8.399 1.00 0.00 C ATOM 1541 NZ LYS A 105 -3.722 4.925 -8.843 1.00 0.00 N ATOM 0 H LYS A 105 -6.105 4.403 -3.634 1.00 0.00 H new ATOM 0 HA LYS A 105 -8.491 5.300 -5.129 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -6.589 3.023 -5.728 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -8.276 2.911 -6.192 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -7.962 4.241 -7.981 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -7.183 5.479 -7.015 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -5.211 3.557 -7.090 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -5.977 3.309 -8.647 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -5.668 5.664 -9.238 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -5.065 6.030 -7.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -3.262 5.782 -9.211 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -3.177 4.559 -8.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -3.760 4.204 -9.591 1.00 0.00 H new ATOM 1555 N ASN A 106 -7.927 2.812 -3.030 1.00 0.00 N ATOM 1556 CA ASN A 106 -8.557 1.959 -2.029 1.00 0.00 C ATOM 1557 C ASN A 106 -8.416 2.559 -0.633 1.00 0.00 C ATOM 1558 O ASN A 106 -7.750 3.577 -0.447 1.00 0.00 O ATOM 1559 CB ASN A 106 -7.939 0.560 -2.061 1.00 0.00 C ATOM 1560 CG ASN A 106 -8.313 -0.209 -3.313 1.00 0.00 C ATOM 1561 OD1 ASN A 106 -9.492 -0.384 -3.618 1.00 0.00 O ATOM 1562 ND2 ASN A 106 -7.306 -0.674 -4.045 1.00 0.00 N ATOM 0 H ASN A 106 -6.915 2.706 -3.098 1.00 0.00 H new ATOM 0 HA ASN A 106 -9.618 1.886 -2.266 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -6.854 0.644 -2.000 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -8.265 0.001 -1.184 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -7.496 -1.200 -4.898 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -6.343 -0.505 -3.754 1.00 0.00 H new ATOM 1569 N ASP A 107 -9.050 1.918 0.345 1.00 0.00 N ATOM 1570 CA ASP A 107 -8.997 2.388 1.725 1.00 0.00 C ATOM 1571 C ASP A 107 -8.592 1.259 2.668 1.00 0.00 C ATOM 1572 O ASP A 107 -9.007 1.228 3.827 1.00 0.00 O ATOM 1573 CB ASP A 107 -10.354 2.957 2.144 1.00 0.00 C ATOM 1574 CG ASP A 107 -11.503 2.035 1.788 1.00 0.00 C ATOM 1575 OD1 ASP A 107 -11.706 1.033 2.507 1.00 0.00 O ATOM 1576 OD2 ASP A 107 -12.202 2.314 0.792 1.00 0.00 O ATOM 0 H ASP A 107 -9.605 1.073 0.207 1.00 0.00 H new ATOM 0 HA ASP A 107 -8.246 3.176 1.787 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -10.354 3.134 3.220 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -10.504 3.923 1.662 1.00 0.00 H new ATOM 1581 N GLY A 108 -7.781 0.334 2.165 1.00 0.00 N ATOM 1582 CA GLY A 108 -7.335 -0.782 2.977 1.00 0.00 C ATOM 1583 C GLY A 108 -8.445 -1.773 3.264 1.00 0.00 C ATOM 1584 O GLY A 108 -8.460 -2.412 4.317 1.00 0.00 O ATOM 0 H GLY A 108 -7.425 0.338 1.209 1.00 0.00 H new ATOM 0 HA2 GLY A 108 -6.518 -1.294 2.468 1.00 0.00 H new ATOM 0 HA3 GLY A 108 -6.937 -0.405 3.919 1.00 0.00 H new ATOM 1588 N SER A 109 -9.378 -1.902 2.327 1.00 0.00 N ATOM 1589 CA SER A 109 -10.498 -2.823 2.486 1.00 0.00 C ATOM 1590 C SER A 109 -11.035 -3.265 1.128 1.00 0.00 C ATOM 1591 O SER A 109 -11.358 -2.437 0.276 1.00 0.00 O ATOM 1592 CB SER A 109 -11.615 -2.165 3.298 1.00 0.00 C ATOM 1593 OG SER A 109 -11.136 -1.714 4.553 1.00 0.00 O ATOM 0 H SER A 109 -9.381 -1.381 1.450 1.00 0.00 H new ATOM 0 HA SER A 109 -10.140 -3.703 3.020 1.00 0.00 H new ATOM 0 HB2 SER A 109 -12.028 -1.325 2.740 1.00 0.00 H new ATOM 0 HB3 SER A 109 -12.426 -2.877 3.449 1.00 0.00 H new ATOM 0 HG SER A 109 -11.746 -1.035 4.911 1.00 0.00 H new ATOM 1599 N VAL A 110 -11.127 -4.578 0.933 1.00 0.00 N ATOM 1600 CA VAL A 110 -11.624 -5.129 -0.321 1.00 0.00 C ATOM 1601 C VAL A 110 -12.601 -6.274 -0.070 1.00 0.00 C ATOM 1602 O VAL A 110 -12.233 -7.304 0.496 1.00 0.00 O ATOM 1603 CB VAL A 110 -10.472 -5.639 -1.207 1.00 0.00 C ATOM 1604 CG1 VAL A 110 -10.988 -6.024 -2.586 1.00 0.00 C ATOM 1605 CG2 VAL A 110 -9.377 -4.589 -1.314 1.00 0.00 C ATOM 0 H VAL A 110 -10.864 -5.278 1.627 1.00 0.00 H new ATOM 0 HA VAL A 110 -12.140 -4.320 -0.838 1.00 0.00 H new ATOM 0 HB VAL A 110 -10.047 -6.529 -0.742 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -10.160 -6.382 -3.198 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -11.734 -6.813 -2.488 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -11.440 -5.154 -3.061 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -8.571 -4.966 -1.944 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -9.786 -3.680 -1.755 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -8.987 -4.367 -0.320 1.00 0.00 H new ATOM 1615 N ALA A 111 -13.846 -6.085 -0.495 1.00 0.00 N ATOM 1616 CA ALA A 111 -14.877 -7.101 -0.316 1.00 0.00 C ATOM 1617 C ALA A 111 -15.069 -7.435 1.158 1.00 0.00 C ATOM 1618 O ALA A 111 -15.426 -8.560 1.509 1.00 0.00 O ATOM 1619 CB ALA A 111 -14.522 -8.355 -1.101 1.00 0.00 C ATOM 0 H ALA A 111 -14.165 -5.238 -0.966 1.00 0.00 H new ATOM 0 HA ALA A 111 -15.817 -6.701 -0.696 1.00 0.00 H new ATOM 0 HB1 ALA A 111 -15.300 -9.106 -0.959 1.00 0.00 H new ATOM 0 HB2 ALA A 111 -14.443 -8.111 -2.160 1.00 0.00 H new ATOM 0 HB3 ALA A 111 -13.569 -8.748 -0.747 1.00 0.00 H new ATOM 1625 N GLY A 112 -14.830 -6.451 2.019 1.00 0.00 N ATOM 1626 CA GLY A 112 -14.983 -6.663 3.447 1.00 0.00 C ATOM 1627 C GLY A 112 -13.679 -7.040 4.122 1.00 0.00 C ATOM 1628 O GLY A 112 -13.529 -6.869 5.332 1.00 0.00 O ATOM 0 H GLY A 112 -14.533 -5.512 1.754 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -15.376 -5.756 3.905 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -15.717 -7.450 3.617 1.00 0.00 H new ATOM 1632 N VAL A 113 -12.733 -7.555 3.342 1.00 0.00 N ATOM 1633 CA VAL A 113 -11.438 -7.957 3.875 1.00 0.00 C ATOM 1634 C VAL A 113 -10.590 -6.742 4.236 1.00 0.00 C ATOM 1635 O VAL A 113 -10.018 -6.091 3.362 1.00 0.00 O ATOM 1636 CB VAL A 113 -10.662 -8.830 2.871 1.00 0.00 C ATOM 1637 CG1 VAL A 113 -9.411 -9.403 3.515 1.00 0.00 C ATOM 1638 CG2 VAL A 113 -11.550 -9.941 2.331 1.00 0.00 C ATOM 0 H VAL A 113 -12.840 -7.703 2.339 1.00 0.00 H new ATOM 0 HA VAL A 113 -11.635 -8.540 4.775 1.00 0.00 H new ATOM 0 HB VAL A 113 -10.355 -8.202 2.034 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -8.877 -10.017 2.790 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -8.767 -8.589 3.846 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -9.691 -10.015 4.372 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -10.985 -10.547 1.623 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -11.890 -10.568 3.155 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -12.413 -9.505 1.827 1.00 0.00 H new ATOM 1648 N ARG A 114 -10.513 -6.443 5.529 1.00 0.00 N ATOM 1649 CA ARG A 114 -9.733 -5.306 6.004 1.00 0.00 C ATOM 1650 C ARG A 114 -8.275 -5.698 6.216 1.00 0.00 C ATOM 1651 O ARG A 114 -7.976 -6.649 6.938 1.00 0.00 O ATOM 1652 CB ARG A 114 -10.324 -4.766 7.309 1.00 0.00 C ATOM 1653 CG ARG A 114 -10.248 -3.253 7.431 1.00 0.00 C ATOM 1654 CD ARG A 114 -11.283 -2.717 8.410 1.00 0.00 C ATOM 1655 NE ARG A 114 -12.180 -1.750 7.783 1.00 0.00 N ATOM 1656 CZ ARG A 114 -12.928 -0.884 8.462 1.00 0.00 C ATOM 1657 NH1 ARG A 114 -12.889 -0.861 9.789 1.00 0.00 N ATOM 1658 NH2 ARG A 114 -13.717 -0.039 7.812 1.00 0.00 N ATOM 0 H ARG A 114 -10.981 -6.972 6.265 1.00 0.00 H new ATOM 0 HA ARG A 114 -9.773 -4.525 5.244 1.00 0.00 H new ATOM 0 HB2 ARG A 114 -11.366 -5.076 7.382 1.00 0.00 H new ATOM 0 HB3 ARG A 114 -9.798 -5.217 8.150 1.00 0.00 H new ATOM 0 HG2 ARG A 114 -9.250 -2.964 7.761 1.00 0.00 H new ATOM 0 HG3 ARG A 114 -10.404 -2.800 6.452 1.00 0.00 H new ATOM 0 HD2 ARG A 114 -11.866 -3.546 8.811 1.00 0.00 H new ATOM 0 HD3 ARG A 114 -10.776 -2.248 9.253 1.00 0.00 H new ATOM 0 HE ARG A 114 -12.236 -1.738 6.765 1.00 0.00 H new ATOM 0 HH11 ARG A 114 -12.284 -1.509 10.293 1.00 0.00 H new ATOM 0 HH12 ARG A 114 -13.464 -0.195 10.305 1.00 0.00 H new ATOM 0 HH21 ARG A 114 -13.750 -0.053 6.793 1.00 0.00 H new ATOM 0 HH22 ARG A 114 -14.291 0.625 8.331 1.00 0.00 H new ATOM 1672 N TYR A 115 -7.371 -4.959 5.582 1.00 0.00 N ATOM 1673 CA TYR A 115 -5.943 -5.230 5.702 1.00 0.00 C ATOM 1674 C TYR A 115 -5.258 -4.175 6.565 1.00 0.00 C ATOM 1675 O TYR A 115 -4.330 -4.478 7.314 1.00 0.00 O ATOM 1676 CB TYR A 115 -5.293 -5.275 4.318 1.00 0.00 C ATOM 1677 CG TYR A 115 -5.947 -6.259 3.374 1.00 0.00 C ATOM 1678 CD1 TYR A 115 -7.112 -5.928 2.693 1.00 0.00 C ATOM 1679 CD2 TYR A 115 -5.399 -7.518 3.162 1.00 0.00 C ATOM 1680 CE1 TYR A 115 -7.713 -6.824 1.830 1.00 0.00 C ATOM 1681 CE2 TYR A 115 -5.993 -8.419 2.299 1.00 0.00 C ATOM 1682 CZ TYR A 115 -7.150 -8.067 1.635 1.00 0.00 C ATOM 1683 OH TYR A 115 -7.745 -8.961 0.777 1.00 0.00 O ATOM 0 H TYR A 115 -7.601 -4.168 4.980 1.00 0.00 H new ATOM 0 HA TYR A 115 -5.823 -6.200 6.184 1.00 0.00 H new ATOM 0 HB2 TYR A 115 -5.331 -4.280 3.875 1.00 0.00 H new ATOM 0 HB3 TYR A 115 -4.240 -5.535 4.428 1.00 0.00 H new ATOM 0 HD1 TYR A 115 -7.555 -4.954 2.841 1.00 0.00 H new ATOM 0 HD2 TYR A 115 -4.494 -7.797 3.680 1.00 0.00 H new ATOM 0 HE1 TYR A 115 -8.620 -6.552 1.310 1.00 0.00 H new ATOM 0 HE2 TYR A 115 -5.554 -9.394 2.145 1.00 0.00 H new ATOM 0 HH TYR A 115 -7.576 -9.875 1.088 1.00 0.00 H new ATOM 1693 N PHE A 116 -5.724 -2.935 6.454 1.00 0.00 N ATOM 1694 CA PHE A 116 -5.156 -1.835 7.224 1.00 0.00 C ATOM 1695 C PHE A 116 -6.089 -0.628 7.217 1.00 0.00 C ATOM 1696 O PHE A 116 -6.476 -0.135 6.157 1.00 0.00 O ATOM 1697 CB PHE A 116 -3.789 -1.442 6.660 1.00 0.00 C ATOM 1698 CG PHE A 116 -3.845 -0.932 5.252 1.00 0.00 C ATOM 1699 CD1 PHE A 116 -3.977 -1.812 4.192 1.00 0.00 C ATOM 1700 CD2 PHE A 116 -3.758 0.425 4.989 1.00 0.00 C ATOM 1701 CE1 PHE A 116 -4.023 -1.349 2.893 1.00 0.00 C ATOM 1702 CE2 PHE A 116 -3.803 0.894 3.692 1.00 0.00 C ATOM 1703 CZ PHE A 116 -3.936 0.005 2.644 1.00 0.00 C ATOM 0 H PHE A 116 -6.492 -2.667 5.839 1.00 0.00 H new ATOM 0 HA PHE A 116 -5.033 -2.170 8.254 1.00 0.00 H new ATOM 0 HB2 PHE A 116 -3.349 -0.676 7.298 1.00 0.00 H new ATOM 0 HB3 PHE A 116 -3.127 -2.307 6.698 1.00 0.00 H new ATOM 0 HD1 PHE A 116 -4.045 -2.873 4.384 1.00 0.00 H new ATOM 0 HD2 PHE A 116 -3.654 1.123 5.807 1.00 0.00 H new ATOM 0 HE1 PHE A 116 -4.127 -2.045 2.073 1.00 0.00 H new ATOM 0 HE2 PHE A 116 -3.734 1.954 3.497 1.00 0.00 H new ATOM 0 HZ PHE A 116 -3.972 0.370 1.628 1.00 0.00 H new ATOM 1713 N GLN A 117 -6.445 -0.155 8.407 1.00 0.00 N ATOM 1714 CA GLN A 117 -7.333 0.996 8.538 1.00 0.00 C ATOM 1715 C GLN A 117 -6.615 2.282 8.141 1.00 0.00 C ATOM 1716 O GLN A 117 -5.619 2.663 8.754 1.00 0.00 O ATOM 1717 CB GLN A 117 -7.849 1.107 9.974 1.00 0.00 C ATOM 1718 CG GLN A 117 -8.828 2.252 10.180 1.00 0.00 C ATOM 1719 CD GLN A 117 -9.992 2.206 9.209 1.00 0.00 C ATOM 1720 OE1 GLN A 117 -10.892 1.376 9.338 1.00 0.00 O ATOM 1721 NE2 GLN A 117 -9.979 3.103 8.230 1.00 0.00 N ATOM 0 H GLN A 117 -6.133 -0.550 9.294 1.00 0.00 H new ATOM 0 HA GLN A 117 -8.179 0.851 7.866 1.00 0.00 H new ATOM 0 HB2 GLN A 117 -8.334 0.171 10.251 1.00 0.00 H new ATOM 0 HB3 GLN A 117 -7.002 1.238 10.647 1.00 0.00 H new ATOM 0 HG2 GLN A 117 -9.210 2.220 11.201 1.00 0.00 H new ATOM 0 HG3 GLN A 117 -8.302 3.200 10.066 1.00 0.00 H new ATOM 0 HE21 GLN A 117 -9.212 3.772 8.162 1.00 0.00 H new ATOM 0 HE22 GLN A 117 -10.736 3.123 7.546 1.00 0.00 H new ATOM 1730 N CYS A 118 -7.130 2.946 7.112 1.00 0.00 N ATOM 1731 CA CYS A 118 -6.539 4.190 6.632 1.00 0.00 C ATOM 1732 C CYS A 118 -7.613 5.131 6.097 1.00 0.00 C ATOM 1733 O CYS A 118 -8.773 4.746 5.952 1.00 0.00 O ATOM 1734 CB CYS A 118 -5.508 3.901 5.540 1.00 0.00 C ATOM 1735 SG CYS A 118 -6.171 2.998 4.120 1.00 0.00 S ATOM 0 H CYS A 118 -7.955 2.644 6.594 1.00 0.00 H new ATOM 0 HA CYS A 118 -6.042 4.675 7.472 1.00 0.00 H new ATOM 0 HB2 CYS A 118 -5.088 4.845 5.193 1.00 0.00 H new ATOM 0 HB3 CYS A 118 -4.688 3.327 5.972 1.00 0.00 H new ATOM 0 HG CYS A 118 -5.440 1.947 3.894 1.00 0.00 H new ATOM 1741 N GLU A 119 -7.219 6.366 5.804 1.00 0.00 N ATOM 1742 CA GLU A 119 -8.149 7.361 5.284 1.00 0.00 C ATOM 1743 C GLU A 119 -8.501 7.068 3.827 1.00 0.00 C ATOM 1744 O GLU A 119 -7.690 6.514 3.085 1.00 0.00 O ATOM 1745 CB GLU A 119 -7.549 8.763 5.405 1.00 0.00 C ATOM 1746 CG GLU A 119 -7.332 9.211 6.841 1.00 0.00 C ATOM 1747 CD GLU A 119 -8.590 9.107 7.680 1.00 0.00 C ATOM 1748 OE1 GLU A 119 -9.602 9.740 7.315 1.00 0.00 O ATOM 1749 OE2 GLU A 119 -8.562 8.392 8.704 1.00 0.00 O ATOM 0 H GLU A 119 -6.262 6.701 5.918 1.00 0.00 H new ATOM 0 HA GLU A 119 -9.063 7.313 5.876 1.00 0.00 H new ATOM 0 HB2 GLU A 119 -6.595 8.788 4.878 1.00 0.00 H new ATOM 0 HB3 GLU A 119 -8.207 9.475 4.907 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -6.547 8.604 7.293 1.00 0.00 H new ATOM 0 HG3 GLU A 119 -6.980 10.243 6.847 1.00 0.00 H new ATOM 1756 N PRO A 120 -9.720 7.436 3.397 1.00 0.00 N ATOM 1757 CA PRO A 120 -10.174 7.208 2.021 1.00 0.00 C ATOM 1758 C PRO A 120 -9.265 7.871 0.991 1.00 0.00 C ATOM 1759 O PRO A 120 -8.735 8.957 1.224 1.00 0.00 O ATOM 1760 CB PRO A 120 -11.568 7.846 1.987 1.00 0.00 C ATOM 1761 CG PRO A 120 -12.002 7.901 3.410 1.00 0.00 C ATOM 1762 CD PRO A 120 -10.751 8.098 4.216 1.00 0.00 C ATOM 0 HA PRO A 120 -10.170 6.148 1.767 1.00 0.00 H new ATOM 0 HB2 PRO A 120 -11.535 8.842 1.546 1.00 0.00 H new ATOM 0 HB3 PRO A 120 -12.258 7.254 1.386 1.00 0.00 H new ATOM 0 HG2 PRO A 120 -12.704 8.719 3.573 1.00 0.00 H new ATOM 0 HG3 PRO A 120 -12.511 6.982 3.699 1.00 0.00 H new ATOM 0 HD2 PRO A 120 -10.530 9.155 4.366 1.00 0.00 H new ATOM 0 HD3 PRO A 120 -10.833 7.646 5.205 1.00 0.00 H new ATOM 1770 N LEU A 121 -9.093 7.210 -0.150 1.00 0.00 N ATOM 1771 CA LEU A 121 -8.252 7.734 -1.221 1.00 0.00 C ATOM 1772 C LEU A 121 -6.803 7.884 -0.764 1.00 0.00 C ATOM 1773 O LEU A 121 -6.177 8.922 -0.982 1.00 0.00 O ATOM 1774 CB LEU A 121 -8.790 9.084 -1.704 1.00 0.00 C ATOM 1775 CG LEU A 121 -10.310 9.162 -1.847 1.00 0.00 C ATOM 1776 CD1 LEU A 121 -10.786 10.599 -1.703 1.00 0.00 C ATOM 1777 CD2 LEU A 121 -10.750 8.584 -3.183 1.00 0.00 C ATOM 0 H LEU A 121 -9.525 6.310 -0.357 1.00 0.00 H new ATOM 0 HA LEU A 121 -8.277 7.021 -2.045 1.00 0.00 H new ATOM 0 HB2 LEU A 121 -8.466 9.857 -1.007 1.00 0.00 H new ATOM 0 HB3 LEU A 121 -8.337 9.314 -2.669 1.00 0.00 H new ATOM 0 HG LEU A 121 -10.762 8.570 -1.051 1.00 0.00 H new ATOM 0 HD11 LEU A 121 -11.870 10.635 -1.808 1.00 0.00 H new ATOM 0 HD12 LEU A 121 -10.503 10.979 -0.721 1.00 0.00 H new ATOM 0 HD13 LEU A 121 -10.326 11.214 -2.477 1.00 0.00 H new ATOM 0 HD21 LEU A 121 -11.835 8.648 -3.267 1.00 0.00 H new ATOM 0 HD22 LEU A 121 -10.289 9.149 -3.993 1.00 0.00 H new ATOM 0 HD23 LEU A 121 -10.442 7.540 -3.247 1.00 0.00 H new ATOM 1789 N LYS A 122 -6.275 6.842 -0.130 1.00 0.00 N ATOM 1790 CA LYS A 122 -4.900 6.861 0.353 1.00 0.00 C ATOM 1791 C LYS A 122 -4.306 5.456 0.355 1.00 0.00 C ATOM 1792 O LYS A 122 -3.214 5.232 -0.167 1.00 0.00 O ATOM 1793 CB LYS A 122 -4.838 7.457 1.760 1.00 0.00 C ATOM 1794 CG LYS A 122 -4.662 8.966 1.772 1.00 0.00 C ATOM 1795 CD LYS A 122 -5.587 9.630 2.780 1.00 0.00 C ATOM 1796 CE LYS A 122 -6.032 11.004 2.307 1.00 0.00 C ATOM 1797 NZ LYS A 122 -6.560 11.833 3.426 1.00 0.00 N ATOM 0 H LYS A 122 -6.778 5.975 0.061 1.00 0.00 H new ATOM 0 HA LYS A 122 -4.313 7.484 -0.322 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -5.753 7.202 2.295 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -4.012 6.999 2.304 1.00 0.00 H new ATOM 0 HG2 LYS A 122 -3.627 9.210 2.011 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -4.862 9.364 0.777 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -6.461 9.000 2.944 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -5.076 9.722 3.739 1.00 0.00 H new ATOM 0 HE2 LYS A 122 -5.191 11.517 1.841 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -6.801 10.893 1.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -6.853 12.762 3.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -7.378 11.356 3.855 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -5.818 11.961 4.144 1.00 0.00 H new ATOM 1811 N GLY A 123 -5.032 4.512 0.946 1.00 0.00 N ATOM 1812 CA GLY A 123 -4.559 3.142 1.002 1.00 0.00 C ATOM 1813 C GLY A 123 -4.539 2.481 -0.362 1.00 0.00 C ATOM 1814 O GLY A 123 -5.581 2.087 -0.884 1.00 0.00 O ATOM 0 H GLY A 123 -5.938 4.672 1.386 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -3.555 3.124 1.426 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -5.198 2.567 1.672 1.00 0.00 H new ATOM 1818 N ILE A 124 -3.349 2.360 -0.940 1.00 0.00 N ATOM 1819 CA ILE A 124 -3.195 1.743 -2.253 1.00 0.00 C ATOM 1820 C ILE A 124 -2.312 0.501 -2.177 1.00 0.00 C ATOM 1821 O ILE A 124 -1.276 0.504 -1.513 1.00 0.00 O ATOM 1822 CB ILE A 124 -2.594 2.733 -3.271 1.00 0.00 C ATOM 1823 CG1 ILE A 124 -2.546 2.106 -4.668 1.00 0.00 C ATOM 1824 CG2 ILE A 124 -1.203 3.171 -2.831 1.00 0.00 C ATOM 1825 CD1 ILE A 124 -3.167 2.972 -5.741 1.00 0.00 C ATOM 0 H ILE A 124 -2.477 2.681 -0.520 1.00 0.00 H new ATOM 0 HA ILE A 124 -4.191 1.453 -2.587 1.00 0.00 H new ATOM 0 HB ILE A 124 -3.234 3.614 -3.314 1.00 0.00 H new ATOM 0 HG12 ILE A 124 -1.508 1.904 -4.931 1.00 0.00 H new ATOM 0 HG13 ILE A 124 -3.061 1.146 -4.644 1.00 0.00 H new ATOM 0 HG21 ILE A 124 -0.794 3.869 -3.561 1.00 0.00 H new ATOM 0 HG22 ILE A 124 -1.266 3.658 -1.858 1.00 0.00 H new ATOM 0 HG23 ILE A 124 -0.553 2.299 -2.759 1.00 0.00 H new ATOM 0 HD11 ILE A 124 -3.097 2.465 -6.703 1.00 0.00 H new ATOM 0 HD12 ILE A 124 -4.215 3.153 -5.501 1.00 0.00 H new ATOM 0 HD13 ILE A 124 -2.637 3.923 -5.793 1.00 0.00 H new ATOM 1837 N PHE A 125 -2.729 -0.558 -2.864 1.00 0.00 N ATOM 1838 CA PHE A 125 -1.975 -1.806 -2.875 1.00 0.00 C ATOM 1839 C PHE A 125 -1.034 -1.861 -4.074 1.00 0.00 C ATOM 1840 O PHE A 125 -1.468 -2.053 -5.209 1.00 0.00 O ATOM 1841 CB PHE A 125 -2.928 -3.002 -2.905 1.00 0.00 C ATOM 1842 CG PHE A 125 -3.368 -3.457 -1.543 1.00 0.00 C ATOM 1843 CD1 PHE A 125 -2.487 -4.116 -0.700 1.00 0.00 C ATOM 1844 CD2 PHE A 125 -4.662 -3.225 -1.104 1.00 0.00 C ATOM 1845 CE1 PHE A 125 -2.889 -4.535 0.554 1.00 0.00 C ATOM 1846 CE2 PHE A 125 -5.070 -3.642 0.149 1.00 0.00 C ATOM 1847 CZ PHE A 125 -4.182 -4.298 0.979 1.00 0.00 C ATOM 0 H PHE A 125 -3.584 -0.577 -3.420 1.00 0.00 H new ATOM 0 HA PHE A 125 -1.378 -1.849 -1.964 1.00 0.00 H new ATOM 0 HB2 PHE A 125 -3.808 -2.740 -3.493 1.00 0.00 H new ATOM 0 HB3 PHE A 125 -2.440 -3.832 -3.416 1.00 0.00 H new ATOM 0 HD1 PHE A 125 -1.475 -4.304 -1.027 1.00 0.00 H new ATOM 0 HD2 PHE A 125 -5.360 -2.712 -1.749 1.00 0.00 H new ATOM 0 HE1 PHE A 125 -2.193 -5.047 1.201 1.00 0.00 H new ATOM 0 HE2 PHE A 125 -6.081 -3.455 0.479 1.00 0.00 H new ATOM 0 HZ PHE A 125 -4.498 -4.625 1.959 1.00 0.00 H new ATOM 1857 N THR A 126 0.259 -1.690 -3.814 1.00 0.00 N ATOM 1858 CA THR A 126 1.262 -1.719 -4.873 1.00 0.00 C ATOM 1859 C THR A 126 2.409 -2.657 -4.512 1.00 0.00 C ATOM 1860 O THR A 126 2.585 -3.021 -3.350 1.00 0.00 O ATOM 1861 CB THR A 126 1.800 -0.311 -5.133 1.00 0.00 C ATOM 1862 OG1 THR A 126 2.720 -0.316 -6.211 1.00 0.00 O ATOM 1863 CG2 THR A 126 2.500 0.293 -3.934 1.00 0.00 C ATOM 0 H THR A 126 0.636 -1.530 -2.880 1.00 0.00 H new ATOM 0 HA THR A 126 0.786 -2.091 -5.780 1.00 0.00 H new ATOM 0 HB THR A 126 0.924 0.295 -5.365 1.00 0.00 H new ATOM 0 HG1 THR A 126 3.051 0.594 -6.363 1.00 0.00 H new ATOM 0 HG21 THR A 126 2.857 1.291 -4.186 1.00 0.00 H new ATOM 0 HG22 THR A 126 1.802 0.357 -3.099 1.00 0.00 H new ATOM 0 HG23 THR A 126 3.346 -0.334 -3.652 1.00 0.00 H new ATOM 1871 N ARG A 127 3.187 -3.044 -5.517 1.00 0.00 N ATOM 1872 CA ARG A 127 4.318 -3.940 -5.307 1.00 0.00 C ATOM 1873 C ARG A 127 5.424 -3.246 -4.515 1.00 0.00 C ATOM 1874 O ARG A 127 5.770 -2.098 -4.796 1.00 0.00 O ATOM 1875 CB ARG A 127 4.866 -4.423 -6.653 1.00 0.00 C ATOM 1876 CG ARG A 127 5.261 -5.891 -6.659 1.00 0.00 C ATOM 1877 CD ARG A 127 6.581 -6.111 -7.380 1.00 0.00 C ATOM 1878 NE ARG A 127 7.227 -7.356 -6.972 1.00 0.00 N ATOM 1879 CZ ARG A 127 8.288 -7.876 -7.585 1.00 0.00 C ATOM 1880 NH1 ARG A 127 8.825 -7.262 -8.632 1.00 0.00 N ATOM 1881 NH2 ARG A 127 8.814 -9.014 -7.150 1.00 0.00 N ATOM 0 H ARG A 127 3.055 -2.751 -6.485 1.00 0.00 H new ATOM 0 HA ARG A 127 3.969 -4.798 -4.733 1.00 0.00 H new ATOM 0 HB2 ARG A 127 4.113 -4.255 -7.423 1.00 0.00 H new ATOM 0 HB3 ARG A 127 5.735 -3.821 -6.919 1.00 0.00 H new ATOM 0 HG2 ARG A 127 5.341 -6.251 -5.633 1.00 0.00 H new ATOM 0 HG3 ARG A 127 4.479 -6.477 -7.142 1.00 0.00 H new ATOM 0 HD2 ARG A 127 6.408 -6.128 -8.456 1.00 0.00 H new ATOM 0 HD3 ARG A 127 7.248 -5.273 -7.178 1.00 0.00 H new ATOM 0 HE ARG A 127 6.843 -7.856 -6.170 1.00 0.00 H new ATOM 0 HH11 ARG A 127 8.425 -6.387 -8.971 1.00 0.00 H new ATOM 0 HH12 ARG A 127 9.638 -7.665 -9.098 1.00 0.00 H new ATOM 0 HH21 ARG A 127 8.405 -9.490 -6.346 1.00 0.00 H new ATOM 0 HH22 ARG A 127 9.627 -9.412 -7.620 1.00 0.00 H new ATOM 1895 N PRO A 128 6.000 -3.931 -3.509 1.00 0.00 N ATOM 1896 CA PRO A 128 7.073 -3.363 -2.684 1.00 0.00 C ATOM 1897 C PRO A 128 8.254 -2.887 -3.523 1.00 0.00 C ATOM 1898 O PRO A 128 8.853 -1.849 -3.239 1.00 0.00 O ATOM 1899 CB PRO A 128 7.498 -4.529 -1.786 1.00 0.00 C ATOM 1900 CG PRO A 128 6.322 -5.442 -1.758 1.00 0.00 C ATOM 1901 CD PRO A 128 5.657 -5.305 -3.099 1.00 0.00 C ATOM 0 HA PRO A 128 6.736 -2.486 -2.132 1.00 0.00 H new ATOM 0 HB2 PRO A 128 8.379 -5.033 -2.184 1.00 0.00 H new ATOM 0 HB3 PRO A 128 7.753 -4.183 -0.784 1.00 0.00 H new ATOM 0 HG2 PRO A 128 6.632 -6.472 -1.580 1.00 0.00 H new ATOM 0 HG3 PRO A 128 5.638 -5.172 -0.954 1.00 0.00 H new ATOM 0 HD2 PRO A 128 6.030 -6.042 -3.810 1.00 0.00 H new ATOM 0 HD3 PRO A 128 4.578 -5.447 -3.030 1.00 0.00 H new ATOM 1909 N SER A 129 8.584 -3.655 -4.556 1.00 0.00 N ATOM 1910 CA SER A 129 9.695 -3.316 -5.439 1.00 0.00 C ATOM 1911 C SER A 129 9.491 -1.944 -6.076 1.00 0.00 C ATOM 1912 O SER A 129 10.454 -1.259 -6.419 1.00 0.00 O ATOM 1913 CB SER A 129 9.848 -4.378 -6.528 1.00 0.00 C ATOM 1914 OG SER A 129 11.214 -4.618 -6.819 1.00 0.00 O ATOM 0 H SER A 129 8.098 -4.517 -4.803 1.00 0.00 H new ATOM 0 HA SER A 129 10.604 -3.284 -4.839 1.00 0.00 H new ATOM 0 HB2 SER A 129 9.374 -5.305 -6.206 1.00 0.00 H new ATOM 0 HB3 SER A 129 9.332 -4.053 -7.432 1.00 0.00 H new ATOM 0 HG SER A 129 11.284 -5.302 -7.517 1.00 0.00 H new ATOM 1920 N LYS A 130 8.231 -1.549 -6.233 1.00 0.00 N ATOM 1921 CA LYS A 130 7.904 -0.259 -6.828 1.00 0.00 C ATOM 1922 C LYS A 130 8.166 0.877 -5.843 1.00 0.00 C ATOM 1923 O LYS A 130 8.501 1.992 -6.241 1.00 0.00 O ATOM 1924 CB LYS A 130 6.441 -0.235 -7.274 1.00 0.00 C ATOM 1925 CG LYS A 130 6.169 -1.065 -8.518 1.00 0.00 C ATOM 1926 CD LYS A 130 6.571 -0.324 -9.782 1.00 0.00 C ATOM 1927 CE LYS A 130 5.564 -0.541 -10.900 1.00 0.00 C ATOM 1928 NZ LYS A 130 6.222 -0.627 -12.233 1.00 0.00 N ATOM 0 H LYS A 130 7.421 -2.104 -5.956 1.00 0.00 H new ATOM 0 HA LYS A 130 8.544 -0.116 -7.699 1.00 0.00 H new ATOM 0 HB2 LYS A 130 5.816 -0.601 -6.460 1.00 0.00 H new ATOM 0 HB3 LYS A 130 6.145 0.797 -7.464 1.00 0.00 H new ATOM 0 HG2 LYS A 130 6.717 -2.005 -8.456 1.00 0.00 H new ATOM 0 HG3 LYS A 130 5.109 -1.317 -8.564 1.00 0.00 H new ATOM 0 HD2 LYS A 130 6.655 0.742 -9.569 1.00 0.00 H new ATOM 0 HD3 LYS A 130 7.555 -0.663 -10.106 1.00 0.00 H new ATOM 0 HE2 LYS A 130 5.005 -1.457 -10.712 1.00 0.00 H new ATOM 0 HE3 LYS A 130 4.844 0.277 -10.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 130 5.501 -0.775 -12.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 130 6.735 0.257 -12.425 1.00 0.00 H new ATOM 0 HZ3 LYS A 130 6.891 -1.423 -12.239 1.00 0.00 H new ATOM 1942 N LEU A 131 8.009 0.583 -4.557 1.00 0.00 N ATOM 1943 CA LEU A 131 8.228 1.578 -3.513 1.00 0.00 C ATOM 1944 C LEU A 131 9.665 2.089 -3.540 1.00 0.00 C ATOM 1945 O LEU A 131 10.569 1.404 -4.019 1.00 0.00 O ATOM 1946 CB LEU A 131 7.910 0.983 -2.141 1.00 0.00 C ATOM 1947 CG LEU A 131 6.508 0.389 -2.001 1.00 0.00 C ATOM 1948 CD1 LEU A 131 6.369 -0.346 -0.677 1.00 0.00 C ATOM 1949 CD2 LEU A 131 5.452 1.478 -2.121 1.00 0.00 C ATOM 0 H LEU A 131 7.731 -0.336 -4.212 1.00 0.00 H new ATOM 0 HA LEU A 131 7.561 2.419 -3.700 1.00 0.00 H new ATOM 0 HB2 LEU A 131 8.641 0.205 -1.921 1.00 0.00 H new ATOM 0 HB3 LEU A 131 8.035 1.760 -1.387 1.00 0.00 H new ATOM 0 HG LEU A 131 6.356 -0.327 -2.809 1.00 0.00 H new ATOM 0 HD11 LEU A 131 5.365 -0.762 -0.595 1.00 0.00 H new ATOM 0 HD12 LEU A 131 7.101 -1.153 -0.630 1.00 0.00 H new ATOM 0 HD13 LEU A 131 6.542 0.349 0.145 1.00 0.00 H new ATOM 0 HD21 LEU A 131 4.461 1.036 -2.019 1.00 0.00 H new ATOM 0 HD22 LEU A 131 5.602 2.219 -1.335 1.00 0.00 H new ATOM 0 HD23 LEU A 131 5.536 1.960 -3.095 1.00 0.00 H new ATOM 1961 N THR A 132 9.868 3.296 -3.023 1.00 0.00 N ATOM 1962 CA THR A 132 11.195 3.899 -2.987 1.00 0.00 C ATOM 1963 C THR A 132 11.419 4.646 -1.676 1.00 0.00 C ATOM 1964 O THR A 132 10.540 4.684 -0.814 1.00 0.00 O ATOM 1965 CB THR A 132 11.376 4.853 -4.168 1.00 0.00 C ATOM 1966 OG1 THR A 132 10.388 5.870 -4.147 1.00 0.00 O ATOM 1967 CG2 THR A 132 11.295 4.165 -5.513 1.00 0.00 C ATOM 0 H THR A 132 9.130 3.876 -2.623 1.00 0.00 H new ATOM 0 HA THR A 132 11.932 3.099 -3.058 1.00 0.00 H new ATOM 0 HB THR A 132 12.376 5.269 -4.051 1.00 0.00 H new ATOM 0 HG1 THR A 132 10.770 6.689 -3.769 1.00 0.00 H new ATOM 0 HG21 THR A 132 11.432 4.900 -6.306 1.00 0.00 H new ATOM 0 HG22 THR A 132 12.076 3.407 -5.582 1.00 0.00 H new ATOM 0 HG23 THR A 132 10.319 3.692 -5.621 1.00 0.00 H new ATOM 1975 N ARG A 133 12.601 5.238 -1.532 1.00 0.00 N ATOM 1976 CA ARG A 133 12.939 5.984 -0.325 1.00 0.00 C ATOM 1977 C ARG A 133 13.231 7.446 -0.652 1.00 0.00 C ATOM 1978 O ARG A 133 14.215 7.759 -1.322 1.00 0.00 O ATOM 1979 CB ARG A 133 14.148 5.350 0.369 1.00 0.00 C ATOM 1980 CG ARG A 133 13.945 5.125 1.858 1.00 0.00 C ATOM 1981 CD ARG A 133 15.268 5.111 2.605 1.00 0.00 C ATOM 1982 NE ARG A 133 15.267 4.146 3.703 1.00 0.00 N ATOM 1983 CZ ARG A 133 14.696 4.369 4.884 1.00 0.00 C ATOM 1984 NH1 ARG A 133 14.079 5.519 5.125 1.00 0.00 N ATOM 1985 NH2 ARG A 133 14.741 3.438 5.828 1.00 0.00 N ATOM 0 H ARG A 133 13.340 5.216 -2.235 1.00 0.00 H new ATOM 0 HA ARG A 133 12.082 5.947 0.348 1.00 0.00 H new ATOM 0 HB2 ARG A 133 14.371 4.395 -0.107 1.00 0.00 H new ATOM 0 HB3 ARG A 133 15.018 5.990 0.222 1.00 0.00 H new ATOM 0 HG2 ARG A 133 13.306 5.911 2.262 1.00 0.00 H new ATOM 0 HG3 ARG A 133 13.426 4.179 2.017 1.00 0.00 H new ATOM 0 HD2 ARG A 133 16.073 4.870 1.911 1.00 0.00 H new ATOM 0 HD3 ARG A 133 15.473 6.107 2.998 1.00 0.00 H new ATOM 0 HE ARG A 133 15.731 3.250 3.555 1.00 0.00 H new ATOM 0 HH11 ARG A 133 14.040 6.238 4.403 1.00 0.00 H new ATOM 0 HH12 ARG A 133 13.643 5.684 6.032 1.00 0.00 H new ATOM 0 HH21 ARG A 133 15.213 2.552 5.648 1.00 0.00 H new ATOM 0 HH22 ARG A 133 14.304 3.608 6.734 1.00 0.00 H new ATOM 1999 N LYS A 134 12.367 8.337 -0.175 1.00 0.00 N ATOM 2000 CA LYS A 134 12.530 9.767 -0.415 1.00 0.00 C ATOM 2001 C LYS A 134 12.565 10.070 -1.910 1.00 0.00 C ATOM 2002 O LYS A 134 13.367 10.881 -2.373 1.00 0.00 O ATOM 2003 CB LYS A 134 13.809 10.274 0.254 1.00 0.00 C ATOM 2004 CG LYS A 134 13.601 10.749 1.682 1.00 0.00 C ATOM 2005 CD LYS A 134 12.556 11.851 1.755 1.00 0.00 C ATOM 2006 CE LYS A 134 12.645 12.615 3.067 1.00 0.00 C ATOM 2007 NZ LYS A 134 12.049 13.976 2.958 1.00 0.00 N ATOM 0 H LYS A 134 11.547 8.094 0.380 1.00 0.00 H new ATOM 0 HA LYS A 134 11.673 10.283 0.018 1.00 0.00 H new ATOM 0 HB2 LYS A 134 14.552 9.476 0.250 1.00 0.00 H new ATOM 0 HB3 LYS A 134 14.218 11.094 -0.337 1.00 0.00 H new ATOM 0 HG2 LYS A 134 13.291 9.910 2.304 1.00 0.00 H new ATOM 0 HG3 LYS A 134 14.545 11.114 2.087 1.00 0.00 H new ATOM 0 HD2 LYS A 134 12.693 12.540 0.921 1.00 0.00 H new ATOM 0 HD3 LYS A 134 11.561 11.418 1.651 1.00 0.00 H new ATOM 0 HE2 LYS A 134 12.132 12.055 3.849 1.00 0.00 H new ATOM 0 HE3 LYS A 134 13.689 12.699 3.368 1.00 0.00 H new ATOM 0 HZ1 LYS A 134 12.129 14.464 3.873 1.00 0.00 H new ATOM 0 HZ2 LYS A 134 12.555 14.519 2.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 134 11.046 13.896 2.695 1.00 0.00 H new