USER MOD reduce.3.24.130724 H: found=0, std=0, add=552, rem=0, adj=11 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= -1.71 K(o=-1.8,f=-5.8!) USER MOD Set 1.2: A 115 TYR OH : rot 100:sc= -0.0823 USER MOD Single : A 74 ASN : amide:sc= -0.104 X(o=-0.1,f=0) USER MOD Single : A 76 ASN : amide:sc= -1.15 K(o=-1.1,f=-2.3!) USER MOD Single : A 77 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0138) USER MOD Single : A 82 GLN : amide:sc= 0.46 X(o=0.46,f=0) USER MOD Single : A 87 THR OG1 : rot 42:sc= 1.11 USER MOD Single : A 93 GLN : amide:sc= -0.0878 X(o=-0.088,f=0) USER MOD Single : A 105 LYS NZ :NH3+ 161:sc=-0.00991 (180deg=-0.143) USER MOD Single : A 106 ASN : amide:sc= -2.03 K(o=-2,f=-6.1!) USER MOD Single : A 109 SER OG : rot 180:sc= -0.589 USER MOD Single : A 117 GLN :FLIP amide:sc= -0.969 F(o=-1.6,f=-0.97) USER MOD Single : A 118 CYS SG : rot -132:sc= -1.1 USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 126 THR OG1 : rot 180:sc= -0.163 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 29:sc= -0.664 USER MOD Single : A 134 LYS NZ :NH3+ -146:sc= -0.324 (180deg=-1.21!) USER MOD ----------------------------------------------------------------- ATOM 915 N PHE A 65 10.805 -4.498 3.005 1.00 0.00 N ATOM 916 CA PHE A 65 10.147 -3.404 3.709 1.00 0.00 C ATOM 917 C PHE A 65 9.626 -3.865 5.066 1.00 0.00 C ATOM 918 O PHE A 65 9.701 -5.048 5.403 1.00 0.00 O ATOM 919 CB PHE A 65 8.994 -2.850 2.870 1.00 0.00 C ATOM 920 CG PHE A 65 9.410 -2.410 1.495 1.00 0.00 C ATOM 921 CD1 PHE A 65 9.416 -3.308 0.439 1.00 0.00 C ATOM 922 CD2 PHE A 65 9.795 -1.101 1.259 1.00 0.00 C ATOM 923 CE1 PHE A 65 9.798 -2.906 -0.828 1.00 0.00 C ATOM 924 CE2 PHE A 65 10.179 -0.694 -0.005 1.00 0.00 C ATOM 925 CZ PHE A 65 10.179 -1.597 -1.050 1.00 0.00 C ATOM 0 HA PHE A 65 10.882 -2.616 3.870 1.00 0.00 H new ATOM 0 HB2 PHE A 65 8.221 -3.613 2.780 1.00 0.00 H new ATOM 0 HB3 PHE A 65 8.548 -2.005 3.394 1.00 0.00 H new ATOM 0 HD1 PHE A 65 9.119 -4.333 0.607 1.00 0.00 H new ATOM 0 HD2 PHE A 65 9.795 -0.390 2.072 1.00 0.00 H new ATOM 0 HE1 PHE A 65 9.798 -3.615 -1.643 1.00 0.00 H new ATOM 0 HE2 PHE A 65 10.479 0.329 -0.175 1.00 0.00 H new ATOM 0 HZ PHE A 65 10.476 -1.280 -2.039 1.00 0.00 H new ATOM 935 N ARG A 66 9.098 -2.925 5.842 1.00 0.00 N ATOM 936 CA ARG A 66 8.564 -3.234 7.163 1.00 0.00 C ATOM 937 C ARG A 66 7.322 -2.398 7.456 1.00 0.00 C ATOM 938 O ARG A 66 7.167 -1.295 6.934 1.00 0.00 O ATOM 939 CB ARG A 66 9.627 -2.986 8.237 1.00 0.00 C ATOM 940 CG ARG A 66 9.682 -4.073 9.301 1.00 0.00 C ATOM 941 CD ARG A 66 9.157 -3.575 10.638 1.00 0.00 C ATOM 942 NE ARG A 66 7.791 -4.026 10.893 1.00 0.00 N ATOM 943 CZ ARG A 66 7.471 -5.277 11.218 1.00 0.00 C ATOM 944 NH1 ARG A 66 8.416 -6.202 11.328 1.00 0.00 N ATOM 945 NH2 ARG A 66 6.205 -5.602 11.434 1.00 0.00 N ATOM 0 H ARG A 66 9.028 -1.942 5.579 1.00 0.00 H new ATOM 0 HA ARG A 66 8.283 -4.287 7.177 1.00 0.00 H new ATOM 0 HB2 ARG A 66 10.603 -2.907 7.759 1.00 0.00 H new ATOM 0 HB3 ARG A 66 9.429 -2.028 8.718 1.00 0.00 H new ATOM 0 HG2 ARG A 66 9.094 -4.931 8.976 1.00 0.00 H new ATOM 0 HG3 ARG A 66 10.710 -4.416 9.418 1.00 0.00 H new ATOM 0 HD2 ARG A 66 9.810 -3.926 11.437 1.00 0.00 H new ATOM 0 HD3 ARG A 66 9.188 -2.486 10.657 1.00 0.00 H new ATOM 0 HE ARG A 66 7.038 -3.342 10.818 1.00 0.00 H new ATOM 0 HH11 ARG A 66 9.392 -5.956 11.163 1.00 0.00 H new ATOM 0 HH12 ARG A 66 8.166 -7.159 11.577 1.00 0.00 H new ATOM 0 HH21 ARG A 66 5.475 -4.894 11.351 1.00 0.00 H new ATOM 0 HH22 ARG A 66 5.960 -6.560 11.683 1.00 0.00 H new ATOM 959 N VAL A 67 6.441 -2.931 8.296 1.00 0.00 N ATOM 960 CA VAL A 67 5.213 -2.233 8.659 1.00 0.00 C ATOM 961 C VAL A 67 5.512 -0.995 9.496 1.00 0.00 C ATOM 962 O VAL A 67 5.970 -1.099 10.634 1.00 0.00 O ATOM 963 CB VAL A 67 4.255 -3.150 9.443 1.00 0.00 C ATOM 964 CG1 VAL A 67 2.908 -2.474 9.638 1.00 0.00 C ATOM 965 CG2 VAL A 67 4.092 -4.484 8.731 1.00 0.00 C ATOM 0 H VAL A 67 6.554 -3.843 8.738 1.00 0.00 H new ATOM 0 HA VAL A 67 4.734 -1.932 7.727 1.00 0.00 H new ATOM 0 HB VAL A 67 4.686 -3.339 10.426 1.00 0.00 H new ATOM 0 HG11 VAL A 67 2.245 -3.137 10.194 1.00 0.00 H new ATOM 0 HG12 VAL A 67 3.043 -1.547 10.195 1.00 0.00 H new ATOM 0 HG13 VAL A 67 2.468 -2.253 8.666 1.00 0.00 H new ATOM 0 HG21 VAL A 67 3.412 -5.119 9.299 1.00 0.00 H new ATOM 0 HG22 VAL A 67 3.685 -4.317 7.734 1.00 0.00 H new ATOM 0 HG23 VAL A 67 5.062 -4.974 8.649 1.00 0.00 H new ATOM 975 N GLY A 68 5.252 0.176 8.925 1.00 0.00 N ATOM 976 CA GLY A 68 5.500 1.418 9.633 1.00 0.00 C ATOM 977 C GLY A 68 6.733 2.139 9.125 1.00 0.00 C ATOM 978 O GLY A 68 7.591 2.543 9.909 1.00 0.00 O ATOM 0 H GLY A 68 4.874 0.287 7.984 1.00 0.00 H new ATOM 0 HA2 GLY A 68 4.633 2.071 9.530 1.00 0.00 H new ATOM 0 HA3 GLY A 68 5.617 1.209 10.696 1.00 0.00 H new ATOM 982 N GLU A 69 6.821 2.298 7.809 1.00 0.00 N ATOM 983 CA GLU A 69 7.959 2.976 7.196 1.00 0.00 C ATOM 984 C GLU A 69 7.500 3.915 6.086 1.00 0.00 C ATOM 985 O GLU A 69 6.508 3.650 5.406 1.00 0.00 O ATOM 986 CB GLU A 69 8.948 1.950 6.636 1.00 0.00 C ATOM 987 CG GLU A 69 9.758 1.238 7.707 1.00 0.00 C ATOM 988 CD GLU A 69 11.253 1.381 7.501 1.00 0.00 C ATOM 989 OE1 GLU A 69 11.684 1.494 6.334 1.00 0.00 O ATOM 990 OE2 GLU A 69 11.994 1.381 8.508 1.00 0.00 O ATOM 0 H GLU A 69 6.119 1.967 7.146 1.00 0.00 H new ATOM 0 HA GLU A 69 8.455 3.568 7.965 1.00 0.00 H new ATOM 0 HB2 GLU A 69 8.400 1.209 6.054 1.00 0.00 H new ATOM 0 HB3 GLU A 69 9.630 2.452 5.950 1.00 0.00 H new ATOM 0 HG2 GLU A 69 9.490 1.638 8.685 1.00 0.00 H new ATOM 0 HG3 GLU A 69 9.496 0.180 7.712 1.00 0.00 H new ATOM 997 N ARG A 70 8.228 5.012 5.908 1.00 0.00 N ATOM 998 CA ARG A 70 7.896 5.992 4.880 1.00 0.00 C ATOM 999 C ARG A 70 8.380 5.527 3.511 1.00 0.00 C ATOM 1000 O ARG A 70 9.583 5.401 3.278 1.00 0.00 O ATOM 1001 CB ARG A 70 8.514 7.348 5.220 1.00 0.00 C ATOM 1002 CG ARG A 70 7.951 8.498 4.399 1.00 0.00 C ATOM 1003 CD ARG A 70 6.934 9.304 5.193 1.00 0.00 C ATOM 1004 NE ARG A 70 6.913 10.708 4.787 1.00 0.00 N ATOM 1005 CZ ARG A 70 7.862 11.586 5.104 1.00 0.00 C ATOM 1006 NH1 ARG A 70 8.909 11.210 5.829 1.00 0.00 N ATOM 1007 NH2 ARG A 70 7.766 12.843 4.694 1.00 0.00 N ATOM 0 H ARG A 70 9.052 5.245 6.462 1.00 0.00 H new ATOM 0 HA ARG A 70 6.811 6.095 4.846 1.00 0.00 H new ATOM 0 HB2 ARG A 70 8.354 7.556 6.278 1.00 0.00 H new ATOM 0 HB3 ARG A 70 9.592 7.296 5.065 1.00 0.00 H new ATOM 0 HG2 ARG A 70 8.764 9.150 4.079 1.00 0.00 H new ATOM 0 HG3 ARG A 70 7.482 8.107 3.496 1.00 0.00 H new ATOM 0 HD2 ARG A 70 5.943 8.872 5.057 1.00 0.00 H new ATOM 0 HD3 ARG A 70 7.168 9.237 6.256 1.00 0.00 H new ATOM 0 HE ARG A 70 6.125 11.034 4.228 1.00 0.00 H new ATOM 0 HH11 ARG A 70 8.989 10.244 6.146 1.00 0.00 H new ATOM 0 HH12 ARG A 70 9.633 11.887 6.069 1.00 0.00 H new ATOM 0 HH21 ARG A 70 6.965 13.138 4.136 1.00 0.00 H new ATOM 0 HH22 ARG A 70 8.493 13.516 4.937 1.00 0.00 H new ATOM 1021 N VAL A 71 7.438 5.273 2.608 1.00 0.00 N ATOM 1022 CA VAL A 71 7.771 4.821 1.263 1.00 0.00 C ATOM 1023 C VAL A 71 7.053 5.656 0.208 1.00 0.00 C ATOM 1024 O VAL A 71 6.005 6.244 0.475 1.00 0.00 O ATOM 1025 CB VAL A 71 7.409 3.338 1.062 1.00 0.00 C ATOM 1026 CG1 VAL A 71 8.412 2.443 1.772 1.00 0.00 C ATOM 1027 CG2 VAL A 71 5.996 3.061 1.551 1.00 0.00 C ATOM 0 H VAL A 71 6.438 5.373 2.784 1.00 0.00 H new ATOM 0 HA VAL A 71 8.848 4.943 1.147 1.00 0.00 H new ATOM 0 HB VAL A 71 7.449 3.115 -0.004 1.00 0.00 H new ATOM 0 HG11 VAL A 71 8.140 1.399 1.619 1.00 0.00 H new ATOM 0 HG12 VAL A 71 9.409 2.621 1.368 1.00 0.00 H new ATOM 0 HG13 VAL A 71 8.408 2.666 2.839 1.00 0.00 H new ATOM 0 HG21 VAL A 71 5.759 2.008 1.400 1.00 0.00 H new ATOM 0 HG22 VAL A 71 5.925 3.301 2.612 1.00 0.00 H new ATOM 0 HG23 VAL A 71 5.290 3.675 0.992 1.00 0.00 H new ATOM 1037 N TRP A 72 7.624 5.702 -0.992 1.00 0.00 N ATOM 1038 CA TRP A 72 7.040 6.464 -2.089 1.00 0.00 C ATOM 1039 C TRP A 72 6.552 5.538 -3.197 1.00 0.00 C ATOM 1040 O TRP A 72 7.350 5.001 -3.966 1.00 0.00 O ATOM 1041 CB TRP A 72 8.063 7.452 -2.653 1.00 0.00 C ATOM 1042 CG TRP A 72 8.059 8.778 -1.957 1.00 0.00 C ATOM 1043 CD1 TRP A 72 7.695 9.981 -2.489 1.00 0.00 C ATOM 1044 CD2 TRP A 72 8.442 9.037 -0.601 1.00 0.00 C ATOM 1045 NE1 TRP A 72 7.827 10.972 -1.546 1.00 0.00 N ATOM 1046 CE2 TRP A 72 8.283 10.418 -0.379 1.00 0.00 C ATOM 1047 CE3 TRP A 72 8.900 8.234 0.446 1.00 0.00 C ATOM 1048 CZ2 TRP A 72 8.569 11.012 0.848 1.00 0.00 C ATOM 1049 CZ3 TRP A 72 9.183 8.825 1.663 1.00 0.00 C ATOM 1050 CH2 TRP A 72 9.016 10.202 1.855 1.00 0.00 C ATOM 0 H TRP A 72 8.491 5.220 -1.229 1.00 0.00 H new ATOM 0 HA TRP A 72 6.186 7.016 -1.698 1.00 0.00 H new ATOM 0 HB2 TRP A 72 9.058 7.014 -2.578 1.00 0.00 H new ATOM 0 HB3 TRP A 72 7.861 7.606 -3.713 1.00 0.00 H new ATOM 0 HD1 TRP A 72 7.353 10.132 -3.502 1.00 0.00 H new ATOM 0 HE1 TRP A 72 7.619 11.960 -1.691 1.00 0.00 H new ATOM 0 HE3 TRP A 72 9.031 7.171 0.307 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 8.442 12.074 0.999 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 9.539 8.214 2.480 1.00 0.00 H new ATOM 0 HH2 TRP A 72 9.245 10.633 2.818 1.00 0.00 H new ATOM 1061 N VAL A 73 5.238 5.356 -3.279 1.00 0.00 N ATOM 1062 CA VAL A 73 4.651 4.496 -4.299 1.00 0.00 C ATOM 1063 C VAL A 73 4.790 5.125 -5.681 1.00 0.00 C ATOM 1064 O VAL A 73 4.537 6.317 -5.861 1.00 0.00 O ATOM 1065 CB VAL A 73 3.161 4.216 -4.020 1.00 0.00 C ATOM 1066 CG1 VAL A 73 2.649 3.099 -4.916 1.00 0.00 C ATOM 1067 CG2 VAL A 73 2.946 3.873 -2.553 1.00 0.00 C ATOM 0 H VAL A 73 4.561 5.792 -2.653 1.00 0.00 H new ATOM 0 HA VAL A 73 5.195 3.552 -4.270 1.00 0.00 H new ATOM 0 HB VAL A 73 2.594 5.119 -4.245 1.00 0.00 H new ATOM 0 HG11 VAL A 73 1.596 2.916 -4.704 1.00 0.00 H new ATOM 0 HG12 VAL A 73 2.764 3.389 -5.960 1.00 0.00 H new ATOM 0 HG13 VAL A 73 3.220 2.190 -4.727 1.00 0.00 H new ATOM 0 HG21 VAL A 73 1.888 3.679 -2.376 1.00 0.00 H new ATOM 0 HG22 VAL A 73 3.526 2.986 -2.298 1.00 0.00 H new ATOM 0 HG23 VAL A 73 3.270 4.709 -1.933 1.00 0.00 H new ATOM 1077 N ASN A 74 5.202 4.321 -6.655 1.00 0.00 N ATOM 1078 CA ASN A 74 5.382 4.806 -8.020 1.00 0.00 C ATOM 1079 C ASN A 74 6.472 5.875 -8.082 1.00 0.00 C ATOM 1080 O ASN A 74 6.557 6.631 -9.050 1.00 0.00 O ATOM 1081 CB ASN A 74 4.064 5.366 -8.563 1.00 0.00 C ATOM 1082 CG ASN A 74 3.432 4.456 -9.599 1.00 0.00 C ATOM 1083 OD1 ASN A 74 3.021 4.905 -10.668 1.00 0.00 O ATOM 1084 ND2 ASN A 74 3.353 3.168 -9.284 1.00 0.00 N ATOM 0 H ASN A 74 5.417 3.332 -6.526 1.00 0.00 H new ATOM 0 HA ASN A 74 5.692 3.965 -8.640 1.00 0.00 H new ATOM 0 HB2 ASN A 74 3.367 5.512 -7.738 1.00 0.00 H new ATOM 0 HB3 ASN A 74 4.244 6.346 -9.005 1.00 0.00 H new ATOM 0 HD21 ASN A 74 2.938 2.507 -9.941 1.00 0.00 H new ATOM 0 HD22 ASN A 74 3.707 2.840 -8.385 1.00 0.00 H new ATOM 1091 N GLY A 75 7.305 5.932 -7.045 1.00 0.00 N ATOM 1092 CA GLY A 75 8.378 6.909 -7.006 1.00 0.00 C ATOM 1093 C GLY A 75 7.873 8.338 -6.955 1.00 0.00 C ATOM 1094 O GLY A 75 8.502 9.243 -7.505 1.00 0.00 O ATOM 0 H GLY A 75 7.255 5.319 -6.232 1.00 0.00 H new ATOM 0 HA2 GLY A 75 9.004 6.719 -6.134 1.00 0.00 H new ATOM 0 HA3 GLY A 75 9.009 6.783 -7.886 1.00 0.00 H new ATOM 1098 N ASN A 76 6.737 8.547 -6.293 1.00 0.00 N ATOM 1099 CA ASN A 76 6.159 9.882 -6.176 1.00 0.00 C ATOM 1100 C ASN A 76 4.856 9.854 -5.382 1.00 0.00 C ATOM 1101 O ASN A 76 3.906 10.568 -5.704 1.00 0.00 O ATOM 1102 CB ASN A 76 5.906 10.476 -7.565 1.00 0.00 C ATOM 1103 CG ASN A 76 5.083 9.558 -8.445 1.00 0.00 C ATOM 1104 OD1 ASN A 76 5.608 8.914 -9.353 1.00 0.00 O ATOM 1105 ND2 ASN A 76 3.782 9.494 -8.182 1.00 0.00 N ATOM 0 H ASN A 76 6.201 7.812 -5.832 1.00 0.00 H new ATOM 0 HA ASN A 76 6.873 10.507 -5.641 1.00 0.00 H new ATOM 0 HB2 ASN A 76 5.392 11.431 -7.460 1.00 0.00 H new ATOM 0 HB3 ASN A 76 6.861 10.679 -8.050 1.00 0.00 H new ATOM 0 HD21 ASN A 76 3.177 8.894 -8.743 1.00 0.00 H new ATOM 0 HD22 ASN A 76 3.388 10.045 -7.419 1.00 0.00 H new ATOM 1112 N LYS A 77 4.816 9.028 -4.341 1.00 0.00 N ATOM 1113 CA LYS A 77 3.627 8.913 -3.503 1.00 0.00 C ATOM 1114 C LYS A 77 4.001 8.527 -2.073 1.00 0.00 C ATOM 1115 O LYS A 77 3.989 7.349 -1.719 1.00 0.00 O ATOM 1116 CB LYS A 77 2.664 7.875 -4.082 1.00 0.00 C ATOM 1117 CG LYS A 77 2.045 8.286 -5.410 1.00 0.00 C ATOM 1118 CD LYS A 77 1.334 7.120 -6.080 1.00 0.00 C ATOM 1119 CE LYS A 77 -0.174 7.321 -6.098 1.00 0.00 C ATOM 1120 NZ LYS A 77 -0.877 6.189 -6.764 1.00 0.00 N ATOM 0 H LYS A 77 5.592 8.429 -4.058 1.00 0.00 H new ATOM 0 HA LYS A 77 3.136 9.886 -3.484 1.00 0.00 H new ATOM 0 HB2 LYS A 77 3.197 6.934 -4.216 1.00 0.00 H new ATOM 0 HB3 LYS A 77 1.867 7.691 -3.362 1.00 0.00 H new ATOM 0 HG2 LYS A 77 1.338 9.099 -5.246 1.00 0.00 H new ATOM 0 HG3 LYS A 77 2.822 8.668 -6.072 1.00 0.00 H new ATOM 0 HD2 LYS A 77 1.699 7.008 -7.101 1.00 0.00 H new ATOM 0 HD3 LYS A 77 1.572 6.196 -5.553 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -0.539 7.424 -5.076 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -0.410 8.250 -6.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -1.905 6.339 -6.711 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -0.586 6.138 -7.761 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -0.632 5.299 -6.286 1.00 0.00 H new ATOM 1134 N PRO A 78 4.337 9.519 -1.229 1.00 0.00 N ATOM 1135 CA PRO A 78 4.712 9.272 0.167 1.00 0.00 C ATOM 1136 C PRO A 78 3.585 8.623 0.963 1.00 0.00 C ATOM 1137 O PRO A 78 2.417 8.984 0.812 1.00 0.00 O ATOM 1138 CB PRO A 78 5.019 10.670 0.717 1.00 0.00 C ATOM 1139 CG PRO A 78 4.343 11.613 -0.217 1.00 0.00 C ATOM 1140 CD PRO A 78 4.376 10.952 -1.564 1.00 0.00 C ATOM 0 HA PRO A 78 5.551 8.581 0.242 1.00 0.00 H new ATOM 0 HB2 PRO A 78 4.643 10.785 1.734 1.00 0.00 H new ATOM 0 HB3 PRO A 78 6.093 10.852 0.752 1.00 0.00 H new ATOM 0 HG2 PRO A 78 3.318 11.807 0.098 1.00 0.00 H new ATOM 0 HG3 PRO A 78 4.856 12.574 -0.241 1.00 0.00 H new ATOM 0 HD2 PRO A 78 3.526 11.246 -2.179 1.00 0.00 H new ATOM 0 HD3 PRO A 78 5.277 11.212 -2.120 1.00 0.00 H new ATOM 1148 N GLY A 79 3.941 7.663 1.809 1.00 0.00 N ATOM 1149 CA GLY A 79 2.948 6.978 2.614 1.00 0.00 C ATOM 1150 C GLY A 79 3.572 6.100 3.682 1.00 0.00 C ATOM 1151 O GLY A 79 4.792 6.085 3.848 1.00 0.00 O ATOM 0 H GLY A 79 4.900 7.347 1.952 1.00 0.00 H new ATOM 0 HA2 GLY A 79 2.298 7.714 3.087 1.00 0.00 H new ATOM 0 HA3 GLY A 79 2.319 6.366 1.967 1.00 0.00 H new ATOM 1155 N PHE A 80 2.734 5.366 4.407 1.00 0.00 N ATOM 1156 CA PHE A 80 3.209 4.481 5.463 1.00 0.00 C ATOM 1157 C PHE A 80 2.667 3.069 5.275 1.00 0.00 C ATOM 1158 O PHE A 80 1.458 2.868 5.145 1.00 0.00 O ATOM 1159 CB PHE A 80 2.796 5.021 6.833 1.00 0.00 C ATOM 1160 CG PHE A 80 3.390 6.363 7.154 1.00 0.00 C ATOM 1161 CD1 PHE A 80 4.719 6.474 7.530 1.00 0.00 C ATOM 1162 CD2 PHE A 80 2.621 7.512 7.078 1.00 0.00 C ATOM 1163 CE1 PHE A 80 5.270 7.707 7.825 1.00 0.00 C ATOM 1164 CE2 PHE A 80 3.164 8.748 7.373 1.00 0.00 C ATOM 1165 CZ PHE A 80 4.490 8.846 7.746 1.00 0.00 C ATOM 0 H PHE A 80 1.722 5.367 4.282 1.00 0.00 H new ATOM 0 HA PHE A 80 4.297 4.442 5.408 1.00 0.00 H new ATOM 0 HB2 PHE A 80 1.709 5.095 6.873 1.00 0.00 H new ATOM 0 HB3 PHE A 80 3.095 4.307 7.601 1.00 0.00 H new ATOM 0 HD1 PHE A 80 5.332 5.587 7.593 1.00 0.00 H new ATOM 0 HD2 PHE A 80 1.584 7.441 6.785 1.00 0.00 H new ATOM 0 HE1 PHE A 80 6.307 7.781 8.117 1.00 0.00 H new ATOM 0 HE2 PHE A 80 2.552 9.636 7.312 1.00 0.00 H new ATOM 0 HZ PHE A 80 4.917 9.811 7.976 1.00 0.00 H new ATOM 1175 N ILE A 81 3.567 2.091 5.260 1.00 0.00 N ATOM 1176 CA ILE A 81 3.180 0.697 5.085 1.00 0.00 C ATOM 1177 C ILE A 81 2.447 0.172 6.315 1.00 0.00 C ATOM 1178 O ILE A 81 2.863 0.415 7.448 1.00 0.00 O ATOM 1179 CB ILE A 81 4.405 -0.197 4.810 1.00 0.00 C ATOM 1180 CG1 ILE A 81 5.251 0.390 3.678 1.00 0.00 C ATOM 1181 CG2 ILE A 81 3.965 -1.614 4.470 1.00 0.00 C ATOM 1182 CD1 ILE A 81 6.741 0.306 3.930 1.00 0.00 C ATOM 0 H ILE A 81 4.570 2.239 5.367 1.00 0.00 H new ATOM 0 HA ILE A 81 2.513 0.660 4.224 1.00 0.00 H new ATOM 0 HB ILE A 81 5.016 -0.235 5.712 1.00 0.00 H new ATOM 0 HG12 ILE A 81 5.017 -0.134 2.751 1.00 0.00 H new ATOM 0 HG13 ILE A 81 4.974 1.434 3.532 1.00 0.00 H new ATOM 0 HG21 ILE A 81 4.843 -2.231 4.279 1.00 0.00 H new ATOM 0 HG22 ILE A 81 3.403 -2.031 5.306 1.00 0.00 H new ATOM 0 HG23 ILE A 81 3.334 -1.596 3.582 1.00 0.00 H new ATOM 0 HD11 ILE A 81 7.278 0.741 3.087 1.00 0.00 H new ATOM 0 HD12 ILE A 81 6.988 0.855 4.839 1.00 0.00 H new ATOM 0 HD13 ILE A 81 7.032 -0.738 4.046 1.00 0.00 H new ATOM 1194 N GLN A 82 1.354 -0.549 6.085 1.00 0.00 N ATOM 1195 CA GLN A 82 0.563 -1.108 7.174 1.00 0.00 C ATOM 1196 C GLN A 82 0.421 -2.619 7.025 1.00 0.00 C ATOM 1197 O GLN A 82 0.558 -3.365 7.995 1.00 0.00 O ATOM 1198 CB GLN A 82 -0.822 -0.457 7.214 1.00 0.00 C ATOM 1199 CG GLN A 82 -0.784 1.041 7.468 1.00 0.00 C ATOM 1200 CD GLN A 82 -0.531 1.379 8.924 1.00 0.00 C ATOM 1201 OE1 GLN A 82 -1.467 1.562 9.702 1.00 0.00 O ATOM 1202 NE2 GLN A 82 0.740 1.462 9.300 1.00 0.00 N ATOM 0 H GLN A 82 0.996 -0.760 5.153 1.00 0.00 H new ATOM 0 HA GLN A 82 1.083 -0.900 8.109 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -1.329 -0.644 6.267 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -1.416 -0.934 7.993 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -0.004 1.490 6.854 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -1.730 1.483 7.155 1.00 0.00 H new ATOM 0 HE21 GLN A 82 1.484 1.302 8.621 1.00 0.00 H new ATOM 0 HE22 GLN A 82 0.972 1.685 10.268 1.00 0.00 H new ATOM 1211 N PHE A 83 0.146 -3.065 5.803 1.00 0.00 N ATOM 1212 CA PHE A 83 -0.014 -4.488 5.526 1.00 0.00 C ATOM 1213 C PHE A 83 1.123 -5.006 4.650 1.00 0.00 C ATOM 1214 O PHE A 83 1.628 -4.290 3.785 1.00 0.00 O ATOM 1215 CB PHE A 83 -1.358 -4.747 4.844 1.00 0.00 C ATOM 1216 CG PHE A 83 -1.807 -6.178 4.926 1.00 0.00 C ATOM 1217 CD1 PHE A 83 -2.412 -6.662 6.075 1.00 0.00 C ATOM 1218 CD2 PHE A 83 -1.625 -7.039 3.856 1.00 0.00 C ATOM 1219 CE1 PHE A 83 -2.827 -7.977 6.154 1.00 0.00 C ATOM 1220 CE2 PHE A 83 -2.038 -8.356 3.930 1.00 0.00 C ATOM 1221 CZ PHE A 83 -2.640 -8.826 5.080 1.00 0.00 C ATOM 0 H PHE A 83 0.029 -2.461 4.989 1.00 0.00 H new ATOM 0 HA PHE A 83 0.014 -5.022 6.476 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -2.116 -4.110 5.300 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -1.286 -4.457 3.796 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -2.561 -6.004 6.918 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -1.155 -6.677 2.954 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -3.298 -8.342 7.055 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -1.890 -9.017 3.089 1.00 0.00 H new ATOM 0 HZ PHE A 83 -2.964 -9.855 5.140 1.00 0.00 H new ATOM 1231 N LEU A 84 1.520 -6.253 4.880 1.00 0.00 N ATOM 1232 CA LEU A 84 2.596 -6.867 4.111 1.00 0.00 C ATOM 1233 C LEU A 84 2.420 -8.381 4.042 1.00 0.00 C ATOM 1234 O LEU A 84 2.517 -9.074 5.055 1.00 0.00 O ATOM 1235 CB LEU A 84 3.953 -6.526 4.731 1.00 0.00 C ATOM 1236 CG LEU A 84 4.610 -5.254 4.191 1.00 0.00 C ATOM 1237 CD1 LEU A 84 5.665 -4.746 5.160 1.00 0.00 C ATOM 1238 CD2 LEU A 84 5.221 -5.512 2.821 1.00 0.00 C ATOM 0 H LEU A 84 1.113 -6.858 5.593 1.00 0.00 H new ATOM 0 HA LEU A 84 2.558 -6.469 3.097 1.00 0.00 H new ATOM 0 HB2 LEU A 84 3.827 -6.422 5.809 1.00 0.00 H new ATOM 0 HB3 LEU A 84 4.631 -7.364 4.568 1.00 0.00 H new ATOM 0 HG LEU A 84 3.843 -4.487 4.087 1.00 0.00 H new ATOM 0 HD11 LEU A 84 6.121 -3.841 4.759 1.00 0.00 H new ATOM 0 HD12 LEU A 84 5.200 -4.523 6.120 1.00 0.00 H new ATOM 0 HD13 LEU A 84 6.431 -5.509 5.296 1.00 0.00 H new ATOM 0 HD21 LEU A 84 5.684 -4.597 2.451 1.00 0.00 H new ATOM 0 HD22 LEU A 84 5.976 -6.294 2.901 1.00 0.00 H new ATOM 0 HD23 LEU A 84 4.441 -5.829 2.129 1.00 0.00 H new ATOM 1250 N GLY A 85 2.161 -8.887 2.841 1.00 0.00 N ATOM 1251 CA GLY A 85 1.975 -10.315 2.662 1.00 0.00 C ATOM 1252 C GLY A 85 1.122 -10.641 1.451 1.00 0.00 C ATOM 1253 O GLY A 85 1.202 -9.963 0.427 1.00 0.00 O ATOM 0 H GLY A 85 2.077 -8.334 1.988 1.00 0.00 H new ATOM 0 HA2 GLY A 85 2.948 -10.795 2.557 1.00 0.00 H new ATOM 0 HA3 GLY A 85 1.508 -10.732 3.554 1.00 0.00 H new ATOM 1257 N GLU A 86 0.305 -11.681 1.569 1.00 0.00 N ATOM 1258 CA GLU A 86 -0.567 -12.095 0.476 1.00 0.00 C ATOM 1259 C GLU A 86 -1.870 -11.301 0.489 1.00 0.00 C ATOM 1260 O GLU A 86 -2.071 -10.434 1.339 1.00 0.00 O ATOM 1261 CB GLU A 86 -0.868 -13.592 0.575 1.00 0.00 C ATOM 1262 CG GLU A 86 0.337 -14.475 0.301 1.00 0.00 C ATOM 1263 CD GLU A 86 -0.026 -15.944 0.208 1.00 0.00 C ATOM 1264 OE1 GLU A 86 -0.767 -16.430 1.089 1.00 0.00 O ATOM 1265 OE2 GLU A 86 0.431 -16.610 -0.745 1.00 0.00 O ATOM 0 H GLU A 86 0.228 -12.253 2.410 1.00 0.00 H new ATOM 0 HA GLU A 86 -0.050 -11.896 -0.463 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -1.250 -13.812 1.572 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -1.659 -13.842 -0.132 1.00 0.00 H new ATOM 0 HG2 GLU A 86 0.808 -14.161 -0.630 1.00 0.00 H new ATOM 0 HG3 GLU A 86 1.073 -14.336 1.093 1.00 0.00 H new ATOM 1272 N THR A 87 -2.750 -11.603 -0.460 1.00 0.00 N ATOM 1273 CA THR A 87 -4.032 -10.917 -0.558 1.00 0.00 C ATOM 1274 C THR A 87 -5.170 -11.917 -0.737 1.00 0.00 C ATOM 1275 O THR A 87 -4.954 -13.128 -0.718 1.00 0.00 O ATOM 1276 CB THR A 87 -4.019 -9.927 -1.724 1.00 0.00 C ATOM 1277 OG1 THR A 87 -3.144 -10.370 -2.746 1.00 0.00 O ATOM 1278 CG2 THR A 87 -3.585 -8.535 -1.321 1.00 0.00 C ATOM 0 H THR A 87 -2.598 -12.318 -1.172 1.00 0.00 H new ATOM 0 HA THR A 87 -4.195 -10.370 0.370 1.00 0.00 H new ATOM 0 HB THR A 87 -5.049 -9.881 -2.077 1.00 0.00 H new ATOM 0 HG1 THR A 87 -3.254 -11.335 -2.876 1.00 0.00 H new ATOM 0 HG21 THR A 87 -3.598 -7.883 -2.194 1.00 0.00 H new ATOM 0 HG22 THR A 87 -4.268 -8.145 -0.567 1.00 0.00 H new ATOM 0 HG23 THR A 87 -2.576 -8.573 -0.911 1.00 0.00 H new ATOM 1286 N GLN A 88 -6.383 -11.402 -0.912 1.00 0.00 N ATOM 1287 CA GLN A 88 -7.555 -12.250 -1.095 1.00 0.00 C ATOM 1288 C GLN A 88 -7.992 -12.268 -2.557 1.00 0.00 C ATOM 1289 O GLN A 88 -8.533 -13.263 -3.039 1.00 0.00 O ATOM 1290 CB GLN A 88 -8.705 -11.763 -0.210 1.00 0.00 C ATOM 1291 CG GLN A 88 -8.785 -12.475 1.129 1.00 0.00 C ATOM 1292 CD GLN A 88 -7.506 -12.349 1.935 1.00 0.00 C ATOM 1293 OE1 GLN A 88 -6.672 -11.486 1.664 1.00 0.00 O ATOM 1294 NE2 GLN A 88 -7.346 -13.214 2.929 1.00 0.00 N ATOM 0 H GLN A 88 -6.580 -10.401 -0.931 1.00 0.00 H new ATOM 0 HA GLN A 88 -7.287 -13.266 -0.804 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -8.591 -10.693 -0.037 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -9.646 -11.901 -0.742 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -9.615 -12.065 1.705 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -9.003 -13.530 0.963 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -8.065 -13.913 3.117 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -6.505 -13.180 3.504 1.00 0.00 H new ATOM 1303 N PHE A 89 -7.755 -11.162 -3.255 1.00 0.00 N ATOM 1304 CA PHE A 89 -8.126 -11.053 -4.661 1.00 0.00 C ATOM 1305 C PHE A 89 -6.962 -11.449 -5.564 1.00 0.00 C ATOM 1306 O PHE A 89 -7.164 -11.986 -6.653 1.00 0.00 O ATOM 1307 CB PHE A 89 -8.574 -9.626 -4.983 1.00 0.00 C ATOM 1308 CG PHE A 89 -7.541 -8.586 -4.658 1.00 0.00 C ATOM 1309 CD1 PHE A 89 -6.599 -8.208 -5.601 1.00 0.00 C ATOM 1310 CD2 PHE A 89 -7.513 -7.984 -3.410 1.00 0.00 C ATOM 1311 CE1 PHE A 89 -5.647 -7.250 -5.306 1.00 0.00 C ATOM 1312 CE2 PHE A 89 -6.564 -7.025 -3.108 1.00 0.00 C ATOM 1313 CZ PHE A 89 -5.630 -6.659 -4.058 1.00 0.00 C ATOM 0 H PHE A 89 -7.308 -10.330 -2.870 1.00 0.00 H new ATOM 0 HA PHE A 89 -8.954 -11.737 -4.846 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -8.822 -9.562 -6.043 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -9.486 -9.406 -4.428 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -6.609 -8.667 -6.578 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -8.241 -8.267 -2.664 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -4.918 -6.964 -6.050 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -6.553 -6.563 -2.132 1.00 0.00 H new ATOM 0 HZ PHE A 89 -4.887 -5.911 -3.825 1.00 0.00 H new ATOM 1323 N ALA A 90 -5.744 -11.179 -5.105 1.00 0.00 N ATOM 1324 CA ALA A 90 -4.548 -11.508 -5.873 1.00 0.00 C ATOM 1325 C ALA A 90 -3.728 -12.591 -5.178 1.00 0.00 C ATOM 1326 O ALA A 90 -3.610 -12.599 -3.952 1.00 0.00 O ATOM 1327 CB ALA A 90 -3.704 -10.261 -6.091 1.00 0.00 C ATOM 0 H ALA A 90 -5.559 -10.734 -4.206 1.00 0.00 H new ATOM 0 HA ALA A 90 -4.863 -11.895 -6.842 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -2.814 -10.520 -6.665 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -4.286 -9.519 -6.638 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -3.406 -9.850 -5.126 1.00 0.00 H new ATOM 1333 N PRO A 91 -3.145 -13.524 -5.952 1.00 0.00 N ATOM 1334 CA PRO A 91 -2.334 -14.612 -5.401 1.00 0.00 C ATOM 1335 C PRO A 91 -0.947 -14.142 -4.975 1.00 0.00 C ATOM 1336 O PRO A 91 -0.446 -14.530 -3.919 1.00 0.00 O ATOM 1337 CB PRO A 91 -2.229 -15.592 -6.567 1.00 0.00 C ATOM 1338 CG PRO A 91 -2.321 -14.736 -7.783 1.00 0.00 C ATOM 1339 CD PRO A 91 -3.232 -13.593 -7.425 1.00 0.00 C ATOM 0 HA PRO A 91 -2.778 -15.040 -4.502 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -1.289 -16.143 -6.539 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -3.031 -16.330 -6.539 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -1.337 -14.372 -8.078 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -2.718 -15.300 -8.627 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -2.908 -12.662 -7.889 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -4.254 -13.776 -7.758 1.00 0.00 H new ATOM 1347 N GLY A 92 -0.331 -13.304 -5.803 1.00 0.00 N ATOM 1348 CA GLY A 92 0.992 -12.796 -5.496 1.00 0.00 C ATOM 1349 C GLY A 92 1.035 -12.045 -4.179 1.00 0.00 C ATOM 1350 O GLY A 92 0.131 -12.173 -3.354 1.00 0.00 O ATOM 0 H GLY A 92 -0.726 -12.968 -6.682 1.00 0.00 H new ATOM 0 HA2 GLY A 92 1.697 -13.626 -5.460 1.00 0.00 H new ATOM 0 HA3 GLY A 92 1.319 -12.135 -6.298 1.00 0.00 H new ATOM 1354 N GLN A 93 2.091 -11.261 -3.982 1.00 0.00 N ATOM 1355 CA GLN A 93 2.250 -10.488 -2.756 1.00 0.00 C ATOM 1356 C GLN A 93 1.897 -9.022 -2.987 1.00 0.00 C ATOM 1357 O GLN A 93 1.940 -8.533 -4.115 1.00 0.00 O ATOM 1358 CB GLN A 93 3.684 -10.605 -2.237 1.00 0.00 C ATOM 1359 CG GLN A 93 4.091 -12.026 -1.888 1.00 0.00 C ATOM 1360 CD GLN A 93 5.182 -12.079 -0.837 1.00 0.00 C ATOM 1361 OE1 GLN A 93 6.269 -12.603 -1.078 1.00 0.00 O ATOM 1362 NE2 GLN A 93 4.896 -11.534 0.340 1.00 0.00 N ATOM 0 H GLN A 93 2.848 -11.145 -4.655 1.00 0.00 H new ATOM 0 HA GLN A 93 1.567 -10.893 -2.009 1.00 0.00 H new ATOM 0 HB2 GLN A 93 4.367 -10.215 -2.991 1.00 0.00 H new ATOM 0 HB3 GLN A 93 3.794 -9.977 -1.353 1.00 0.00 H new ATOM 0 HG2 GLN A 93 3.219 -12.572 -1.529 1.00 0.00 H new ATOM 0 HG3 GLN A 93 4.435 -12.533 -2.789 1.00 0.00 H new ATOM 0 HE21 GLN A 93 3.982 -11.110 0.497 1.00 0.00 H new ATOM 0 HE22 GLN A 93 5.591 -11.539 1.087 1.00 0.00 H new ATOM 1371 N TRP A 94 1.550 -8.327 -1.909 1.00 0.00 N ATOM 1372 CA TRP A 94 1.191 -6.916 -1.991 1.00 0.00 C ATOM 1373 C TRP A 94 1.514 -6.196 -0.686 1.00 0.00 C ATOM 1374 O TRP A 94 1.564 -6.813 0.378 1.00 0.00 O ATOM 1375 CB TRP A 94 -0.296 -6.764 -2.315 1.00 0.00 C ATOM 1376 CG TRP A 94 -0.655 -7.230 -3.694 1.00 0.00 C ATOM 1377 CD1 TRP A 94 -0.843 -8.520 -4.101 1.00 0.00 C ATOM 1378 CD2 TRP A 94 -0.868 -6.409 -4.848 1.00 0.00 C ATOM 1379 NE1 TRP A 94 -1.160 -8.551 -5.437 1.00 0.00 N ATOM 1380 CE2 TRP A 94 -1.182 -7.269 -5.919 1.00 0.00 C ATOM 1381 CE3 TRP A 94 -0.825 -5.032 -5.082 1.00 0.00 C ATOM 1382 CZ2 TRP A 94 -1.451 -6.794 -7.200 1.00 0.00 C ATOM 1383 CZ3 TRP A 94 -1.092 -4.562 -6.355 1.00 0.00 C ATOM 1384 CH2 TRP A 94 -1.402 -5.442 -7.399 1.00 0.00 C ATOM 0 H TRP A 94 1.510 -8.718 -0.968 1.00 0.00 H new ATOM 0 HA TRP A 94 1.778 -6.464 -2.790 1.00 0.00 H new ATOM 0 HB2 TRP A 94 -0.879 -7.327 -1.586 1.00 0.00 H new ATOM 0 HB3 TRP A 94 -0.578 -5.717 -2.208 1.00 0.00 H new ATOM 0 HD1 TRP A 94 -0.755 -9.389 -3.465 1.00 0.00 H new ATOM 0 HE1 TRP A 94 -1.349 -9.392 -5.982 1.00 0.00 H new ATOM 0 HE3 TRP A 94 -0.587 -4.346 -4.282 1.00 0.00 H new ATOM 0 HZ2 TRP A 94 -1.690 -7.470 -8.008 1.00 0.00 H new ATOM 0 HZ3 TRP A 94 -1.061 -3.500 -6.547 1.00 0.00 H new ATOM 0 HH2 TRP A 94 -1.607 -5.045 -8.382 1.00 0.00 H new ATOM 1395 N ALA A 95 1.731 -4.888 -0.774 1.00 0.00 N ATOM 1396 CA ALA A 95 2.049 -4.086 0.401 1.00 0.00 C ATOM 1397 C ALA A 95 1.153 -2.855 0.484 1.00 0.00 C ATOM 1398 O ALA A 95 1.191 -1.988 -0.388 1.00 0.00 O ATOM 1399 CB ALA A 95 3.513 -3.674 0.378 1.00 0.00 C ATOM 0 H ALA A 95 1.692 -4.361 -1.647 1.00 0.00 H new ATOM 0 HA ALA A 95 1.868 -4.696 1.286 1.00 0.00 H new ATOM 0 HB1 ALA A 95 3.737 -3.076 1.261 1.00 0.00 H new ATOM 0 HB2 ALA A 95 4.142 -4.564 0.374 1.00 0.00 H new ATOM 0 HB3 ALA A 95 3.712 -3.086 -0.518 1.00 0.00 H new ATOM 1405 N GLY A 96 0.348 -2.786 1.539 1.00 0.00 N ATOM 1406 CA GLY A 96 -0.547 -1.658 1.717 1.00 0.00 C ATOM 1407 C GLY A 96 0.143 -0.465 2.350 1.00 0.00 C ATOM 1408 O GLY A 96 0.838 -0.605 3.356 1.00 0.00 O ATOM 0 H GLY A 96 0.300 -3.491 2.274 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -0.956 -1.366 0.750 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -1.388 -1.960 2.341 1.00 0.00 H new ATOM 1412 N ILE A 97 -0.049 0.709 1.759 1.00 0.00 N ATOM 1413 CA ILE A 97 0.560 1.931 2.272 1.00 0.00 C ATOM 1414 C ILE A 97 -0.486 3.022 2.477 1.00 0.00 C ATOM 1415 O ILE A 97 -1.469 3.100 1.740 1.00 0.00 O ATOM 1416 CB ILE A 97 1.653 2.458 1.322 1.00 0.00 C ATOM 1417 CG1 ILE A 97 2.597 1.324 0.911 1.00 0.00 C ATOM 1418 CG2 ILE A 97 2.426 3.590 1.981 1.00 0.00 C ATOM 1419 CD1 ILE A 97 2.505 0.963 -0.556 1.00 0.00 C ATOM 0 H ILE A 97 -0.621 0.841 0.925 1.00 0.00 H new ATOM 0 HA ILE A 97 1.013 1.679 3.231 1.00 0.00 H new ATOM 0 HB ILE A 97 1.175 2.847 0.423 1.00 0.00 H new ATOM 0 HG12 ILE A 97 3.622 1.614 1.142 1.00 0.00 H new ATOM 0 HG13 ILE A 97 2.373 0.441 1.509 1.00 0.00 H new ATOM 0 HG21 ILE A 97 3.194 3.952 1.298 1.00 0.00 H new ATOM 0 HG22 ILE A 97 1.743 4.404 2.223 1.00 0.00 H new ATOM 0 HG23 ILE A 97 2.895 3.226 2.895 1.00 0.00 H new ATOM 0 HD11 ILE A 97 3.201 0.153 -0.776 1.00 0.00 H new ATOM 0 HD12 ILE A 97 1.490 0.642 -0.789 1.00 0.00 H new ATOM 0 HD13 ILE A 97 2.758 1.833 -1.161 1.00 0.00 H new ATOM 1431 N VAL A 98 -0.268 3.861 3.484 1.00 0.00 N ATOM 1432 CA VAL A 98 -1.190 4.948 3.786 1.00 0.00 C ATOM 1433 C VAL A 98 -0.600 6.296 3.383 1.00 0.00 C ATOM 1434 O VAL A 98 0.262 6.838 4.074 1.00 0.00 O ATOM 1435 CB VAL A 98 -1.548 4.984 5.285 1.00 0.00 C ATOM 1436 CG1 VAL A 98 -2.628 6.020 5.554 1.00 0.00 C ATOM 1437 CG2 VAL A 98 -1.989 3.608 5.763 1.00 0.00 C ATOM 0 H VAL A 98 0.540 3.808 4.105 1.00 0.00 H new ATOM 0 HA VAL A 98 -2.096 4.763 3.209 1.00 0.00 H new ATOM 0 HB VAL A 98 -0.657 5.270 5.844 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -2.866 6.030 6.618 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -2.270 7.005 5.253 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -3.523 5.769 4.984 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -2.237 3.654 6.823 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -2.865 3.290 5.198 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -1.180 2.893 5.610 1.00 0.00 H new ATOM 1447 N LEU A 99 -1.069 6.829 2.260 1.00 0.00 N ATOM 1448 CA LEU A 99 -0.587 8.113 1.765 1.00 0.00 C ATOM 1449 C LEU A 99 -1.047 9.252 2.670 1.00 0.00 C ATOM 1450 O LEU A 99 -2.085 9.158 3.323 1.00 0.00 O ATOM 1451 CB LEU A 99 -1.080 8.350 0.336 1.00 0.00 C ATOM 1452 CG LEU A 99 -0.889 7.170 -0.618 1.00 0.00 C ATOM 1453 CD1 LEU A 99 -1.525 7.467 -1.967 1.00 0.00 C ATOM 1454 CD2 LEU A 99 0.590 6.853 -0.782 1.00 0.00 C ATOM 0 H LEU A 99 -1.782 6.392 1.676 1.00 0.00 H new ATOM 0 HA LEU A 99 0.503 8.089 1.766 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -2.140 8.602 0.371 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -0.560 9.216 -0.073 1.00 0.00 H new ATOM 0 HG LEU A 99 -1.383 6.297 -0.191 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -1.379 6.617 -2.633 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -2.592 7.646 -1.835 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -1.060 8.352 -2.402 1.00 0.00 H new ATOM 0 HD21 LEU A 99 0.708 6.011 -1.464 1.00 0.00 H new ATOM 0 HD22 LEU A 99 1.106 7.723 -1.187 1.00 0.00 H new ATOM 0 HD23 LEU A 99 1.017 6.597 0.188 1.00 0.00 H new ATOM 1466 N ASP A 100 -0.266 10.327 2.703 1.00 0.00 N ATOM 1467 CA ASP A 100 -0.594 11.484 3.527 1.00 0.00 C ATOM 1468 C ASP A 100 -1.267 12.574 2.698 1.00 0.00 C ATOM 1469 O ASP A 100 -1.165 13.759 3.013 1.00 0.00 O ATOM 1470 CB ASP A 100 0.669 12.038 4.188 1.00 0.00 C ATOM 1471 CG ASP A 100 0.366 12.807 5.460 1.00 0.00 C ATOM 1472 OD1 ASP A 100 0.052 12.162 6.482 1.00 0.00 O ATOM 1473 OD2 ASP A 100 0.443 14.053 5.433 1.00 0.00 O ATOM 0 H ASP A 100 0.598 10.421 2.169 1.00 0.00 H new ATOM 0 HA ASP A 100 -1.291 11.161 4.300 1.00 0.00 H new ATOM 0 HB2 ASP A 100 1.347 11.216 4.417 1.00 0.00 H new ATOM 0 HB3 ASP A 100 1.186 12.692 3.486 1.00 0.00 H new ATOM 1478 N GLU A 101 -1.955 12.165 1.637 1.00 0.00 N ATOM 1479 CA GLU A 101 -2.645 13.107 0.763 1.00 0.00 C ATOM 1480 C GLU A 101 -3.791 12.423 0.022 1.00 0.00 C ATOM 1481 O GLU A 101 -3.711 11.237 -0.297 1.00 0.00 O ATOM 1482 CB GLU A 101 -1.664 13.714 -0.243 1.00 0.00 C ATOM 1483 CG GLU A 101 -0.622 14.619 0.393 1.00 0.00 C ATOM 1484 CD GLU A 101 0.319 15.229 -0.628 1.00 0.00 C ATOM 1485 OE1 GLU A 101 -0.129 15.502 -1.761 1.00 0.00 O ATOM 1486 OE2 GLU A 101 1.506 15.433 -0.294 1.00 0.00 O ATOM 0 H GLU A 101 -2.050 11.187 1.362 1.00 0.00 H new ATOM 0 HA GLU A 101 -3.059 13.902 1.383 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -1.157 12.909 -0.775 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -2.224 14.284 -0.985 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -1.124 15.416 0.941 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -0.044 14.048 1.119 1.00 0.00 H new ATOM 1493 N PRO A 102 -4.879 13.163 -0.262 1.00 0.00 N ATOM 1494 CA PRO A 102 -6.045 12.619 -0.969 1.00 0.00 C ATOM 1495 C PRO A 102 -5.721 12.243 -2.412 1.00 0.00 C ATOM 1496 O PRO A 102 -6.247 12.835 -3.355 1.00 0.00 O ATOM 1497 CB PRO A 102 -7.070 13.764 -0.931 1.00 0.00 C ATOM 1498 CG PRO A 102 -6.558 14.723 0.091 1.00 0.00 C ATOM 1499 CD PRO A 102 -5.066 14.580 0.083 1.00 0.00 C ATOM 0 HA PRO A 102 -6.404 11.701 -0.505 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -7.161 14.242 -1.907 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -8.060 13.396 -0.662 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -6.853 15.744 -0.150 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -6.966 14.498 1.076 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -4.600 15.240 -0.649 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -4.631 14.822 1.053 1.00 0.00 H new ATOM 1507 N ILE A 103 -4.850 11.253 -2.581 1.00 0.00 N ATOM 1508 CA ILE A 103 -4.457 10.799 -3.909 1.00 0.00 C ATOM 1509 C ILE A 103 -4.382 9.277 -3.971 1.00 0.00 C ATOM 1510 O ILE A 103 -3.629 8.715 -4.767 1.00 0.00 O ATOM 1511 CB ILE A 103 -3.094 11.386 -4.322 1.00 0.00 C ATOM 1512 CG1 ILE A 103 -2.029 11.049 -3.277 1.00 0.00 C ATOM 1513 CG2 ILE A 103 -3.200 12.892 -4.511 1.00 0.00 C ATOM 1514 CD1 ILE A 103 -0.624 11.402 -3.711 1.00 0.00 C ATOM 0 H ILE A 103 -4.403 10.750 -1.814 1.00 0.00 H new ATOM 0 HA ILE A 103 -5.221 11.150 -4.602 1.00 0.00 H new ATOM 0 HB ILE A 103 -2.798 10.940 -5.271 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -2.259 11.578 -2.352 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -2.075 9.983 -3.054 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -2.229 13.291 -4.803 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -3.931 13.110 -5.290 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -3.517 13.355 -3.576 1.00 0.00 H new ATOM 0 HD11 ILE A 103 0.078 11.136 -2.921 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -0.375 10.853 -4.619 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -0.562 12.473 -3.906 1.00 0.00 H new ATOM 1526 N GLY A 104 -5.168 8.613 -3.128 1.00 0.00 N ATOM 1527 CA GLY A 104 -5.174 7.163 -3.108 1.00 0.00 C ATOM 1528 C GLY A 104 -6.271 6.577 -3.972 1.00 0.00 C ATOM 1529 O GLY A 104 -6.982 7.305 -4.665 1.00 0.00 O ATOM 0 H GLY A 104 -5.800 9.054 -2.460 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -4.208 6.794 -3.453 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -5.300 6.817 -2.082 1.00 0.00 H new ATOM 1533 N LYS A 105 -6.408 5.256 -3.934 1.00 0.00 N ATOM 1534 CA LYS A 105 -7.425 4.570 -4.722 1.00 0.00 C ATOM 1535 C LYS A 105 -8.355 3.756 -3.827 1.00 0.00 C ATOM 1536 O LYS A 105 -9.559 3.679 -4.075 1.00 0.00 O ATOM 1537 CB LYS A 105 -6.765 3.657 -5.755 1.00 0.00 C ATOM 1538 CG LYS A 105 -5.626 4.318 -6.513 1.00 0.00 C ATOM 1539 CD LYS A 105 -6.143 5.205 -7.635 1.00 0.00 C ATOM 1540 CE LYS A 105 -5.238 5.145 -8.854 1.00 0.00 C ATOM 1541 NZ LYS A 105 -5.337 3.837 -9.557 1.00 0.00 N ATOM 0 H LYS A 105 -5.827 4.639 -3.366 1.00 0.00 H new ATOM 0 HA LYS A 105 -8.019 5.325 -5.238 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -6.387 2.767 -5.252 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -7.519 3.324 -6.468 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -5.027 4.913 -5.824 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -4.970 3.552 -6.926 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -7.150 4.893 -7.912 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -6.214 6.234 -7.283 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -5.503 5.948 -9.542 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -4.206 5.315 -8.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -4.976 3.936 -10.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -4.773 3.126 -9.049 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -6.331 3.533 -9.587 1.00 0.00 H new ATOM 1555 N ASN A 106 -7.792 3.150 -2.787 1.00 0.00 N ATOM 1556 CA ASN A 106 -8.573 2.342 -1.856 1.00 0.00 C ATOM 1557 C ASN A 106 -8.455 2.880 -0.434 1.00 0.00 C ATOM 1558 O ASN A 106 -7.725 3.839 -0.181 1.00 0.00 O ATOM 1559 CB ASN A 106 -8.116 0.880 -1.899 1.00 0.00 C ATOM 1560 CG ASN A 106 -6.614 0.741 -2.054 1.00 0.00 C ATOM 1561 OD1 ASN A 106 -5.887 0.601 -1.070 1.00 0.00 O ATOM 1562 ND2 ASN A 106 -6.140 0.783 -3.294 1.00 0.00 N ATOM 0 H ASN A 106 -6.797 3.203 -2.567 1.00 0.00 H new ATOM 0 HA ASN A 106 -9.618 2.397 -2.162 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -8.431 0.378 -0.984 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -8.611 0.373 -2.727 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -5.137 0.698 -3.460 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -6.779 0.900 -4.080 1.00 0.00 H new ATOM 1569 N ASP A 107 -9.179 2.257 0.490 1.00 0.00 N ATOM 1570 CA ASP A 107 -9.156 2.672 1.889 1.00 0.00 C ATOM 1571 C ASP A 107 -8.576 1.573 2.773 1.00 0.00 C ATOM 1572 O ASP A 107 -9.035 1.358 3.895 1.00 0.00 O ATOM 1573 CB ASP A 107 -10.568 3.029 2.360 1.00 0.00 C ATOM 1574 CG ASP A 107 -11.217 4.090 1.492 1.00 0.00 C ATOM 1575 OD1 ASP A 107 -10.718 4.331 0.374 1.00 0.00 O ATOM 1576 OD2 ASP A 107 -12.227 4.679 1.932 1.00 0.00 O ATOM 0 H ASP A 107 -9.789 1.463 0.296 1.00 0.00 H new ATOM 0 HA ASP A 107 -8.519 3.553 1.970 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -11.187 2.132 2.356 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -10.526 3.382 3.390 1.00 0.00 H new ATOM 1581 N GLY A 108 -7.563 0.881 2.261 1.00 0.00 N ATOM 1582 CA GLY A 108 -6.937 -0.186 3.018 1.00 0.00 C ATOM 1583 C GLY A 108 -7.815 -1.419 3.119 1.00 0.00 C ATOM 1584 O GLY A 108 -7.722 -2.177 4.084 1.00 0.00 O ATOM 0 H GLY A 108 -7.165 1.041 1.336 1.00 0.00 H new ATOM 0 HA2 GLY A 108 -5.991 -0.455 2.547 1.00 0.00 H new ATOM 0 HA3 GLY A 108 -6.703 0.173 4.020 1.00 0.00 H new ATOM 1588 N SER A 109 -8.668 -1.619 2.120 1.00 0.00 N ATOM 1589 CA SER A 109 -9.566 -2.768 2.101 1.00 0.00 C ATOM 1590 C SER A 109 -9.965 -3.123 0.672 1.00 0.00 C ATOM 1591 O SER A 109 -10.031 -2.254 -0.198 1.00 0.00 O ATOM 1592 CB SER A 109 -10.815 -2.479 2.934 1.00 0.00 C ATOM 1593 OG SER A 109 -11.236 -3.634 3.641 1.00 0.00 O ATOM 0 H SER A 109 -8.756 -1.001 1.313 1.00 0.00 H new ATOM 0 HA SER A 109 -9.038 -3.618 2.534 1.00 0.00 H new ATOM 0 HB2 SER A 109 -10.608 -1.673 3.638 1.00 0.00 H new ATOM 0 HB3 SER A 109 -11.618 -2.134 2.283 1.00 0.00 H new ATOM 0 HG SER A 109 -12.035 -3.422 4.167 1.00 0.00 H new ATOM 1599 N VAL A 110 -10.230 -4.403 0.437 1.00 0.00 N ATOM 1600 CA VAL A 110 -10.622 -4.873 -0.886 1.00 0.00 C ATOM 1601 C VAL A 110 -11.497 -6.118 -0.791 1.00 0.00 C ATOM 1602 O VAL A 110 -11.117 -7.110 -0.171 1.00 0.00 O ATOM 1603 CB VAL A 110 -9.393 -5.190 -1.757 1.00 0.00 C ATOM 1604 CG1 VAL A 110 -9.813 -5.483 -3.189 1.00 0.00 C ATOM 1605 CG2 VAL A 110 -8.395 -4.043 -1.710 1.00 0.00 C ATOM 0 H VAL A 110 -10.180 -5.134 1.146 1.00 0.00 H new ATOM 0 HA VAL A 110 -11.190 -4.067 -1.351 1.00 0.00 H new ATOM 0 HB VAL A 110 -8.908 -6.080 -1.357 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -8.930 -5.705 -3.789 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -10.486 -6.340 -3.203 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -10.324 -4.614 -3.603 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -7.533 -4.285 -2.332 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -8.867 -3.134 -2.083 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -8.069 -3.887 -0.682 1.00 0.00 H new ATOM 1615 N ALA A 111 -12.673 -6.057 -1.410 1.00 0.00 N ATOM 1616 CA ALA A 111 -13.602 -7.180 -1.396 1.00 0.00 C ATOM 1617 C ALA A 111 -13.989 -7.555 0.030 1.00 0.00 C ATOM 1618 O ALA A 111 -14.026 -8.733 0.386 1.00 0.00 O ATOM 1619 CB ALA A 111 -12.994 -8.377 -2.113 1.00 0.00 C ATOM 0 H ALA A 111 -13.004 -5.242 -1.927 1.00 0.00 H new ATOM 0 HA ALA A 111 -14.507 -6.877 -1.922 1.00 0.00 H new ATOM 0 HB1 ALA A 111 -13.699 -9.208 -2.095 1.00 0.00 H new ATOM 0 HB2 ALA A 111 -12.775 -8.109 -3.147 1.00 0.00 H new ATOM 0 HB3 ALA A 111 -12.072 -8.672 -1.612 1.00 0.00 H new ATOM 1625 N GLY A 112 -14.280 -6.545 0.843 1.00 0.00 N ATOM 1626 CA GLY A 112 -14.660 -6.789 2.222 1.00 0.00 C ATOM 1627 C GLY A 112 -13.527 -7.373 3.044 1.00 0.00 C ATOM 1628 O GLY A 112 -13.762 -8.047 4.046 1.00 0.00 O ATOM 0 H GLY A 112 -14.259 -5.562 0.572 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -14.989 -5.854 2.675 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -15.510 -7.471 2.246 1.00 0.00 H new ATOM 1632 N VAL A 113 -12.294 -7.113 2.620 1.00 0.00 N ATOM 1633 CA VAL A 113 -11.122 -7.617 3.323 1.00 0.00 C ATOM 1634 C VAL A 113 -10.342 -6.479 3.972 1.00 0.00 C ATOM 1635 O VAL A 113 -9.578 -5.778 3.307 1.00 0.00 O ATOM 1636 CB VAL A 113 -10.185 -8.391 2.377 1.00 0.00 C ATOM 1637 CG1 VAL A 113 -9.084 -9.084 3.164 1.00 0.00 C ATOM 1638 CG2 VAL A 113 -10.973 -9.396 1.550 1.00 0.00 C ATOM 0 H VAL A 113 -12.082 -6.556 1.792 1.00 0.00 H new ATOM 0 HA VAL A 113 -11.485 -8.295 4.095 1.00 0.00 H new ATOM 0 HB VAL A 113 -9.719 -7.680 1.695 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -8.432 -9.626 2.478 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -8.501 -8.340 3.707 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -9.528 -9.784 3.872 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -10.295 -9.934 0.887 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -11.469 -10.104 2.214 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -11.721 -8.871 0.955 1.00 0.00 H new ATOM 1648 N ARG A 114 -10.540 -6.298 5.274 1.00 0.00 N ATOM 1649 CA ARG A 114 -9.857 -5.244 6.012 1.00 0.00 C ATOM 1650 C ARG A 114 -8.419 -5.643 6.331 1.00 0.00 C ATOM 1651 O ARG A 114 -8.175 -6.480 7.200 1.00 0.00 O ATOM 1652 CB ARG A 114 -10.612 -4.929 7.306 1.00 0.00 C ATOM 1653 CG ARG A 114 -10.706 -3.441 7.610 1.00 0.00 C ATOM 1654 CD ARG A 114 -12.140 -3.012 7.882 1.00 0.00 C ATOM 1655 NE ARG A 114 -12.701 -2.243 6.773 1.00 0.00 N ATOM 1656 CZ ARG A 114 -14.006 -2.057 6.585 1.00 0.00 C ATOM 1657 NH1 ARG A 114 -14.886 -2.583 7.427 1.00 0.00 N ATOM 1658 NH2 ARG A 114 -14.431 -1.343 5.551 1.00 0.00 N ATOM 0 H ARG A 114 -11.169 -6.869 5.839 1.00 0.00 H new ATOM 0 HA ARG A 114 -9.834 -4.352 5.385 1.00 0.00 H new ATOM 0 HB2 ARG A 114 -11.619 -5.342 7.239 1.00 0.00 H new ATOM 0 HB3 ARG A 114 -10.116 -5.430 8.137 1.00 0.00 H new ATOM 0 HG2 ARG A 114 -10.086 -3.206 8.475 1.00 0.00 H new ATOM 0 HG3 ARG A 114 -10.309 -2.872 6.769 1.00 0.00 H new ATOM 0 HD2 ARG A 114 -12.755 -3.894 8.059 1.00 0.00 H new ATOM 0 HD3 ARG A 114 -12.173 -2.413 8.792 1.00 0.00 H new ATOM 0 HE ARG A 114 -12.055 -1.824 6.104 1.00 0.00 H new ATOM 0 HH11 ARG A 114 -14.564 -3.133 8.223 1.00 0.00 H new ATOM 0 HH12 ARG A 114 -15.884 -2.437 7.278 1.00 0.00 H new ATOM 0 HH21 ARG A 114 -13.758 -0.937 4.901 1.00 0.00 H new ATOM 0 HH22 ARG A 114 -15.431 -1.200 5.406 1.00 0.00 H new ATOM 1672 N TYR A 115 -7.472 -5.036 5.624 1.00 0.00 N ATOM 1673 CA TYR A 115 -6.057 -5.326 5.833 1.00 0.00 C ATOM 1674 C TYR A 115 -5.450 -4.357 6.841 1.00 0.00 C ATOM 1675 O TYR A 115 -4.759 -4.769 7.774 1.00 0.00 O ATOM 1676 CB TYR A 115 -5.296 -5.245 4.508 1.00 0.00 C ATOM 1677 CG TYR A 115 -5.876 -6.122 3.421 1.00 0.00 C ATOM 1678 CD1 TYR A 115 -6.922 -5.672 2.624 1.00 0.00 C ATOM 1679 CD2 TYR A 115 -5.378 -7.398 3.190 1.00 0.00 C ATOM 1680 CE1 TYR A 115 -7.456 -6.470 1.629 1.00 0.00 C ATOM 1681 CE2 TYR A 115 -5.905 -8.202 2.197 1.00 0.00 C ATOM 1682 CZ TYR A 115 -6.943 -7.733 1.420 1.00 0.00 C ATOM 1683 OH TYR A 115 -7.472 -8.530 0.430 1.00 0.00 O ATOM 0 H TYR A 115 -7.658 -4.340 4.901 1.00 0.00 H new ATOM 0 HA TYR A 115 -5.973 -6.338 6.230 1.00 0.00 H new ATOM 0 HB2 TYR A 115 -5.291 -4.211 4.164 1.00 0.00 H new ATOM 0 HB3 TYR A 115 -4.258 -5.530 4.677 1.00 0.00 H new ATOM 0 HD1 TYR A 115 -7.324 -4.683 2.785 1.00 0.00 H new ATOM 0 HD2 TYR A 115 -4.565 -7.768 3.797 1.00 0.00 H new ATOM 0 HE1 TYR A 115 -8.270 -6.106 1.019 1.00 0.00 H new ATOM 0 HE2 TYR A 115 -5.506 -9.192 2.031 1.00 0.00 H new ATOM 0 HH TYR A 115 -6.896 -8.493 -0.362 1.00 0.00 H new ATOM 1693 N PHE A 116 -5.711 -3.069 6.648 1.00 0.00 N ATOM 1694 CA PHE A 116 -5.192 -2.040 7.541 1.00 0.00 C ATOM 1695 C PHE A 116 -6.109 -0.821 7.559 1.00 0.00 C ATOM 1696 O PHE A 116 -6.379 -0.219 6.519 1.00 0.00 O ATOM 1697 CB PHE A 116 -3.783 -1.626 7.111 1.00 0.00 C ATOM 1698 CG PHE A 116 -3.730 -0.999 5.751 1.00 0.00 C ATOM 1699 CD1 PHE A 116 -3.641 -1.789 4.619 1.00 0.00 C ATOM 1700 CD2 PHE A 116 -3.764 0.377 5.606 1.00 0.00 C ATOM 1701 CE1 PHE A 116 -3.586 -1.219 3.364 1.00 0.00 C ATOM 1702 CE2 PHE A 116 -3.711 0.953 4.354 1.00 0.00 C ATOM 1703 CZ PHE A 116 -3.622 0.154 3.232 1.00 0.00 C ATOM 0 H PHE A 116 -6.280 -2.712 5.880 1.00 0.00 H new ATOM 0 HA PHE A 116 -5.151 -2.455 8.548 1.00 0.00 H new ATOM 0 HB2 PHE A 116 -3.381 -0.924 7.841 1.00 0.00 H new ATOM 0 HB3 PHE A 116 -3.136 -2.503 7.123 1.00 0.00 H new ATOM 0 HD1 PHE A 116 -3.614 -2.864 4.719 1.00 0.00 H new ATOM 0 HD2 PHE A 116 -3.833 1.006 6.482 1.00 0.00 H new ATOM 0 HE1 PHE A 116 -3.515 -1.846 2.487 1.00 0.00 H new ATOM 0 HE2 PHE A 116 -3.739 2.028 4.252 1.00 0.00 H new ATOM 0 HZ PHE A 116 -3.581 0.603 2.251 1.00 0.00 H new ATOM 1713 N GLN A 117 -6.588 -0.466 8.746 1.00 0.00 N ATOM 1714 CA GLN A 117 -7.476 0.680 8.900 1.00 0.00 C ATOM 1715 C GLN A 117 -6.768 1.976 8.518 1.00 0.00 C ATOM 1716 O GLN A 117 -5.680 2.269 9.013 1.00 0.00 O ATOM 1717 CB GLN A 117 -7.983 0.769 10.341 1.00 0.00 C ATOM 1718 CG GLN A 117 -9.327 1.465 10.471 1.00 0.00 C ATOM 1719 CD GLN A 117 -9.252 2.945 10.145 1.00 0.00 C ATOM 1720 OE1 GLN A 117 -9.804 3.326 8.999 1.00 0.00 O flip ATOM 1721 NE2 GLN A 117 -8.704 3.735 10.912 1.00 0.00 N flip ATOM 0 H GLN A 117 -6.376 -0.955 9.616 1.00 0.00 H new ATOM 0 HA GLN A 117 -8.325 0.541 8.230 1.00 0.00 H new ATOM 0 HB2 GLN A 117 -8.063 -0.237 10.752 1.00 0.00 H new ATOM 0 HB3 GLN A 117 -7.248 1.302 10.944 1.00 0.00 H new ATOM 0 HG2 GLN A 117 -10.046 0.986 9.806 1.00 0.00 H new ATOM 0 HG3 GLN A 117 -9.700 1.339 11.487 1.00 0.00 H new ATOM 0 HE21 GLN A 117 -8.293 3.398 11.783 1.00 0.00 H new ATOM 0 HE22 GLN A 117 -8.661 4.727 10.677 1.00 0.00 H new ATOM 1730 N CYS A 118 -7.392 2.747 7.633 1.00 0.00 N ATOM 1731 CA CYS A 118 -6.822 4.012 7.185 1.00 0.00 C ATOM 1732 C CYS A 118 -7.911 4.945 6.663 1.00 0.00 C ATOM 1733 O CYS A 118 -9.039 4.520 6.414 1.00 0.00 O ATOM 1734 CB CYS A 118 -5.777 3.767 6.095 1.00 0.00 C ATOM 1735 SG CYS A 118 -6.361 2.733 4.731 1.00 0.00 S ATOM 0 H CYS A 118 -8.292 2.518 7.212 1.00 0.00 H new ATOM 0 HA CYS A 118 -6.340 4.488 8.039 1.00 0.00 H new ATOM 0 HB2 CYS A 118 -5.453 4.728 5.695 1.00 0.00 H new ATOM 0 HB3 CYS A 118 -4.902 3.297 6.544 1.00 0.00 H new ATOM 0 HG CYS A 118 -5.486 1.803 4.486 1.00 0.00 H new ATOM 1741 N GLU A 119 -7.565 6.218 6.501 1.00 0.00 N ATOM 1742 CA GLU A 119 -8.513 7.210 6.009 1.00 0.00 C ATOM 1743 C GLU A 119 -8.757 7.039 4.512 1.00 0.00 C ATOM 1744 O GLU A 119 -7.891 6.555 3.784 1.00 0.00 O ATOM 1745 CB GLU A 119 -7.998 8.623 6.295 1.00 0.00 C ATOM 1746 CG GLU A 119 -8.299 9.106 7.704 1.00 0.00 C ATOM 1747 CD GLU A 119 -7.096 9.012 8.621 1.00 0.00 C ATOM 1748 OE1 GLU A 119 -6.879 7.930 9.206 1.00 0.00 O ATOM 1749 OE2 GLU A 119 -6.371 10.019 8.755 1.00 0.00 O ATOM 0 H GLU A 119 -6.636 6.586 6.703 1.00 0.00 H new ATOM 0 HA GLU A 119 -9.458 7.061 6.531 1.00 0.00 H new ATOM 0 HB2 GLU A 119 -6.920 8.648 6.134 1.00 0.00 H new ATOM 0 HB3 GLU A 119 -8.443 9.315 5.580 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -8.641 10.140 7.664 1.00 0.00 H new ATOM 0 HG3 GLU A 119 -9.115 8.516 8.120 1.00 0.00 H new ATOM 1756 N PRO A 120 -9.948 7.437 4.031 1.00 0.00 N ATOM 1757 CA PRO A 120 -10.304 7.325 2.612 1.00 0.00 C ATOM 1758 C PRO A 120 -9.316 8.054 1.708 1.00 0.00 C ATOM 1759 O PRO A 120 -8.767 9.090 2.079 1.00 0.00 O ATOM 1760 CB PRO A 120 -11.686 7.984 2.533 1.00 0.00 C ATOM 1761 CG PRO A 120 -12.226 7.913 3.919 1.00 0.00 C ATOM 1762 CD PRO A 120 -11.038 8.024 4.830 1.00 0.00 C ATOM 0 HA PRO A 120 -10.293 6.289 2.272 1.00 0.00 H new ATOM 0 HB2 PRO A 120 -11.612 9.016 2.190 1.00 0.00 H new ATOM 0 HB3 PRO A 120 -12.333 7.460 1.830 1.00 0.00 H new ATOM 0 HG2 PRO A 120 -12.936 8.719 4.103 1.00 0.00 H new ATOM 0 HG3 PRO A 120 -12.758 6.976 4.083 1.00 0.00 H new ATOM 0 HD2 PRO A 120 -10.830 9.060 5.096 1.00 0.00 H new ATOM 0 HD3 PRO A 120 -11.193 7.480 5.762 1.00 0.00 H new ATOM 1770 N LEU A 121 -9.097 7.504 0.517 1.00 0.00 N ATOM 1771 CA LEU A 121 -8.176 8.101 -0.444 1.00 0.00 C ATOM 1772 C LEU A 121 -6.772 8.215 0.142 1.00 0.00 C ATOM 1773 O LEU A 121 -6.039 9.159 -0.157 1.00 0.00 O ATOM 1774 CB LEU A 121 -8.677 9.482 -0.872 1.00 0.00 C ATOM 1775 CG LEU A 121 -10.179 9.568 -1.153 1.00 0.00 C ATOM 1776 CD1 LEU A 121 -10.619 11.020 -1.263 1.00 0.00 C ATOM 1777 CD2 LEU A 121 -10.527 8.805 -2.422 1.00 0.00 C ATOM 0 H LEU A 121 -9.545 6.646 0.195 1.00 0.00 H new ATOM 0 HA LEU A 121 -8.132 7.451 -1.318 1.00 0.00 H new ATOM 0 HB2 LEU A 121 -8.427 10.200 -0.091 1.00 0.00 H new ATOM 0 HB3 LEU A 121 -8.137 9.786 -1.769 1.00 0.00 H new ATOM 0 HG LEU A 121 -10.713 9.111 -0.320 1.00 0.00 H new ATOM 0 HD11 LEU A 121 -11.690 11.062 -1.463 1.00 0.00 H new ATOM 0 HD12 LEU A 121 -10.404 11.537 -0.328 1.00 0.00 H new ATOM 0 HD13 LEU A 121 -10.079 11.503 -2.077 1.00 0.00 H new ATOM 0 HD21 LEU A 121 -11.599 8.876 -2.607 1.00 0.00 H new ATOM 0 HD22 LEU A 121 -9.984 9.233 -3.265 1.00 0.00 H new ATOM 0 HD23 LEU A 121 -10.248 7.758 -2.305 1.00 0.00 H new ATOM 1789 N LYS A 122 -6.403 7.247 0.974 1.00 0.00 N ATOM 1790 CA LYS A 122 -5.086 7.238 1.598 1.00 0.00 C ATOM 1791 C LYS A 122 -4.417 5.877 1.429 1.00 0.00 C ATOM 1792 O LYS A 122 -3.242 5.792 1.076 1.00 0.00 O ATOM 1793 CB LYS A 122 -5.199 7.584 3.084 1.00 0.00 C ATOM 1794 CG LYS A 122 -6.013 8.840 3.354 1.00 0.00 C ATOM 1795 CD LYS A 122 -5.204 9.881 4.113 1.00 0.00 C ATOM 1796 CE LYS A 122 -5.437 11.279 3.562 1.00 0.00 C ATOM 1797 NZ LYS A 122 -5.231 12.328 4.598 1.00 0.00 N ATOM 0 H LYS A 122 -6.997 6.459 1.231 1.00 0.00 H new ATOM 0 HA LYS A 122 -4.471 7.991 1.105 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -5.654 6.745 3.611 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -4.198 7.714 3.496 1.00 0.00 H new ATOM 0 HG2 LYS A 122 -6.355 9.262 2.409 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -6.903 8.581 3.928 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -5.475 9.855 5.168 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -4.144 9.636 4.050 1.00 0.00 H new ATOM 0 HE2 LYS A 122 -4.760 11.457 2.726 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -6.452 11.350 3.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -5.400 13.266 4.181 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -5.894 12.174 5.384 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -4.255 12.278 4.954 1.00 0.00 H new ATOM 1811 N GLY A 123 -5.176 4.816 1.681 1.00 0.00 N ATOM 1812 CA GLY A 123 -4.642 3.474 1.548 1.00 0.00 C ATOM 1813 C GLY A 123 -4.493 3.056 0.099 1.00 0.00 C ATOM 1814 O GLY A 123 -5.308 3.423 -0.747 1.00 0.00 O ATOM 0 H GLY A 123 -6.152 4.862 1.975 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -3.671 3.421 2.041 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -5.299 2.771 2.061 1.00 0.00 H new ATOM 1818 N ILE A 124 -3.448 2.288 -0.189 1.00 0.00 N ATOM 1819 CA ILE A 124 -3.193 1.822 -1.546 1.00 0.00 C ATOM 1820 C ILE A 124 -2.396 0.520 -1.542 1.00 0.00 C ATOM 1821 O ILE A 124 -1.548 0.303 -0.678 1.00 0.00 O ATOM 1822 CB ILE A 124 -2.431 2.881 -2.366 1.00 0.00 C ATOM 1823 CG1 ILE A 124 -2.271 2.423 -3.817 1.00 0.00 C ATOM 1824 CG2 ILE A 124 -1.072 3.163 -1.740 1.00 0.00 C ATOM 1825 CD1 ILE A 124 -2.177 3.564 -4.805 1.00 0.00 C ATOM 0 H ILE A 124 -2.764 1.975 0.500 1.00 0.00 H new ATOM 0 HA ILE A 124 -4.164 1.644 -2.009 1.00 0.00 H new ATOM 0 HB ILE A 124 -3.010 3.804 -2.360 1.00 0.00 H new ATOM 0 HG12 ILE A 124 -1.375 1.808 -3.898 1.00 0.00 H new ATOM 0 HG13 ILE A 124 -3.117 1.790 -4.085 1.00 0.00 H new ATOM 0 HG21 ILE A 124 -0.547 3.913 -2.332 1.00 0.00 H new ATOM 0 HG22 ILE A 124 -1.209 3.533 -0.724 1.00 0.00 H new ATOM 0 HG23 ILE A 124 -0.485 2.245 -1.715 1.00 0.00 H new ATOM 0 HD11 ILE A 124 -2.065 3.164 -5.813 1.00 0.00 H new ATOM 0 HD12 ILE A 124 -3.084 4.167 -4.752 1.00 0.00 H new ATOM 0 HD13 ILE A 124 -1.314 4.185 -4.563 1.00 0.00 H new ATOM 1837 N PHE A 125 -2.676 -0.341 -2.516 1.00 0.00 N ATOM 1838 CA PHE A 125 -1.984 -1.621 -2.627 1.00 0.00 C ATOM 1839 C PHE A 125 -1.126 -1.664 -3.886 1.00 0.00 C ATOM 1840 O PHE A 125 -1.610 -1.403 -4.988 1.00 0.00 O ATOM 1841 CB PHE A 125 -2.992 -2.770 -2.642 1.00 0.00 C ATOM 1842 CG PHE A 125 -3.523 -3.125 -1.281 1.00 0.00 C ATOM 1843 CD1 PHE A 125 -4.544 -2.385 -0.707 1.00 0.00 C ATOM 1844 CD2 PHE A 125 -3.000 -4.197 -0.577 1.00 0.00 C ATOM 1845 CE1 PHE A 125 -5.033 -2.707 0.544 1.00 0.00 C ATOM 1846 CE2 PHE A 125 -3.485 -4.524 0.674 1.00 0.00 C ATOM 1847 CZ PHE A 125 -4.503 -3.780 1.236 1.00 0.00 C ATOM 0 H PHE A 125 -3.376 -0.176 -3.239 1.00 0.00 H new ATOM 0 HA PHE A 125 -1.333 -1.732 -1.760 1.00 0.00 H new ATOM 0 HB2 PHE A 125 -3.827 -2.501 -3.289 1.00 0.00 H new ATOM 0 HB3 PHE A 125 -2.520 -3.650 -3.079 1.00 0.00 H new ATOM 0 HD1 PHE A 125 -4.962 -1.547 -1.244 1.00 0.00 H new ATOM 0 HD2 PHE A 125 -2.204 -4.784 -1.011 1.00 0.00 H new ATOM 0 HE1 PHE A 125 -5.828 -2.121 0.981 1.00 0.00 H new ATOM 0 HE2 PHE A 125 -3.068 -5.362 1.213 1.00 0.00 H new ATOM 0 HZ PHE A 125 -4.884 -4.036 2.214 1.00 0.00 H new ATOM 1857 N THR A 126 0.149 -1.998 -3.718 1.00 0.00 N ATOM 1858 CA THR A 126 1.072 -2.076 -4.844 1.00 0.00 C ATOM 1859 C THR A 126 2.240 -3.005 -4.527 1.00 0.00 C ATOM 1860 O THR A 126 2.458 -3.373 -3.373 1.00 0.00 O ATOM 1861 CB THR A 126 1.596 -0.685 -5.200 1.00 0.00 C ATOM 1862 OG1 THR A 126 2.431 -0.741 -6.343 1.00 0.00 O ATOM 1863 CG2 THR A 126 2.389 -0.039 -4.085 1.00 0.00 C ATOM 0 H THR A 126 0.566 -2.219 -2.814 1.00 0.00 H new ATOM 0 HA THR A 126 0.529 -2.481 -5.698 1.00 0.00 H new ATOM 0 HB THR A 126 0.707 -0.082 -5.388 1.00 0.00 H new ATOM 0 HG1 THR A 126 2.755 0.159 -6.556 1.00 0.00 H new ATOM 0 HG21 THR A 126 2.731 0.945 -4.405 1.00 0.00 H new ATOM 0 HG22 THR A 126 1.758 0.065 -3.203 1.00 0.00 H new ATOM 0 HG23 THR A 126 3.251 -0.661 -3.843 1.00 0.00 H new ATOM 1871 N ARG A 127 2.987 -3.381 -5.560 1.00 0.00 N ATOM 1872 CA ARG A 127 4.133 -4.267 -5.392 1.00 0.00 C ATOM 1873 C ARG A 127 5.264 -3.556 -4.653 1.00 0.00 C ATOM 1874 O ARG A 127 5.545 -2.386 -4.913 1.00 0.00 O ATOM 1875 CB ARG A 127 4.627 -4.757 -6.755 1.00 0.00 C ATOM 1876 CG ARG A 127 5.483 -6.010 -6.679 1.00 0.00 C ATOM 1877 CD ARG A 127 4.681 -7.205 -6.186 1.00 0.00 C ATOM 1878 NE ARG A 127 5.482 -8.426 -6.153 1.00 0.00 N ATOM 1879 CZ ARG A 127 5.859 -9.097 -7.238 1.00 0.00 C ATOM 1880 NH1 ARG A 127 5.511 -8.667 -8.446 1.00 0.00 N ATOM 1881 NH2 ARG A 127 6.585 -10.199 -7.118 1.00 0.00 N ATOM 0 H ARG A 127 2.819 -3.086 -6.522 1.00 0.00 H new ATOM 0 HA ARG A 127 3.817 -5.124 -4.798 1.00 0.00 H new ATOM 0 HB2 ARG A 127 3.766 -4.954 -7.394 1.00 0.00 H new ATOM 0 HB3 ARG A 127 5.202 -3.963 -7.230 1.00 0.00 H new ATOM 0 HG2 ARG A 127 5.897 -6.229 -7.663 1.00 0.00 H new ATOM 0 HG3 ARG A 127 6.326 -5.836 -6.011 1.00 0.00 H new ATOM 0 HD2 ARG A 127 4.297 -6.997 -5.188 1.00 0.00 H new ATOM 0 HD3 ARG A 127 3.818 -7.355 -6.835 1.00 0.00 H new ATOM 0 HE ARG A 127 5.770 -8.786 -5.243 1.00 0.00 H new ATOM 0 HH11 ARG A 127 4.953 -7.819 -8.544 1.00 0.00 H new ATOM 0 HH12 ARG A 127 5.802 -9.185 -9.275 1.00 0.00 H new ATOM 0 HH21 ARG A 127 6.855 -10.533 -6.193 1.00 0.00 H new ATOM 0 HH22 ARG A 127 6.874 -10.713 -7.951 1.00 0.00 H new ATOM 1895 N PRO A 128 5.935 -4.252 -3.717 1.00 0.00 N ATOM 1896 CA PRO A 128 7.039 -3.672 -2.946 1.00 0.00 C ATOM 1897 C PRO A 128 8.120 -3.084 -3.844 1.00 0.00 C ATOM 1898 O PRO A 128 8.732 -2.067 -3.516 1.00 0.00 O ATOM 1899 CB PRO A 128 7.594 -4.860 -2.156 1.00 0.00 C ATOM 1900 CG PRO A 128 6.468 -5.830 -2.077 1.00 0.00 C ATOM 1901 CD PRO A 128 5.671 -5.653 -3.339 1.00 0.00 C ATOM 0 HA PRO A 128 6.704 -2.847 -2.317 1.00 0.00 H new ATOM 0 HB2 PRO A 128 8.458 -5.298 -2.656 1.00 0.00 H new ATOM 0 HB3 PRO A 128 7.922 -4.555 -1.162 1.00 0.00 H new ATOM 0 HG2 PRO A 128 6.839 -6.851 -1.992 1.00 0.00 H new ATOM 0 HG3 PRO A 128 5.852 -5.640 -1.198 1.00 0.00 H new ATOM 0 HD2 PRO A 128 5.991 -6.346 -4.117 1.00 0.00 H new ATOM 0 HD3 PRO A 128 4.609 -5.831 -3.171 1.00 0.00 H new ATOM 1909 N SER A 129 8.355 -3.735 -4.978 1.00 0.00 N ATOM 1910 CA SER A 129 9.365 -3.283 -5.926 1.00 0.00 C ATOM 1911 C SER A 129 9.060 -1.871 -6.422 1.00 0.00 C ATOM 1912 O SER A 129 9.968 -1.121 -6.781 1.00 0.00 O ATOM 1913 CB SER A 129 9.447 -4.245 -7.113 1.00 0.00 C ATOM 1914 OG SER A 129 10.789 -4.426 -7.532 1.00 0.00 O ATOM 0 H SER A 129 7.858 -4.579 -5.263 1.00 0.00 H new ATOM 0 HA SER A 129 10.326 -3.266 -5.411 1.00 0.00 H new ATOM 0 HB2 SER A 129 9.017 -5.207 -6.836 1.00 0.00 H new ATOM 0 HB3 SER A 129 8.854 -3.857 -7.941 1.00 0.00 H new ATOM 0 HG SER A 129 10.814 -5.046 -8.290 1.00 0.00 H new ATOM 1920 N LYS A 130 7.779 -1.517 -6.439 1.00 0.00 N ATOM 1921 CA LYS A 130 7.359 -0.197 -6.893 1.00 0.00 C ATOM 1922 C LYS A 130 7.658 0.864 -5.839 1.00 0.00 C ATOM 1923 O LYS A 130 7.895 2.028 -6.165 1.00 0.00 O ATOM 1924 CB LYS A 130 5.865 -0.198 -7.222 1.00 0.00 C ATOM 1925 CG LYS A 130 5.554 -0.666 -8.634 1.00 0.00 C ATOM 1926 CD LYS A 130 5.557 0.494 -9.618 1.00 0.00 C ATOM 1927 CE LYS A 130 6.203 0.104 -10.939 1.00 0.00 C ATOM 1928 NZ LYS A 130 7.584 0.647 -11.061 1.00 0.00 N ATOM 0 H LYS A 130 7.015 -2.125 -6.144 1.00 0.00 H new ATOM 0 HA LYS A 130 7.923 0.044 -7.794 1.00 0.00 H new ATOM 0 HB2 LYS A 130 5.345 -0.842 -6.512 1.00 0.00 H new ATOM 0 HB3 LYS A 130 5.471 0.809 -7.087 1.00 0.00 H new ATOM 0 HG2 LYS A 130 6.290 -1.409 -8.943 1.00 0.00 H new ATOM 0 HG3 LYS A 130 4.580 -1.156 -8.650 1.00 0.00 H new ATOM 0 HD2 LYS A 130 4.533 0.824 -9.796 1.00 0.00 H new ATOM 0 HD3 LYS A 130 6.093 1.338 -9.185 1.00 0.00 H new ATOM 0 HE2 LYS A 130 6.231 -0.982 -11.023 1.00 0.00 H new ATOM 0 HE3 LYS A 130 5.594 0.472 -11.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 130 7.991 0.360 -11.974 1.00 0.00 H new ATOM 0 HZ2 LYS A 130 7.555 1.685 -11.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 130 8.173 0.276 -10.288 1.00 0.00 H new ATOM 1942 N LEU A 131 7.647 0.456 -4.574 1.00 0.00 N ATOM 1943 CA LEU A 131 7.920 1.374 -3.474 1.00 0.00 C ATOM 1944 C LEU A 131 9.358 1.879 -3.534 1.00 0.00 C ATOM 1945 O LEU A 131 10.262 1.160 -3.959 1.00 0.00 O ATOM 1946 CB LEU A 131 7.665 0.686 -2.131 1.00 0.00 C ATOM 1947 CG LEU A 131 6.386 -0.151 -2.060 1.00 0.00 C ATOM 1948 CD1 LEU A 131 6.180 -0.694 -0.655 1.00 0.00 C ATOM 1949 CD2 LEU A 131 5.184 0.675 -2.495 1.00 0.00 C ATOM 0 H LEU A 131 7.452 -0.503 -4.286 1.00 0.00 H new ATOM 0 HA LEU A 131 7.248 2.227 -3.570 1.00 0.00 H new ATOM 0 HB2 LEU A 131 8.515 0.042 -1.904 1.00 0.00 H new ATOM 0 HB3 LEU A 131 7.625 1.448 -1.352 1.00 0.00 H new ATOM 0 HG LEU A 131 6.489 -0.995 -2.742 1.00 0.00 H new ATOM 0 HD11 LEU A 131 5.266 -1.286 -0.624 1.00 0.00 H new ATOM 0 HD12 LEU A 131 7.028 -1.321 -0.379 1.00 0.00 H new ATOM 0 HD13 LEU A 131 6.099 0.136 0.047 1.00 0.00 H new ATOM 0 HD21 LEU A 131 4.283 0.064 -2.438 1.00 0.00 H new ATOM 0 HD22 LEU A 131 5.079 1.538 -1.838 1.00 0.00 H new ATOM 0 HD23 LEU A 131 5.328 1.015 -3.521 1.00 0.00 H new ATOM 1961 N THR A 132 9.563 3.120 -3.106 1.00 0.00 N ATOM 1962 CA THR A 132 10.892 3.720 -3.112 1.00 0.00 C ATOM 1963 C THR A 132 11.076 4.652 -1.919 1.00 0.00 C ATOM 1964 O THR A 132 10.151 5.361 -1.523 1.00 0.00 O ATOM 1965 CB THR A 132 11.120 4.488 -4.415 1.00 0.00 C ATOM 1966 OG1 THR A 132 9.945 5.178 -4.802 1.00 0.00 O ATOM 1967 CG2 THR A 132 11.532 3.601 -5.569 1.00 0.00 C ATOM 0 H THR A 132 8.826 3.730 -2.751 1.00 0.00 H new ATOM 0 HA THR A 132 11.626 2.918 -3.037 1.00 0.00 H new ATOM 0 HB THR A 132 11.934 5.181 -4.203 1.00 0.00 H new ATOM 0 HG1 THR A 132 9.421 5.405 -4.005 1.00 0.00 H new ATOM 0 HG21 THR A 132 11.677 4.209 -6.462 1.00 0.00 H new ATOM 0 HG22 THR A 132 12.463 3.091 -5.322 1.00 0.00 H new ATOM 0 HG23 THR A 132 10.753 2.862 -5.756 1.00 0.00 H new ATOM 1975 N ARG A 133 12.277 4.646 -1.350 1.00 0.00 N ATOM 1976 CA ARG A 133 12.584 5.489 -0.201 1.00 0.00 C ATOM 1977 C ARG A 133 12.942 6.904 -0.645 1.00 0.00 C ATOM 1978 O ARG A 133 13.956 7.119 -1.310 1.00 0.00 O ATOM 1979 CB ARG A 133 13.736 4.888 0.606 1.00 0.00 C ATOM 1980 CG ARG A 133 13.415 3.526 1.200 1.00 0.00 C ATOM 1981 CD ARG A 133 12.692 3.652 2.532 1.00 0.00 C ATOM 1982 NE ARG A 133 13.455 3.056 3.628 1.00 0.00 N ATOM 1983 CZ ARG A 133 13.711 1.754 3.730 1.00 0.00 C ATOM 1984 NH1 ARG A 133 13.267 0.908 2.808 1.00 0.00 N ATOM 1985 NH2 ARG A 133 14.413 1.295 4.758 1.00 0.00 N ATOM 0 H ARG A 133 13.054 4.066 -1.666 1.00 0.00 H new ATOM 0 HA ARG A 133 11.696 5.539 0.429 1.00 0.00 H new ATOM 0 HB2 ARG A 133 14.611 4.798 -0.037 1.00 0.00 H new ATOM 0 HB3 ARG A 133 14.001 5.573 1.411 1.00 0.00 H new ATOM 0 HG2 ARG A 133 12.797 2.961 0.502 1.00 0.00 H new ATOM 0 HG3 ARG A 133 14.338 2.962 1.338 1.00 0.00 H new ATOM 0 HD2 ARG A 133 12.510 4.705 2.748 1.00 0.00 H new ATOM 0 HD3 ARG A 133 11.718 3.168 2.463 1.00 0.00 H new ATOM 0 HE ARG A 133 13.812 3.674 4.357 1.00 0.00 H new ATOM 0 HH11 ARG A 133 12.726 1.255 2.016 1.00 0.00 H new ATOM 0 HH12 ARG A 133 13.467 -0.089 2.892 1.00 0.00 H new ATOM 0 HH21 ARG A 133 14.756 1.940 5.470 1.00 0.00 H new ATOM 0 HH22 ARG A 133 14.609 0.297 4.837 1.00 0.00 H new ATOM 1999 N LYS A 134 12.103 7.866 -0.272 1.00 0.00 N ATOM 2000 CA LYS A 134 12.330 9.261 -0.630 1.00 0.00 C ATOM 2001 C LYS A 134 12.301 9.446 -2.144 1.00 0.00 C ATOM 2002 O LYS A 134 12.704 8.558 -2.895 1.00 0.00 O ATOM 2003 CB LYS A 134 13.668 9.745 -0.069 1.00 0.00 C ATOM 2004 CG LYS A 134 13.790 9.588 1.438 1.00 0.00 C ATOM 2005 CD LYS A 134 13.109 10.731 2.174 1.00 0.00 C ATOM 2006 CE LYS A 134 14.113 11.777 2.630 1.00 0.00 C ATOM 2007 NZ LYS A 134 15.202 11.183 3.452 1.00 0.00 N ATOM 0 H LYS A 134 11.260 7.704 0.278 1.00 0.00 H new ATOM 0 HA LYS A 134 11.527 9.856 -0.194 1.00 0.00 H new ATOM 0 HB2 LYS A 134 14.475 9.192 -0.550 1.00 0.00 H new ATOM 0 HB3 LYS A 134 13.802 10.795 -0.328 1.00 0.00 H new ATOM 0 HG2 LYS A 134 13.345 8.641 1.743 1.00 0.00 H new ATOM 0 HG3 LYS A 134 14.843 9.550 1.717 1.00 0.00 H new ATOM 0 HD2 LYS A 134 12.369 11.195 1.522 1.00 0.00 H new ATOM 0 HD3 LYS A 134 12.572 10.340 3.038 1.00 0.00 H new ATOM 0 HE2 LYS A 134 14.544 12.270 1.759 1.00 0.00 H new ATOM 0 HE3 LYS A 134 13.599 12.545 3.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 134 15.499 11.865 4.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 134 14.857 10.316 3.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 134 16.012 10.953 2.841 1.00 0.00 H new