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 Single : A 74 ASN : amide:sc= 0 X(o=0,f=0.1) USER MOD Single : A 76 ASN : amide:sc= -0.681 K(o=-0.68,f=-1.2!) USER MOD Single : A 77 LYS NZ :NH3+ -147:sc= -0.151 (180deg=-1.18!) USER MOD Single : A 82 GLN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 87 THR OG1 : rot 39:sc= 0.32 USER MOD Single : A 88 GLN : amide:sc= -2.18! C(o=-2.2!,f=-4!) USER MOD Single : A 93 GLN : amide:sc= -0.236 X(o=-0.24,f=-0.073) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 ASN : amide:sc= -0.434 X(o=-0.43,f=0) USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 115 TYR OH : rot 83:sc= 1.25 USER MOD Single : A 117 GLN : amide:sc= -0.128 X(o=-0.13,f=-0.13) USER MOD Single : A 118 CYS SG : rot -130:sc= 0.342 USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 126 THR OG1 : rot 180:sc= -0.219 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 156:sc= -1.17 USER MOD Single : A 134 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 915 N PHE A 65 9.348 -5.321 2.689 1.00 0.00 N ATOM 916 CA PHE A 65 9.467 -4.078 3.442 1.00 0.00 C ATOM 917 C PHE A 65 9.023 -4.276 4.887 1.00 0.00 C ATOM 918 O PHE A 65 8.672 -5.384 5.293 1.00 0.00 O ATOM 919 CB PHE A 65 8.633 -2.977 2.785 1.00 0.00 C ATOM 920 CG PHE A 65 9.348 -2.263 1.674 1.00 0.00 C ATOM 921 CD1 PHE A 65 9.586 -2.897 0.465 1.00 0.00 C ATOM 922 CD2 PHE A 65 9.780 -0.956 1.838 1.00 0.00 C ATOM 923 CE1 PHE A 65 10.242 -2.242 -0.559 1.00 0.00 C ATOM 924 CE2 PHE A 65 10.438 -0.297 0.817 1.00 0.00 C ATOM 925 CZ PHE A 65 10.669 -0.940 -0.383 1.00 0.00 C ATOM 0 HA PHE A 65 10.515 -3.778 3.440 1.00 0.00 H new ATOM 0 HB2 PHE A 65 7.714 -3.414 2.393 1.00 0.00 H new ATOM 0 HB3 PHE A 65 8.342 -2.251 3.544 1.00 0.00 H new ATOM 0 HD1 PHE A 65 9.255 -3.915 0.322 1.00 0.00 H new ATOM 0 HD2 PHE A 65 9.600 -0.447 2.774 1.00 0.00 H new ATOM 0 HE1 PHE A 65 10.421 -2.747 -1.497 1.00 0.00 H new ATOM 0 HE2 PHE A 65 10.771 0.721 0.958 1.00 0.00 H new ATOM 0 HZ PHE A 65 11.182 -0.426 -1.182 1.00 0.00 H new ATOM 935 N ARG A 66 9.038 -3.194 5.659 1.00 0.00 N ATOM 936 CA ARG A 66 8.634 -3.249 7.059 1.00 0.00 C ATOM 937 C ARG A 66 7.416 -2.367 7.309 1.00 0.00 C ATOM 938 O ARG A 66 7.126 -1.458 6.532 1.00 0.00 O ATOM 939 CB ARG A 66 9.789 -2.810 7.962 1.00 0.00 C ATOM 940 CG ARG A 66 9.541 -3.075 9.438 1.00 0.00 C ATOM 941 CD ARG A 66 10.834 -3.053 10.236 1.00 0.00 C ATOM 942 NE ARG A 66 10.990 -1.815 10.995 1.00 0.00 N ATOM 943 CZ ARG A 66 10.190 -1.456 11.997 1.00 0.00 C ATOM 944 NH1 ARG A 66 9.179 -2.234 12.361 1.00 0.00 N ATOM 945 NH2 ARG A 66 10.403 -0.314 12.637 1.00 0.00 N ATOM 0 H ARG A 66 9.325 -2.269 5.339 1.00 0.00 H new ATOM 0 HA ARG A 66 8.368 -4.280 7.294 1.00 0.00 H new ATOM 0 HB2 ARG A 66 10.697 -3.330 7.655 1.00 0.00 H new ATOM 0 HB3 ARG A 66 9.968 -1.744 7.818 1.00 0.00 H new ATOM 0 HG2 ARG A 66 8.856 -2.324 9.833 1.00 0.00 H new ATOM 0 HG3 ARG A 66 9.055 -4.044 9.558 1.00 0.00 H new ATOM 0 HD2 ARG A 66 10.852 -3.902 10.920 1.00 0.00 H new ATOM 0 HD3 ARG A 66 11.680 -3.171 9.559 1.00 0.00 H new ATOM 0 HE ARG A 66 11.755 -1.190 10.743 1.00 0.00 H new ATOM 0 HH11 ARG A 66 9.011 -3.113 11.872 1.00 0.00 H new ATOM 0 HH12 ARG A 66 8.570 -1.953 13.129 1.00 0.00 H new ATOM 0 HH21 ARG A 66 11.179 0.288 12.361 1.00 0.00 H new ATOM 0 HH22 ARG A 66 9.791 -0.038 13.405 1.00 0.00 H new ATOM 959 N VAL A 67 6.706 -2.642 8.398 1.00 0.00 N ATOM 960 CA VAL A 67 5.519 -1.873 8.749 1.00 0.00 C ATOM 961 C VAL A 67 5.879 -0.675 9.622 1.00 0.00 C ATOM 962 O VAL A 67 6.359 -0.836 10.745 1.00 0.00 O ATOM 963 CB VAL A 67 4.486 -2.742 9.489 1.00 0.00 C ATOM 964 CG1 VAL A 67 3.180 -1.982 9.672 1.00 0.00 C ATOM 965 CG2 VAL A 67 4.251 -4.045 8.742 1.00 0.00 C ATOM 0 H VAL A 67 6.932 -3.391 9.052 1.00 0.00 H new ATOM 0 HA VAL A 67 5.082 -1.520 7.815 1.00 0.00 H new ATOM 0 HB VAL A 67 4.882 -2.981 10.476 1.00 0.00 H new ATOM 0 HG11 VAL A 67 2.463 -2.613 10.197 1.00 0.00 H new ATOM 0 HG12 VAL A 67 3.363 -1.079 10.254 1.00 0.00 H new ATOM 0 HG13 VAL A 67 2.778 -1.710 8.696 1.00 0.00 H new ATOM 0 HG21 VAL A 67 3.518 -4.646 9.280 1.00 0.00 H new ATOM 0 HG22 VAL A 67 3.878 -3.828 7.741 1.00 0.00 H new ATOM 0 HG23 VAL A 67 5.188 -4.596 8.668 1.00 0.00 H new ATOM 975 N GLY A 68 5.647 0.524 9.098 1.00 0.00 N ATOM 976 CA GLY A 68 5.954 1.730 9.841 1.00 0.00 C ATOM 977 C GLY A 68 7.108 2.505 9.236 1.00 0.00 C ATOM 978 O GLY A 68 7.849 3.185 9.946 1.00 0.00 O ATOM 0 H GLY A 68 5.251 0.681 8.171 1.00 0.00 H new ATOM 0 HA2 GLY A 68 5.070 2.367 9.875 1.00 0.00 H new ATOM 0 HA3 GLY A 68 6.197 1.467 10.871 1.00 0.00 H new ATOM 982 N GLU A 69 7.260 2.400 7.920 1.00 0.00 N ATOM 983 CA GLU A 69 8.332 3.095 7.215 1.00 0.00 C ATOM 984 C GLU A 69 7.768 4.004 6.127 1.00 0.00 C ATOM 985 O GLU A 69 6.706 3.735 5.569 1.00 0.00 O ATOM 986 CB GLU A 69 9.303 2.085 6.600 1.00 0.00 C ATOM 987 CG GLU A 69 9.702 0.967 7.550 1.00 0.00 C ATOM 988 CD GLU A 69 11.199 0.903 7.780 1.00 0.00 C ATOM 989 OE1 GLU A 69 11.751 1.859 8.364 1.00 0.00 O ATOM 990 OE2 GLU A 69 11.819 -0.105 7.380 1.00 0.00 O ATOM 0 H GLU A 69 6.654 1.840 7.320 1.00 0.00 H new ATOM 0 HA GLU A 69 8.868 3.712 7.936 1.00 0.00 H new ATOM 0 HB2 GLU A 69 8.846 1.649 5.711 1.00 0.00 H new ATOM 0 HB3 GLU A 69 10.201 2.610 6.273 1.00 0.00 H new ATOM 0 HG2 GLU A 69 9.197 1.110 8.505 1.00 0.00 H new ATOM 0 HG3 GLU A 69 9.359 0.014 7.148 1.00 0.00 H new ATOM 997 N ARG A 70 8.487 5.082 5.833 1.00 0.00 N ATOM 998 CA ARG A 70 8.058 6.031 4.813 1.00 0.00 C ATOM 999 C ARG A 70 8.516 5.585 3.428 1.00 0.00 C ATOM 1000 O ARG A 70 9.695 5.691 3.089 1.00 0.00 O ATOM 1001 CB ARG A 70 8.606 7.426 5.120 1.00 0.00 C ATOM 1002 CG ARG A 70 7.795 8.549 4.496 1.00 0.00 C ATOM 1003 CD ARG A 70 6.722 9.055 5.447 1.00 0.00 C ATOM 1004 NE ARG A 70 7.293 9.792 6.572 1.00 0.00 N ATOM 1005 CZ ARG A 70 7.847 10.997 6.465 1.00 0.00 C ATOM 1006 NH1 ARG A 70 7.906 11.605 5.287 1.00 0.00 N ATOM 1007 NH2 ARG A 70 8.343 11.597 7.538 1.00 0.00 N ATOM 0 H ARG A 70 9.369 5.320 6.287 1.00 0.00 H new ATOM 0 HA ARG A 70 6.969 6.067 4.822 1.00 0.00 H new ATOM 0 HB2 ARG A 70 8.634 7.566 6.201 1.00 0.00 H new ATOM 0 HB3 ARG A 70 9.634 7.490 4.763 1.00 0.00 H new ATOM 0 HG2 ARG A 70 8.458 9.370 4.223 1.00 0.00 H new ATOM 0 HG3 ARG A 70 7.330 8.196 3.576 1.00 0.00 H new ATOM 0 HD2 ARG A 70 6.031 9.700 4.904 1.00 0.00 H new ATOM 0 HD3 ARG A 70 6.143 8.211 5.822 1.00 0.00 H new ATOM 0 HE ARG A 70 7.265 9.357 7.494 1.00 0.00 H new ATOM 0 HH11 ARG A 70 7.526 11.149 4.458 1.00 0.00 H new ATOM 0 HH12 ARG A 70 8.332 12.529 5.211 1.00 0.00 H new ATOM 0 HH21 ARG A 70 8.300 11.135 8.446 1.00 0.00 H new ATOM 0 HH22 ARG A 70 8.768 12.521 7.455 1.00 0.00 H new ATOM 1021 N VAL A 71 7.576 5.088 2.630 1.00 0.00 N ATOM 1022 CA VAL A 71 7.882 4.628 1.282 1.00 0.00 C ATOM 1023 C VAL A 71 7.199 5.501 0.235 1.00 0.00 C ATOM 1024 O VAL A 71 6.208 6.172 0.524 1.00 0.00 O ATOM 1025 CB VAL A 71 7.449 3.165 1.076 1.00 0.00 C ATOM 1026 CG1 VAL A 71 8.341 2.224 1.872 1.00 0.00 C ATOM 1027 CG2 VAL A 71 5.989 2.981 1.461 1.00 0.00 C ATOM 0 H VAL A 71 6.595 4.994 2.895 1.00 0.00 H new ATOM 0 HA VAL A 71 8.963 4.699 1.161 1.00 0.00 H new ATOM 0 HB VAL A 71 7.556 2.920 0.019 1.00 0.00 H new ATOM 0 HG11 VAL A 71 8.018 1.195 1.713 1.00 0.00 H new ATOM 0 HG12 VAL A 71 9.374 2.336 1.542 1.00 0.00 H new ATOM 0 HG13 VAL A 71 8.271 2.466 2.932 1.00 0.00 H new ATOM 0 HG21 VAL A 71 5.701 1.941 1.309 1.00 0.00 H new ATOM 0 HG22 VAL A 71 5.853 3.245 2.510 1.00 0.00 H new ATOM 0 HG23 VAL A 71 5.365 3.625 0.841 1.00 0.00 H new ATOM 1037 N TRP A 72 7.735 5.487 -0.981 1.00 0.00 N ATOM 1038 CA TRP A 72 7.177 6.280 -2.071 1.00 0.00 C ATOM 1039 C TRP A 72 6.551 5.381 -3.133 1.00 0.00 C ATOM 1040 O TRP A 72 7.246 4.620 -3.804 1.00 0.00 O ATOM 1041 CB TRP A 72 8.263 7.151 -2.703 1.00 0.00 C ATOM 1042 CG TRP A 72 8.405 8.491 -2.048 1.00 0.00 C ATOM 1043 CD1 TRP A 72 8.135 9.708 -2.605 1.00 0.00 C ATOM 1044 CD2 TRP A 72 8.852 8.751 -0.713 1.00 0.00 C ATOM 1045 NE1 TRP A 72 8.386 10.709 -1.697 1.00 0.00 N ATOM 1046 CE2 TRP A 72 8.827 10.146 -0.528 1.00 0.00 C ATOM 1047 CE3 TRP A 72 9.269 7.938 0.346 1.00 0.00 C ATOM 1048 CZ2 TRP A 72 9.205 10.745 0.671 1.00 0.00 C ATOM 1049 CZ3 TRP A 72 9.644 8.535 1.535 1.00 0.00 C ATOM 1050 CH2 TRP A 72 9.609 9.926 1.690 1.00 0.00 C ATOM 0 H TRP A 72 8.554 4.936 -1.237 1.00 0.00 H new ATOM 0 HA TRP A 72 6.399 6.922 -1.658 1.00 0.00 H new ATOM 0 HB2 TRP A 72 9.217 6.626 -2.650 1.00 0.00 H new ATOM 0 HB3 TRP A 72 8.036 7.293 -3.760 1.00 0.00 H new ATOM 0 HD1 TRP A 72 7.777 9.862 -3.612 1.00 0.00 H new ATOM 0 HE1 TRP A 72 8.264 11.708 -1.866 1.00 0.00 H new ATOM 0 HE3 TRP A 72 9.297 6.864 0.237 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 9.180 11.818 0.792 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 9.970 7.917 2.359 1.00 0.00 H new ATOM 0 HH2 TRP A 72 9.907 10.361 2.633 1.00 0.00 H new ATOM 1061 N VAL A 73 5.233 5.476 -3.280 1.00 0.00 N ATOM 1062 CA VAL A 73 4.514 4.674 -4.262 1.00 0.00 C ATOM 1063 C VAL A 73 4.759 5.194 -5.675 1.00 0.00 C ATOM 1064 O VAL A 73 4.683 6.397 -5.926 1.00 0.00 O ATOM 1065 CB VAL A 73 2.999 4.665 -3.984 1.00 0.00 C ATOM 1066 CG1 VAL A 73 2.286 3.703 -4.922 1.00 0.00 C ATOM 1067 CG2 VAL A 73 2.723 4.307 -2.530 1.00 0.00 C ATOM 0 H VAL A 73 4.642 6.101 -2.731 1.00 0.00 H new ATOM 0 HA VAL A 73 4.893 3.655 -4.179 1.00 0.00 H new ATOM 0 HB VAL A 73 2.611 5.667 -4.167 1.00 0.00 H new ATOM 0 HG11 VAL A 73 1.217 3.712 -4.709 1.00 0.00 H new ATOM 0 HG12 VAL A 73 2.453 4.011 -5.954 1.00 0.00 H new ATOM 0 HG13 VAL A 73 2.677 2.696 -4.776 1.00 0.00 H new ATOM 0 HG21 VAL A 73 1.647 4.306 -2.353 1.00 0.00 H new ATOM 0 HG22 VAL A 73 3.127 3.317 -2.316 1.00 0.00 H new ATOM 0 HG23 VAL A 73 3.197 5.041 -1.878 1.00 0.00 H new ATOM 1077 N ASN A 74 5.057 4.281 -6.594 1.00 0.00 N ATOM 1078 CA ASN A 74 5.315 4.651 -7.981 1.00 0.00 C ATOM 1079 C ASN A 74 6.467 5.649 -8.078 1.00 0.00 C ATOM 1080 O ASN A 74 6.588 6.377 -9.063 1.00 0.00 O ATOM 1081 CB ASN A 74 4.055 5.244 -8.615 1.00 0.00 C ATOM 1082 CG ASN A 74 3.804 4.709 -10.012 1.00 0.00 C ATOM 1083 OD1 ASN A 74 4.614 4.903 -10.918 1.00 0.00 O ATOM 1084 ND2 ASN A 74 2.676 4.030 -10.191 1.00 0.00 N ATOM 0 H ASN A 74 5.126 3.281 -6.404 1.00 0.00 H new ATOM 0 HA ASN A 74 5.597 3.749 -8.523 1.00 0.00 H new ATOM 0 HB2 ASN A 74 3.195 5.022 -7.984 1.00 0.00 H new ATOM 0 HB3 ASN A 74 4.148 6.329 -8.656 1.00 0.00 H new ATOM 0 HD21 ASN A 74 2.453 3.645 -11.109 1.00 0.00 H new ATOM 0 HD22 ASN A 74 2.034 3.894 -9.411 1.00 0.00 H new ATOM 1091 N GLY A 75 7.311 5.678 -7.050 1.00 0.00 N ATOM 1092 CA GLY A 75 8.440 6.589 -7.043 1.00 0.00 C ATOM 1093 C GLY A 75 8.018 8.046 -7.040 1.00 0.00 C ATOM 1094 O GLY A 75 8.700 8.895 -7.614 1.00 0.00 O ATOM 0 H GLY A 75 7.232 5.087 -6.223 1.00 0.00 H new ATOM 0 HA2 GLY A 75 9.055 6.392 -6.165 1.00 0.00 H new ATOM 0 HA3 GLY A 75 9.062 6.397 -7.918 1.00 0.00 H new ATOM 1098 N ASN A 76 6.893 8.338 -6.394 1.00 0.00 N ATOM 1099 CA ASN A 76 6.389 9.706 -6.322 1.00 0.00 C ATOM 1100 C ASN A 76 5.107 9.779 -5.496 1.00 0.00 C ATOM 1101 O ASN A 76 4.126 10.399 -5.908 1.00 0.00 O ATOM 1102 CB ASN A 76 6.134 10.251 -7.730 1.00 0.00 C ATOM 1103 CG ASN A 76 5.235 9.343 -8.546 1.00 0.00 C ATOM 1104 OD1 ASN A 76 4.151 8.963 -8.105 1.00 0.00 O ATOM 1105 ND2 ASN A 76 5.682 8.991 -9.746 1.00 0.00 N ATOM 0 H ASN A 76 6.315 7.648 -5.914 1.00 0.00 H new ATOM 0 HA ASN A 76 7.146 10.317 -5.832 1.00 0.00 H new ATOM 0 HB2 ASN A 76 5.679 11.239 -7.658 1.00 0.00 H new ATOM 0 HB3 ASN A 76 7.086 10.375 -8.247 1.00 0.00 H new ATOM 0 HD21 ASN A 76 5.120 8.382 -10.341 1.00 0.00 H new ATOM 0 HD22 ASN A 76 6.587 9.329 -10.072 1.00 0.00 H new ATOM 1112 N LYS A 77 5.122 9.148 -4.326 1.00 0.00 N ATOM 1113 CA LYS A 77 3.959 9.147 -3.444 1.00 0.00 C ATOM 1114 C LYS A 77 4.324 8.616 -2.059 1.00 0.00 C ATOM 1115 O LYS A 77 4.234 7.415 -1.803 1.00 0.00 O ATOM 1116 CB LYS A 77 2.835 8.300 -4.046 1.00 0.00 C ATOM 1117 CG LYS A 77 1.917 9.080 -4.974 1.00 0.00 C ATOM 1118 CD LYS A 77 0.520 8.476 -5.015 1.00 0.00 C ATOM 1119 CE LYS A 77 0.192 7.918 -6.390 1.00 0.00 C ATOM 1120 NZ LYS A 77 0.434 8.916 -7.467 1.00 0.00 N ATOM 0 H LYS A 77 5.925 8.632 -3.967 1.00 0.00 H new ATOM 0 HA LYS A 77 3.614 10.176 -3.340 1.00 0.00 H new ATOM 0 HB2 LYS A 77 3.273 7.468 -4.597 1.00 0.00 H new ATOM 0 HB3 LYS A 77 2.242 7.871 -3.238 1.00 0.00 H new ATOM 0 HG2 LYS A 77 1.857 10.116 -4.641 1.00 0.00 H new ATOM 0 HG3 LYS A 77 2.339 9.092 -5.979 1.00 0.00 H new ATOM 0 HD2 LYS A 77 0.444 7.682 -4.272 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -0.214 9.236 -4.746 1.00 0.00 H new ATOM 0 HE2 LYS A 77 0.797 7.030 -6.575 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -0.851 7.603 -6.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -0.257 8.776 -8.232 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 0.332 9.876 -7.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 1.396 8.794 -7.843 1.00 0.00 H new ATOM 1134 N PRO A 78 4.739 9.508 -1.141 1.00 0.00 N ATOM 1135 CA PRO A 78 5.115 9.118 0.223 1.00 0.00 C ATOM 1136 C PRO A 78 3.925 8.598 1.023 1.00 0.00 C ATOM 1137 O PRO A 78 2.795 9.050 0.839 1.00 0.00 O ATOM 1138 CB PRO A 78 5.644 10.418 0.838 1.00 0.00 C ATOM 1139 CG PRO A 78 5.017 11.504 0.035 1.00 0.00 C ATOM 1140 CD PRO A 78 4.874 10.960 -1.358 1.00 0.00 C ATOM 0 HA PRO A 78 5.841 8.305 0.227 1.00 0.00 H new ATOM 0 HB2 PRO A 78 5.371 10.497 1.890 1.00 0.00 H new ATOM 0 HB3 PRO A 78 6.732 10.466 0.786 1.00 0.00 H new ATOM 0 HG2 PRO A 78 4.047 11.783 0.446 1.00 0.00 H new ATOM 0 HG3 PRO A 78 5.636 12.401 0.042 1.00 0.00 H new ATOM 0 HD2 PRO A 78 4.002 11.374 -1.864 1.00 0.00 H new ATOM 0 HD3 PRO A 78 5.742 11.196 -1.973 1.00 0.00 H new ATOM 1148 N GLY A 79 4.188 7.645 1.911 1.00 0.00 N ATOM 1149 CA GLY A 79 3.129 7.078 2.725 1.00 0.00 C ATOM 1150 C GLY A 79 3.660 6.203 3.843 1.00 0.00 C ATOM 1151 O GLY A 79 4.841 6.267 4.183 1.00 0.00 O ATOM 0 H GLY A 79 5.115 7.255 2.081 1.00 0.00 H new ATOM 0 HA2 GLY A 79 2.532 7.884 3.152 1.00 0.00 H new ATOM 0 HA3 GLY A 79 2.464 6.490 2.092 1.00 0.00 H new ATOM 1155 N PHE A 80 2.785 5.382 4.415 1.00 0.00 N ATOM 1156 CA PHE A 80 3.172 4.490 5.502 1.00 0.00 C ATOM 1157 C PHE A 80 2.638 3.081 5.264 1.00 0.00 C ATOM 1158 O PHE A 80 1.436 2.884 5.085 1.00 0.00 O ATOM 1159 CB PHE A 80 2.656 5.025 6.838 1.00 0.00 C ATOM 1160 CG PHE A 80 3.062 6.445 7.113 1.00 0.00 C ATOM 1161 CD1 PHE A 80 4.278 6.728 7.715 1.00 0.00 C ATOM 1162 CD2 PHE A 80 2.228 7.497 6.768 1.00 0.00 C ATOM 1163 CE1 PHE A 80 4.654 8.033 7.969 1.00 0.00 C ATOM 1164 CE2 PHE A 80 2.599 8.804 7.020 1.00 0.00 C ATOM 1165 CZ PHE A 80 3.813 9.073 7.621 1.00 0.00 C ATOM 0 H PHE A 80 1.804 5.316 4.144 1.00 0.00 H new ATOM 0 HA PHE A 80 4.261 4.447 5.533 1.00 0.00 H new ATOM 0 HB2 PHE A 80 1.568 4.958 6.851 1.00 0.00 H new ATOM 0 HB3 PHE A 80 3.025 4.388 7.642 1.00 0.00 H new ATOM 0 HD1 PHE A 80 4.939 5.919 7.989 1.00 0.00 H new ATOM 0 HD2 PHE A 80 1.278 7.293 6.297 1.00 0.00 H new ATOM 0 HE1 PHE A 80 5.604 8.240 8.439 1.00 0.00 H new ATOM 0 HE2 PHE A 80 1.940 9.615 6.747 1.00 0.00 H new ATOM 0 HZ PHE A 80 4.105 10.094 7.819 1.00 0.00 H new ATOM 1175 N ILE A 81 3.539 2.104 5.265 1.00 0.00 N ATOM 1176 CA ILE A 81 3.159 0.713 5.050 1.00 0.00 C ATOM 1177 C ILE A 81 2.429 0.150 6.265 1.00 0.00 C ATOM 1178 O ILE A 81 2.807 0.412 7.406 1.00 0.00 O ATOM 1179 CB ILE A 81 4.389 -0.165 4.751 1.00 0.00 C ATOM 1180 CG1 ILE A 81 5.231 0.457 3.637 1.00 0.00 C ATOM 1181 CG2 ILE A 81 3.956 -1.574 4.371 1.00 0.00 C ATOM 1182 CD1 ILE A 81 6.679 0.017 3.654 1.00 0.00 C ATOM 0 H ILE A 81 4.538 2.250 5.412 1.00 0.00 H new ATOM 0 HA ILE A 81 2.492 0.696 4.188 1.00 0.00 H new ATOM 0 HB ILE A 81 5.000 -0.224 5.652 1.00 0.00 H new ATOM 0 HG12 ILE A 81 4.792 0.197 2.673 1.00 0.00 H new ATOM 0 HG13 ILE A 81 5.189 1.543 3.724 1.00 0.00 H new ATOM 0 HG21 ILE A 81 4.837 -2.182 4.163 1.00 0.00 H new ATOM 0 HG22 ILE A 81 3.396 -2.017 5.194 1.00 0.00 H new ATOM 0 HG23 ILE A 81 3.325 -1.534 3.483 1.00 0.00 H new ATOM 0 HD11 ILE A 81 7.215 0.498 2.836 1.00 0.00 H new ATOM 0 HD12 ILE A 81 7.134 0.301 4.603 1.00 0.00 H new ATOM 0 HD13 ILE A 81 6.732 -1.065 3.536 1.00 0.00 H new ATOM 1194 N GLN A 82 1.380 -0.626 6.010 1.00 0.00 N ATOM 1195 CA GLN A 82 0.596 -1.227 7.082 1.00 0.00 C ATOM 1196 C GLN A 82 0.489 -2.738 6.898 1.00 0.00 C ATOM 1197 O GLN A 82 0.711 -3.505 7.835 1.00 0.00 O ATOM 1198 CB GLN A 82 -0.803 -0.608 7.129 1.00 0.00 C ATOM 1199 CG GLN A 82 -0.792 0.907 7.247 1.00 0.00 C ATOM 1200 CD GLN A 82 -0.472 1.379 8.652 1.00 0.00 C ATOM 1201 OE1 GLN A 82 -1.071 0.921 9.624 1.00 0.00 O ATOM 1202 NE2 GLN A 82 0.477 2.301 8.763 1.00 0.00 N ATOM 0 H GLN A 82 1.054 -0.853 5.071 1.00 0.00 H new ATOM 0 HA GLN A 82 1.106 -1.029 8.025 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -1.347 -0.890 6.228 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -1.349 -1.026 7.975 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -0.057 1.317 6.554 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -1.765 1.298 6.949 1.00 0.00 H new ATOM 0 HE21 GLN A 82 0.947 2.652 7.929 1.00 0.00 H new ATOM 0 HE22 GLN A 82 0.736 2.658 9.683 1.00 0.00 H new ATOM 1211 N PHE A 83 0.148 -3.158 5.684 1.00 0.00 N ATOM 1212 CA PHE A 83 0.012 -4.578 5.377 1.00 0.00 C ATOM 1213 C PHE A 83 1.223 -5.084 4.600 1.00 0.00 C ATOM 1214 O PHE A 83 1.715 -4.415 3.691 1.00 0.00 O ATOM 1215 CB PHE A 83 -1.265 -4.826 4.574 1.00 0.00 C ATOM 1216 CG PHE A 83 -1.604 -6.282 4.420 1.00 0.00 C ATOM 1217 CD1 PHE A 83 -2.249 -6.967 5.437 1.00 0.00 C ATOM 1218 CD2 PHE A 83 -1.278 -6.963 3.258 1.00 0.00 C ATOM 1219 CE1 PHE A 83 -2.561 -8.306 5.298 1.00 0.00 C ATOM 1220 CE2 PHE A 83 -1.589 -8.303 3.114 1.00 0.00 C ATOM 1221 CZ PHE A 83 -2.232 -8.975 4.136 1.00 0.00 C ATOM 0 H PHE A 83 -0.039 -2.536 4.897 1.00 0.00 H new ATOM 0 HA PHE A 83 -0.047 -5.125 6.318 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -2.096 -4.317 5.062 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -1.155 -4.380 3.585 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -2.511 -6.449 6.348 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -0.776 -6.442 2.456 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -3.062 -8.829 6.099 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -1.330 -8.823 2.204 1.00 0.00 H new ATOM 0 HZ PHE A 83 -2.477 -10.021 4.026 1.00 0.00 H new ATOM 1231 N LEU A 84 1.698 -6.272 4.964 1.00 0.00 N ATOM 1232 CA LEU A 84 2.852 -6.869 4.300 1.00 0.00 C ATOM 1233 C LEU A 84 2.756 -8.391 4.311 1.00 0.00 C ATOM 1234 O LEU A 84 2.924 -9.027 5.351 1.00 0.00 O ATOM 1235 CB LEU A 84 4.146 -6.421 4.982 1.00 0.00 C ATOM 1236 CG LEU A 84 4.717 -5.095 4.479 1.00 0.00 C ATOM 1237 CD1 LEU A 84 5.513 -4.405 5.576 1.00 0.00 C ATOM 1238 CD2 LEU A 84 5.584 -5.321 3.249 1.00 0.00 C ATOM 0 H LEU A 84 1.302 -6.839 5.714 1.00 0.00 H new ATOM 0 HA LEU A 84 2.861 -6.531 3.264 1.00 0.00 H new ATOM 0 HB2 LEU A 84 3.964 -6.338 6.053 1.00 0.00 H new ATOM 0 HB3 LEU A 84 4.898 -7.198 4.846 1.00 0.00 H new ATOM 0 HG LEU A 84 3.887 -4.446 4.200 1.00 0.00 H new ATOM 0 HD11 LEU A 84 5.911 -3.463 5.199 1.00 0.00 H new ATOM 0 HD12 LEU A 84 4.863 -4.209 6.429 1.00 0.00 H new ATOM 0 HD13 LEU A 84 6.336 -5.048 5.888 1.00 0.00 H new ATOM 0 HD21 LEU A 84 5.982 -4.367 2.904 1.00 0.00 H new ATOM 0 HD22 LEU A 84 6.408 -5.988 3.502 1.00 0.00 H new ATOM 0 HD23 LEU A 84 4.983 -5.770 2.458 1.00 0.00 H new ATOM 1250 N GLY A 85 2.486 -8.970 3.145 1.00 0.00 N ATOM 1251 CA GLY A 85 2.373 -10.412 3.041 1.00 0.00 C ATOM 1252 C GLY A 85 1.600 -10.847 1.811 1.00 0.00 C ATOM 1253 O GLY A 85 1.811 -10.319 0.719 1.00 0.00 O ATOM 0 H GLY A 85 2.344 -8.465 2.270 1.00 0.00 H new ATOM 0 HA2 GLY A 85 3.371 -10.850 3.013 1.00 0.00 H new ATOM 0 HA3 GLY A 85 1.879 -10.800 3.932 1.00 0.00 H new ATOM 1257 N GLU A 86 0.701 -11.809 1.988 1.00 0.00 N ATOM 1258 CA GLU A 86 -0.105 -12.313 0.884 1.00 0.00 C ATOM 1259 C GLU A 86 -1.499 -11.694 0.902 1.00 0.00 C ATOM 1260 O GLU A 86 -1.876 -11.016 1.858 1.00 0.00 O ATOM 1261 CB GLU A 86 -0.212 -13.838 0.957 1.00 0.00 C ATOM 1262 CG GLU A 86 1.063 -14.556 0.545 1.00 0.00 C ATOM 1263 CD GLU A 86 0.873 -16.055 0.416 1.00 0.00 C ATOM 1264 OE1 GLU A 86 0.120 -16.482 -0.483 1.00 0.00 O ATOM 1265 OE2 GLU A 86 1.476 -16.801 1.217 1.00 0.00 O ATOM 0 H GLU A 86 0.513 -12.255 2.886 1.00 0.00 H new ATOM 0 HA GLU A 86 0.386 -12.034 -0.048 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -0.470 -14.128 1.976 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -1.029 -14.168 0.315 1.00 0.00 H new ATOM 0 HG2 GLU A 86 1.410 -14.154 -0.407 1.00 0.00 H new ATOM 0 HG3 GLU A 86 1.843 -14.354 1.280 1.00 0.00 H new ATOM 1272 N THR A 87 -2.260 -11.930 -0.162 1.00 0.00 N ATOM 1273 CA THR A 87 -3.612 -11.394 -0.269 1.00 0.00 C ATOM 1274 C THR A 87 -4.627 -12.514 -0.472 1.00 0.00 C ATOM 1275 O THR A 87 -4.259 -13.651 -0.770 1.00 0.00 O ATOM 1276 CB THR A 87 -3.697 -10.397 -1.426 1.00 0.00 C ATOM 1277 OG1 THR A 87 -2.903 -10.826 -2.518 1.00 0.00 O ATOM 1278 CG2 THR A 87 -3.244 -9.003 -1.049 1.00 0.00 C ATOM 0 H THR A 87 -1.963 -12.489 -0.962 1.00 0.00 H new ATOM 0 HA THR A 87 -3.847 -10.880 0.663 1.00 0.00 H new ATOM 0 HB THR A 87 -4.752 -10.358 -1.696 1.00 0.00 H new ATOM 0 HG1 THR A 87 -2.977 -11.798 -2.615 1.00 0.00 H new ATOM 0 HG21 THR A 87 -3.330 -8.346 -1.915 1.00 0.00 H new ATOM 0 HG22 THR A 87 -3.870 -8.623 -0.242 1.00 0.00 H new ATOM 0 HG23 THR A 87 -2.206 -9.035 -0.719 1.00 0.00 H new ATOM 1286 N GLN A 88 -5.903 -12.186 -0.307 1.00 0.00 N ATOM 1287 CA GLN A 88 -6.971 -13.165 -0.472 1.00 0.00 C ATOM 1288 C GLN A 88 -7.470 -13.193 -1.913 1.00 0.00 C ATOM 1289 O GLN A 88 -7.942 -14.223 -2.397 1.00 0.00 O ATOM 1290 CB GLN A 88 -8.131 -12.849 0.476 1.00 0.00 C ATOM 1291 CG GLN A 88 -8.046 -13.584 1.805 1.00 0.00 C ATOM 1292 CD GLN A 88 -8.293 -12.672 2.991 1.00 0.00 C ATOM 1293 OE1 GLN A 88 -7.676 -11.615 3.116 1.00 0.00 O ATOM 1294 NE2 GLN A 88 -9.201 -13.080 3.872 1.00 0.00 N ATOM 0 H GLN A 88 -6.223 -11.250 -0.059 1.00 0.00 H new ATOM 0 HA GLN A 88 -6.568 -14.148 -0.229 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -8.154 -11.776 0.664 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -9.070 -13.107 -0.013 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -8.775 -14.394 1.816 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -7.061 -14.041 1.901 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -9.689 -13.964 3.729 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -9.409 -12.509 4.691 1.00 0.00 H new ATOM 1303 N PHE A 89 -7.363 -12.057 -2.596 1.00 0.00 N ATOM 1304 CA PHE A 89 -7.804 -11.955 -3.982 1.00 0.00 C ATOM 1305 C PHE A 89 -6.658 -12.256 -4.943 1.00 0.00 C ATOM 1306 O PHE A 89 -6.869 -12.815 -6.020 1.00 0.00 O ATOM 1307 CB PHE A 89 -8.364 -10.559 -4.259 1.00 0.00 C ATOM 1308 CG PHE A 89 -7.384 -9.453 -3.987 1.00 0.00 C ATOM 1309 CD1 PHE A 89 -6.532 -9.004 -4.982 1.00 0.00 C ATOM 1310 CD2 PHE A 89 -7.316 -8.863 -2.734 1.00 0.00 C ATOM 1311 CE1 PHE A 89 -5.630 -7.987 -4.735 1.00 0.00 C ATOM 1312 CE2 PHE A 89 -6.416 -7.846 -2.480 1.00 0.00 C ATOM 1313 CZ PHE A 89 -5.572 -7.407 -3.483 1.00 0.00 C ATOM 0 H PHE A 89 -6.975 -11.195 -2.212 1.00 0.00 H new ATOM 0 HA PHE A 89 -8.590 -12.693 -4.142 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -8.681 -10.504 -5.300 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -9.252 -10.405 -3.646 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -6.573 -9.454 -5.963 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -7.974 -9.202 -1.948 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -4.971 -7.646 -5.520 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -6.372 -7.395 -1.500 1.00 0.00 H new ATOM 0 HZ PHE A 89 -4.868 -6.611 -3.288 1.00 0.00 H new ATOM 1323 N ALA A 90 -5.444 -11.884 -4.548 1.00 0.00 N ATOM 1324 CA ALA A 90 -4.267 -12.115 -5.376 1.00 0.00 C ATOM 1325 C ALA A 90 -3.318 -13.115 -4.716 1.00 0.00 C ATOM 1326 O ALA A 90 -3.149 -13.110 -3.498 1.00 0.00 O ATOM 1327 CB ALA A 90 -3.549 -10.801 -5.650 1.00 0.00 C ATOM 0 H ALA A 90 -5.251 -11.421 -3.660 1.00 0.00 H new ATOM 0 HA ALA A 90 -4.597 -12.540 -6.324 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -2.672 -10.988 -6.269 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -4.222 -10.120 -6.171 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -3.238 -10.353 -4.706 1.00 0.00 H new ATOM 1333 N PRO A 91 -2.684 -13.990 -5.518 1.00 0.00 N ATOM 1334 CA PRO A 91 -1.752 -14.997 -5.003 1.00 0.00 C ATOM 1335 C PRO A 91 -0.393 -14.402 -4.648 1.00 0.00 C ATOM 1336 O PRO A 91 0.186 -14.728 -3.611 1.00 0.00 O ATOM 1337 CB PRO A 91 -1.618 -15.972 -6.171 1.00 0.00 C ATOM 1338 CG PRO A 91 -1.837 -15.135 -7.383 1.00 0.00 C ATOM 1339 CD PRO A 91 -2.827 -14.070 -6.985 1.00 0.00 C ATOM 0 HA PRO A 91 -2.110 -15.455 -4.081 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -0.634 -16.441 -6.185 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -2.353 -16.774 -6.105 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -0.902 -14.690 -7.723 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -2.222 -15.736 -8.207 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -2.602 -13.116 -7.462 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -3.843 -14.339 -7.274 1.00 0.00 H new ATOM 1347 N GLY A 92 0.111 -13.531 -5.516 1.00 0.00 N ATOM 1348 CA GLY A 92 1.400 -12.907 -5.277 1.00 0.00 C ATOM 1349 C GLY A 92 1.440 -12.133 -3.974 1.00 0.00 C ATOM 1350 O GLY A 92 0.545 -12.265 -3.138 1.00 0.00 O ATOM 0 H GLY A 92 -0.350 -13.246 -6.380 1.00 0.00 H new ATOM 0 HA2 GLY A 92 2.174 -13.674 -5.264 1.00 0.00 H new ATOM 0 HA3 GLY A 92 1.632 -12.234 -6.102 1.00 0.00 H new ATOM 1354 N GLN A 93 2.481 -11.326 -3.799 1.00 0.00 N ATOM 1355 CA GLN A 93 2.636 -10.527 -2.589 1.00 0.00 C ATOM 1356 C GLN A 93 2.284 -9.067 -2.851 1.00 0.00 C ATOM 1357 O GLN A 93 2.444 -8.569 -3.965 1.00 0.00 O ATOM 1358 CB GLN A 93 4.069 -10.632 -2.064 1.00 0.00 C ATOM 1359 CG GLN A 93 4.474 -12.044 -1.675 1.00 0.00 C ATOM 1360 CD GLN A 93 5.359 -12.079 -0.444 1.00 0.00 C ATOM 1361 OE1 GLN A 93 6.442 -12.663 -0.460 1.00 0.00 O ATOM 1362 NE2 GLN A 93 4.900 -11.450 0.632 1.00 0.00 N ATOM 0 H GLN A 93 3.231 -11.208 -4.481 1.00 0.00 H new ATOM 0 HA GLN A 93 1.951 -10.917 -1.836 1.00 0.00 H new ATOM 0 HB2 GLN A 93 4.754 -10.264 -2.828 1.00 0.00 H new ATOM 0 HB3 GLN A 93 4.178 -9.980 -1.197 1.00 0.00 H new ATOM 0 HG2 GLN A 93 3.578 -12.637 -1.491 1.00 0.00 H new ATOM 0 HG3 GLN A 93 4.999 -12.510 -2.509 1.00 0.00 H new ATOM 0 HE21 GLN A 93 3.996 -10.979 0.600 1.00 0.00 H new ATOM 0 HE22 GLN A 93 5.452 -11.438 1.490 1.00 0.00 H new ATOM 1371 N TRP A 94 1.805 -8.385 -1.816 1.00 0.00 N ATOM 1372 CA TRP A 94 1.431 -6.980 -1.933 1.00 0.00 C ATOM 1373 C TRP A 94 1.859 -6.200 -0.695 1.00 0.00 C ATOM 1374 O TRP A 94 2.396 -6.769 0.255 1.00 0.00 O ATOM 1375 CB TRP A 94 -0.079 -6.848 -2.138 1.00 0.00 C ATOM 1376 CG TRP A 94 -0.540 -7.307 -3.487 1.00 0.00 C ATOM 1377 CD1 TRP A 94 -0.565 -8.591 -3.951 1.00 0.00 C ATOM 1378 CD2 TRP A 94 -1.039 -6.486 -4.549 1.00 0.00 C ATOM 1379 NE1 TRP A 94 -1.050 -8.617 -5.236 1.00 0.00 N ATOM 1380 CE2 TRP A 94 -1.348 -7.338 -5.626 1.00 0.00 C ATOM 1381 CE3 TRP A 94 -1.255 -5.111 -4.694 1.00 0.00 C ATOM 1382 CZ2 TRP A 94 -1.862 -6.861 -6.829 1.00 0.00 C ATOM 1383 CZ3 TRP A 94 -1.765 -4.640 -5.889 1.00 0.00 C ATOM 1384 CH2 TRP A 94 -2.064 -5.513 -6.943 1.00 0.00 C ATOM 0 H TRP A 94 1.667 -8.782 -0.887 1.00 0.00 H new ATOM 0 HA TRP A 94 1.945 -6.563 -2.799 1.00 0.00 H new ATOM 0 HB2 TRP A 94 -0.594 -7.426 -1.371 1.00 0.00 H new ATOM 0 HB3 TRP A 94 -0.367 -5.806 -1.999 1.00 0.00 H new ATOM 0 HD1 TRP A 94 -0.250 -9.459 -3.390 1.00 0.00 H new ATOM 0 HE1 TRP A 94 -1.169 -9.453 -5.807 1.00 0.00 H new ATOM 0 HE3 TRP A 94 -1.027 -4.430 -3.887 1.00 0.00 H new ATOM 0 HZ2 TRP A 94 -2.093 -7.532 -7.643 1.00 0.00 H new ATOM 0 HZ3 TRP A 94 -1.936 -3.581 -6.012 1.00 0.00 H new ATOM 0 HH2 TRP A 94 -2.462 -5.114 -7.864 1.00 0.00 H new ATOM 1395 N ALA A 95 1.619 -4.893 -0.714 1.00 0.00 N ATOM 1396 CA ALA A 95 1.979 -4.034 0.408 1.00 0.00 C ATOM 1397 C ALA A 95 1.079 -2.805 0.471 1.00 0.00 C ATOM 1398 O ALA A 95 1.091 -1.967 -0.430 1.00 0.00 O ATOM 1399 CB ALA A 95 3.438 -3.618 0.305 1.00 0.00 C ATOM 0 H ALA A 95 1.177 -4.406 -1.494 1.00 0.00 H new ATOM 0 HA ALA A 95 1.838 -4.601 1.328 1.00 0.00 H new ATOM 0 HB1 ALA A 95 3.694 -2.977 1.149 1.00 0.00 H new ATOM 0 HB2 ALA A 95 4.071 -4.505 0.318 1.00 0.00 H new ATOM 0 HB3 ALA A 95 3.596 -3.073 -0.626 1.00 0.00 H new ATOM 1405 N GLY A 96 0.299 -2.704 1.542 1.00 0.00 N ATOM 1406 CA GLY A 96 -0.597 -1.574 1.703 1.00 0.00 C ATOM 1407 C GLY A 96 0.094 -0.369 2.308 1.00 0.00 C ATOM 1408 O GLY A 96 0.739 -0.473 3.350 1.00 0.00 O ATOM 0 H GLY A 96 0.271 -3.384 2.301 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -1.012 -1.302 0.732 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -1.434 -1.865 2.337 1.00 0.00 H new ATOM 1412 N ILE A 97 -0.040 0.780 1.651 1.00 0.00 N ATOM 1413 CA ILE A 97 0.577 2.010 2.131 1.00 0.00 C ATOM 1414 C ILE A 97 -0.451 3.130 2.248 1.00 0.00 C ATOM 1415 O ILE A 97 -1.275 3.328 1.356 1.00 0.00 O ATOM 1416 CB ILE A 97 1.715 2.469 1.198 1.00 0.00 C ATOM 1417 CG1 ILE A 97 2.686 1.317 0.933 1.00 0.00 C ATOM 1418 CG2 ILE A 97 2.448 3.659 1.801 1.00 0.00 C ATOM 1419 CD1 ILE A 97 3.099 1.196 -0.517 1.00 0.00 C ATOM 0 H ILE A 97 -0.570 0.884 0.786 1.00 0.00 H new ATOM 0 HA ILE A 97 0.990 1.794 3.116 1.00 0.00 H new ATOM 0 HB ILE A 97 1.281 2.778 0.247 1.00 0.00 H new ATOM 0 HG12 ILE A 97 3.577 1.455 1.546 1.00 0.00 H new ATOM 0 HG13 ILE A 97 2.223 0.382 1.250 1.00 0.00 H new ATOM 0 HG21 ILE A 97 3.249 3.971 1.130 1.00 0.00 H new ATOM 0 HG22 ILE A 97 1.749 4.484 1.941 1.00 0.00 H new ATOM 0 HG23 ILE A 97 2.872 3.375 2.764 1.00 0.00 H new ATOM 0 HD11 ILE A 97 3.788 0.359 -0.631 1.00 0.00 H new ATOM 0 HD12 ILE A 97 2.216 1.026 -1.134 1.00 0.00 H new ATOM 0 HD13 ILE A 97 3.591 2.116 -0.833 1.00 0.00 H new ATOM 1431 N VAL A 98 -0.396 3.863 3.356 1.00 0.00 N ATOM 1432 CA VAL A 98 -1.322 4.965 3.591 1.00 0.00 C ATOM 1433 C VAL A 98 -0.683 6.303 3.240 1.00 0.00 C ATOM 1434 O VAL A 98 0.408 6.624 3.710 1.00 0.00 O ATOM 1435 CB VAL A 98 -1.791 5.001 5.057 1.00 0.00 C ATOM 1436 CG1 VAL A 98 -2.900 6.026 5.238 1.00 0.00 C ATOM 1437 CG2 VAL A 98 -2.250 3.623 5.506 1.00 0.00 C ATOM 0 H VAL A 98 0.280 3.713 4.105 1.00 0.00 H new ATOM 0 HA VAL A 98 -2.184 4.797 2.946 1.00 0.00 H new ATOM 0 HB VAL A 98 -0.948 5.298 5.681 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -3.219 6.037 6.280 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -2.531 7.014 4.961 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -3.746 5.763 4.603 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -2.578 3.669 6.545 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -3.078 3.293 4.879 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -1.424 2.917 5.417 1.00 0.00 H new ATOM 1447 N LEU A 99 -1.371 7.081 2.411 1.00 0.00 N ATOM 1448 CA LEU A 99 -0.871 8.386 1.996 1.00 0.00 C ATOM 1449 C LEU A 99 -1.277 9.468 2.992 1.00 0.00 C ATOM 1450 O LEU A 99 -2.019 9.206 3.938 1.00 0.00 O ATOM 1451 CB LEU A 99 -1.396 8.737 0.602 1.00 0.00 C ATOM 1452 CG LEU A 99 -1.251 7.628 -0.441 1.00 0.00 C ATOM 1453 CD1 LEU A 99 -2.381 7.700 -1.457 1.00 0.00 C ATOM 1454 CD2 LEU A 99 0.099 7.724 -1.135 1.00 0.00 C ATOM 0 H LEU A 99 -2.276 6.830 2.013 1.00 0.00 H new ATOM 0 HA LEU A 99 0.217 8.336 1.966 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -2.450 9.003 0.683 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -0.870 9.622 0.244 1.00 0.00 H new ATOM 0 HG LEU A 99 -1.309 6.666 0.068 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -2.261 6.903 -2.191 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -3.337 7.583 -0.947 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -2.355 8.666 -1.962 1.00 0.00 H new ATOM 0 HD21 LEU A 99 0.186 6.927 -1.874 1.00 0.00 H new ATOM 0 HD22 LEU A 99 0.185 8.691 -1.631 1.00 0.00 H new ATOM 0 HD23 LEU A 99 0.895 7.623 -0.398 1.00 0.00 H new ATOM 1466 N ASP A 100 -0.785 10.683 2.771 1.00 0.00 N ATOM 1467 CA ASP A 100 -1.098 11.805 3.649 1.00 0.00 C ATOM 1468 C ASP A 100 -1.980 12.824 2.937 1.00 0.00 C ATOM 1469 O ASP A 100 -1.900 14.024 3.204 1.00 0.00 O ATOM 1470 CB ASP A 100 0.191 12.475 4.131 1.00 0.00 C ATOM 1471 CG ASP A 100 0.107 12.912 5.581 1.00 0.00 C ATOM 1472 OD1 ASP A 100 0.078 12.031 6.465 1.00 0.00 O ATOM 1473 OD2 ASP A 100 0.071 14.136 5.830 1.00 0.00 O ATOM 0 H ASP A 100 -0.169 10.916 1.992 1.00 0.00 H new ATOM 0 HA ASP A 100 -1.644 11.420 4.510 1.00 0.00 H new ATOM 0 HB2 ASP A 100 1.024 11.783 4.010 1.00 0.00 H new ATOM 0 HB3 ASP A 100 0.403 13.341 3.505 1.00 0.00 H new ATOM 1478 N GLU A 101 -2.822 12.340 2.030 1.00 0.00 N ATOM 1479 CA GLU A 101 -3.721 13.210 1.279 1.00 0.00 C ATOM 1480 C GLU A 101 -4.760 12.391 0.516 1.00 0.00 C ATOM 1481 O GLU A 101 -4.512 11.242 0.154 1.00 0.00 O ATOM 1482 CB GLU A 101 -2.924 14.082 0.305 1.00 0.00 C ATOM 1483 CG GLU A 101 -2.560 15.446 0.868 1.00 0.00 C ATOM 1484 CD GLU A 101 -3.041 16.587 -0.008 1.00 0.00 C ATOM 1485 OE1 GLU A 101 -4.234 16.943 0.084 1.00 0.00 O ATOM 1486 OE2 GLU A 101 -2.224 17.123 -0.786 1.00 0.00 O ATOM 0 H GLU A 101 -2.901 11.350 1.797 1.00 0.00 H new ATOM 0 HA GLU A 101 -4.242 13.853 1.988 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -2.010 13.558 0.025 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -3.505 14.218 -0.607 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -2.991 15.551 1.864 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -1.478 15.511 0.981 1.00 0.00 H new ATOM 1493 N PRO A 102 -5.943 12.977 0.263 1.00 0.00 N ATOM 1494 CA PRO A 102 -7.022 12.296 -0.461 1.00 0.00 C ATOM 1495 C PRO A 102 -6.720 12.151 -1.949 1.00 0.00 C ATOM 1496 O PRO A 102 -7.443 12.674 -2.796 1.00 0.00 O ATOM 1497 CB PRO A 102 -8.224 13.217 -0.245 1.00 0.00 C ATOM 1498 CG PRO A 102 -7.632 14.568 -0.045 1.00 0.00 C ATOM 1499 CD PRO A 102 -6.321 14.347 0.660 1.00 0.00 C ATOM 0 HA PRO A 102 -7.177 11.278 -0.104 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -8.895 13.201 -1.104 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -8.809 12.908 0.621 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -7.481 15.073 -0.999 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -8.293 15.199 0.549 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -5.571 15.076 0.351 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -6.427 14.437 1.741 1.00 0.00 H new ATOM 1507 N ILE A 103 -5.644 11.432 -2.262 1.00 0.00 N ATOM 1508 CA ILE A 103 -5.247 11.217 -3.648 1.00 0.00 C ATOM 1509 C ILE A 103 -4.898 9.754 -3.900 1.00 0.00 C ATOM 1510 O ILE A 103 -4.098 9.441 -4.782 1.00 0.00 O ATOM 1511 CB ILE A 103 -4.039 12.093 -4.030 1.00 0.00 C ATOM 1512 CG1 ILE A 103 -2.910 11.916 -3.013 1.00 0.00 C ATOM 1513 CG2 ILE A 103 -4.453 13.555 -4.121 1.00 0.00 C ATOM 1514 CD1 ILE A 103 -1.530 11.922 -3.634 1.00 0.00 C ATOM 0 H ILE A 103 -5.034 10.990 -1.575 1.00 0.00 H new ATOM 0 HA ILE A 103 -6.100 11.497 -4.267 1.00 0.00 H new ATOM 0 HB ILE A 103 -3.674 11.777 -5.007 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -2.970 12.714 -2.273 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -3.056 10.976 -2.480 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -3.589 14.162 -4.392 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -5.227 13.667 -4.880 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -4.840 13.884 -3.157 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -0.780 11.792 -2.854 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -1.451 11.107 -4.353 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -1.364 12.872 -4.143 1.00 0.00 H new ATOM 1526 N GLY A 104 -5.503 8.861 -3.123 1.00 0.00 N ATOM 1527 CA GLY A 104 -5.242 7.443 -3.281 1.00 0.00 C ATOM 1528 C GLY A 104 -6.238 6.771 -4.206 1.00 0.00 C ATOM 1529 O GLY A 104 -6.774 7.402 -5.117 1.00 0.00 O ATOM 0 H GLY A 104 -6.169 9.095 -2.387 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -4.235 7.303 -3.673 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -5.274 6.960 -2.305 1.00 0.00 H new ATOM 1533 N LYS A 105 -6.487 5.486 -3.972 1.00 0.00 N ATOM 1534 CA LYS A 105 -7.424 4.728 -4.791 1.00 0.00 C ATOM 1535 C LYS A 105 -8.206 3.731 -3.941 1.00 0.00 C ATOM 1536 O LYS A 105 -9.428 3.632 -4.050 1.00 0.00 O ATOM 1537 CB LYS A 105 -6.680 3.992 -5.906 1.00 0.00 C ATOM 1538 CG LYS A 105 -5.653 4.853 -6.622 1.00 0.00 C ATOM 1539 CD LYS A 105 -5.531 4.470 -8.089 1.00 0.00 C ATOM 1540 CE LYS A 105 -4.452 5.281 -8.788 1.00 0.00 C ATOM 1541 NZ LYS A 105 -3.979 4.619 -10.034 1.00 0.00 N ATOM 0 H LYS A 105 -6.052 4.949 -3.222 1.00 0.00 H new ATOM 0 HA LYS A 105 -8.129 5.430 -5.237 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -6.180 3.120 -5.484 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -7.404 3.624 -6.633 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -5.936 5.902 -6.541 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -4.684 4.746 -6.135 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -5.300 3.408 -8.171 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -6.487 4.628 -8.588 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -4.840 6.271 -9.028 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -3.610 5.424 -8.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -3.244 5.204 -10.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -3.585 3.685 -9.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -4.777 4.505 -10.691 1.00 0.00 H new ATOM 1555 N ASN A 106 -7.491 2.993 -3.098 1.00 0.00 N ATOM 1556 CA ASN A 106 -8.118 2.004 -2.229 1.00 0.00 C ATOM 1557 C ASN A 106 -8.373 2.583 -0.842 1.00 0.00 C ATOM 1558 O ASN A 106 -7.998 3.720 -0.554 1.00 0.00 O ATOM 1559 CB ASN A 106 -7.233 0.758 -2.124 1.00 0.00 C ATOM 1560 CG ASN A 106 -7.799 -0.419 -2.893 1.00 0.00 C ATOM 1561 OD1 ASN A 106 -7.865 -0.398 -4.122 1.00 0.00 O ATOM 1562 ND2 ASN A 106 -8.212 -1.454 -2.172 1.00 0.00 N ATOM 0 H ASN A 106 -6.478 3.061 -2.998 1.00 0.00 H new ATOM 0 HA ASN A 106 -9.077 1.725 -2.665 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -6.237 0.990 -2.501 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -7.120 0.483 -1.075 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -8.603 -2.275 -2.635 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -8.139 -1.429 -1.155 1.00 0.00 H new ATOM 1569 N ASP A 107 -9.014 1.795 0.014 1.00 0.00 N ATOM 1570 CA ASP A 107 -9.319 2.229 1.372 1.00 0.00 C ATOM 1571 C ASP A 107 -8.916 1.166 2.388 1.00 0.00 C ATOM 1572 O ASP A 107 -9.573 0.992 3.414 1.00 0.00 O ATOM 1573 CB ASP A 107 -10.811 2.541 1.506 1.00 0.00 C ATOM 1574 CG ASP A 107 -11.264 3.622 0.545 1.00 0.00 C ATOM 1575 OD1 ASP A 107 -10.758 4.759 0.648 1.00 0.00 O ATOM 1576 OD2 ASP A 107 -12.126 3.331 -0.312 1.00 0.00 O ATOM 0 H ASP A 107 -9.333 0.852 -0.209 1.00 0.00 H new ATOM 0 HA ASP A 107 -8.746 3.133 1.575 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -11.387 1.633 1.325 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -11.023 2.855 2.528 1.00 0.00 H new ATOM 1581 N GLY A 108 -7.831 0.457 2.094 1.00 0.00 N ATOM 1582 CA GLY A 108 -7.358 -0.581 2.991 1.00 0.00 C ATOM 1583 C GLY A 108 -8.321 -1.746 3.092 1.00 0.00 C ATOM 1584 O GLY A 108 -8.375 -2.431 4.114 1.00 0.00 O ATOM 0 H GLY A 108 -7.271 0.583 1.251 1.00 0.00 H new ATOM 0 HA2 GLY A 108 -6.390 -0.943 2.644 1.00 0.00 H new ATOM 0 HA3 GLY A 108 -7.202 -0.156 3.983 1.00 0.00 H new ATOM 1588 N SER A 109 -9.086 -1.974 2.028 1.00 0.00 N ATOM 1589 CA SER A 109 -10.052 -3.065 2.002 1.00 0.00 C ATOM 1590 C SER A 109 -10.293 -3.545 0.574 1.00 0.00 C ATOM 1591 O SER A 109 -10.257 -2.757 -0.371 1.00 0.00 O ATOM 1592 CB SER A 109 -11.373 -2.620 2.632 1.00 0.00 C ATOM 1593 OG SER A 109 -12.336 -3.658 2.587 1.00 0.00 O ATOM 0 H SER A 109 -9.055 -1.418 1.174 1.00 0.00 H new ATOM 0 HA SER A 109 -9.642 -3.893 2.580 1.00 0.00 H new ATOM 0 HB2 SER A 109 -11.204 -2.322 3.667 1.00 0.00 H new ATOM 0 HB3 SER A 109 -11.753 -1.744 2.106 1.00 0.00 H new ATOM 0 HG SER A 109 -13.170 -3.348 2.997 1.00 0.00 H new ATOM 1599 N VAL A 110 -10.541 -4.842 0.425 1.00 0.00 N ATOM 1600 CA VAL A 110 -10.788 -5.428 -0.887 1.00 0.00 C ATOM 1601 C VAL A 110 -11.834 -6.536 -0.806 1.00 0.00 C ATOM 1602 O VAL A 110 -11.612 -7.566 -0.171 1.00 0.00 O ATOM 1603 CB VAL A 110 -9.497 -6.001 -1.501 1.00 0.00 C ATOM 1604 CG1 VAL A 110 -9.730 -6.421 -2.943 1.00 0.00 C ATOM 1605 CG2 VAL A 110 -8.366 -4.988 -1.408 1.00 0.00 C ATOM 0 H VAL A 110 -10.576 -5.507 1.197 1.00 0.00 H new ATOM 0 HA VAL A 110 -11.159 -4.626 -1.525 1.00 0.00 H new ATOM 0 HB VAL A 110 -9.209 -6.886 -0.933 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -8.806 -6.823 -3.359 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -10.507 -7.185 -2.978 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -10.045 -5.556 -3.527 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -7.462 -5.411 -1.847 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -8.643 -4.083 -1.949 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -8.181 -4.744 -0.362 1.00 0.00 H new ATOM 1615 N ALA A 111 -12.973 -6.314 -1.452 1.00 0.00 N ATOM 1616 CA ALA A 111 -14.053 -7.294 -1.454 1.00 0.00 C ATOM 1617 C ALA A 111 -14.538 -7.577 -0.036 1.00 0.00 C ATOM 1618 O ALA A 111 -14.976 -8.686 0.270 1.00 0.00 O ATOM 1619 CB ALA A 111 -13.597 -8.581 -2.124 1.00 0.00 C ATOM 0 H ALA A 111 -13.173 -5.465 -1.981 1.00 0.00 H new ATOM 0 HA ALA A 111 -14.887 -6.879 -2.020 1.00 0.00 H new ATOM 0 HB1 ALA A 111 -14.413 -9.303 -2.118 1.00 0.00 H new ATOM 0 HB2 ALA A 111 -13.305 -8.372 -3.153 1.00 0.00 H new ATOM 0 HB3 ALA A 111 -12.745 -8.992 -1.582 1.00 0.00 H new ATOM 1625 N GLY A 112 -14.460 -6.567 0.823 1.00 0.00 N ATOM 1626 CA GLY A 112 -14.895 -6.728 2.199 1.00 0.00 C ATOM 1627 C GLY A 112 -13.825 -7.343 3.078 1.00 0.00 C ATOM 1628 O GLY A 112 -14.133 -8.017 4.062 1.00 0.00 O ATOM 0 H GLY A 112 -14.104 -5.640 0.592 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -15.178 -5.756 2.603 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -15.786 -7.355 2.224 1.00 0.00 H new ATOM 1632 N VAL A 113 -12.565 -7.111 2.725 1.00 0.00 N ATOM 1633 CA VAL A 113 -11.445 -7.648 3.490 1.00 0.00 C ATOM 1634 C VAL A 113 -10.517 -6.533 3.962 1.00 0.00 C ATOM 1635 O VAL A 113 -9.687 -6.039 3.200 1.00 0.00 O ATOM 1636 CB VAL A 113 -10.632 -8.660 2.662 1.00 0.00 C ATOM 1637 CG1 VAL A 113 -9.596 -9.354 3.533 1.00 0.00 C ATOM 1638 CG2 VAL A 113 -11.554 -9.676 2.005 1.00 0.00 C ATOM 0 H VAL A 113 -12.294 -6.555 1.914 1.00 0.00 H new ATOM 0 HA VAL A 113 -11.869 -8.156 4.356 1.00 0.00 H new ATOM 0 HB VAL A 113 -10.107 -8.119 1.875 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -9.031 -10.065 2.930 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -8.916 -8.612 3.950 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -10.098 -9.883 4.343 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -10.961 -10.383 1.424 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -12.110 -10.214 2.773 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -12.253 -9.161 1.346 1.00 0.00 H new ATOM 1648 N ARG A 114 -10.665 -6.141 5.223 1.00 0.00 N ATOM 1649 CA ARG A 114 -9.840 -5.084 5.797 1.00 0.00 C ATOM 1650 C ARG A 114 -8.433 -5.593 6.094 1.00 0.00 C ATOM 1651 O ARG A 114 -8.239 -6.441 6.965 1.00 0.00 O ATOM 1652 CB ARG A 114 -10.482 -4.547 7.077 1.00 0.00 C ATOM 1653 CG ARG A 114 -10.235 -3.064 7.305 1.00 0.00 C ATOM 1654 CD ARG A 114 -11.388 -2.417 8.053 1.00 0.00 C ATOM 1655 NE ARG A 114 -12.364 -1.819 7.144 1.00 0.00 N ATOM 1656 CZ ARG A 114 -12.198 -0.642 6.548 1.00 0.00 C ATOM 1657 NH1 ARG A 114 -11.097 0.069 6.760 1.00 0.00 N ATOM 1658 NH2 ARG A 114 -13.136 -0.172 5.736 1.00 0.00 N ATOM 0 H ARG A 114 -11.348 -6.539 5.867 1.00 0.00 H new ATOM 0 HA ARG A 114 -9.768 -4.276 5.068 1.00 0.00 H new ATOM 0 HB2 ARG A 114 -11.556 -4.726 7.038 1.00 0.00 H new ATOM 0 HB3 ARG A 114 -10.097 -5.106 7.929 1.00 0.00 H new ATOM 0 HG2 ARG A 114 -9.312 -2.930 7.870 1.00 0.00 H new ATOM 0 HG3 ARG A 114 -10.096 -2.565 6.346 1.00 0.00 H new ATOM 0 HD2 ARG A 114 -11.882 -3.164 8.674 1.00 0.00 H new ATOM 0 HD3 ARG A 114 -11.000 -1.650 8.724 1.00 0.00 H new ATOM 0 HE ARG A 114 -13.223 -2.335 6.956 1.00 0.00 H new ATOM 0 HH11 ARG A 114 -10.372 -0.287 7.383 1.00 0.00 H new ATOM 0 HH12 ARG A 114 -10.976 0.971 6.300 1.00 0.00 H new ATOM 0 HH21 ARG A 114 -13.984 -0.713 5.569 1.00 0.00 H new ATOM 0 HH22 ARG A 114 -13.009 0.731 5.279 1.00 0.00 H new ATOM 1672 N TYR A 115 -7.453 -5.068 5.365 1.00 0.00 N ATOM 1673 CA TYR A 115 -6.064 -5.469 5.551 1.00 0.00 C ATOM 1674 C TYR A 115 -5.364 -4.557 6.554 1.00 0.00 C ATOM 1675 O TYR A 115 -4.488 -4.994 7.301 1.00 0.00 O ATOM 1676 CB TYR A 115 -5.320 -5.442 4.215 1.00 0.00 C ATOM 1677 CG TYR A 115 -5.887 -6.395 3.186 1.00 0.00 C ATOM 1678 CD1 TYR A 115 -7.038 -6.078 2.478 1.00 0.00 C ATOM 1679 CD2 TYR A 115 -5.269 -7.612 2.924 1.00 0.00 C ATOM 1680 CE1 TYR A 115 -7.559 -6.947 1.537 1.00 0.00 C ATOM 1681 CE2 TYR A 115 -5.783 -8.485 1.985 1.00 0.00 C ATOM 1682 CZ TYR A 115 -6.927 -8.148 1.295 1.00 0.00 C ATOM 1683 OH TYR A 115 -7.443 -9.015 0.359 1.00 0.00 O ATOM 0 H TYR A 115 -7.596 -4.364 4.641 1.00 0.00 H new ATOM 0 HA TYR A 115 -6.055 -6.486 5.943 1.00 0.00 H new ATOM 0 HB2 TYR A 115 -5.348 -4.429 3.814 1.00 0.00 H new ATOM 0 HB3 TYR A 115 -4.272 -5.688 4.387 1.00 0.00 H new ATOM 0 HD1 TYR A 115 -7.535 -5.137 2.665 1.00 0.00 H new ATOM 0 HD2 TYR A 115 -4.372 -7.879 3.463 1.00 0.00 H new ATOM 0 HE1 TYR A 115 -8.456 -6.686 0.995 1.00 0.00 H new ATOM 0 HE2 TYR A 115 -5.291 -9.427 1.793 1.00 0.00 H new ATOM 0 HH TYR A 115 -7.135 -8.754 -0.534 1.00 0.00 H new ATOM 1693 N PHE A 116 -5.756 -3.287 6.566 1.00 0.00 N ATOM 1694 CA PHE A 116 -5.168 -2.313 7.477 1.00 0.00 C ATOM 1695 C PHE A 116 -6.048 -1.073 7.590 1.00 0.00 C ATOM 1696 O PHE A 116 -6.360 -0.428 6.589 1.00 0.00 O ATOM 1697 CB PHE A 116 -3.769 -1.919 7.000 1.00 0.00 C ATOM 1698 CG PHE A 116 -3.754 -1.287 5.642 1.00 0.00 C ATOM 1699 CD1 PHE A 116 -3.732 -2.075 4.504 1.00 0.00 C ATOM 1700 CD2 PHE A 116 -3.757 0.090 5.502 1.00 0.00 C ATOM 1701 CE1 PHE A 116 -3.715 -1.501 3.249 1.00 0.00 C ATOM 1702 CE2 PHE A 116 -3.739 0.671 4.250 1.00 0.00 C ATOM 1703 CZ PHE A 116 -3.717 -0.127 3.123 1.00 0.00 C ATOM 0 H PHE A 116 -6.479 -2.909 5.954 1.00 0.00 H new ATOM 0 HA PHE A 116 -5.093 -2.773 8.462 1.00 0.00 H new ATOM 0 HB2 PHE A 116 -3.331 -1.226 7.719 1.00 0.00 H new ATOM 0 HB3 PHE A 116 -3.136 -2.806 6.986 1.00 0.00 H new ATOM 0 HD1 PHE A 116 -3.728 -3.151 4.599 1.00 0.00 H new ATOM 0 HD2 PHE A 116 -3.774 0.716 6.382 1.00 0.00 H new ATOM 0 HE1 PHE A 116 -3.700 -2.126 2.368 1.00 0.00 H new ATOM 0 HE2 PHE A 116 -3.742 1.747 4.152 1.00 0.00 H new ATOM 0 HZ PHE A 116 -3.701 0.325 2.142 1.00 0.00 H new ATOM 1713 N GLN A 117 -6.445 -0.745 8.815 1.00 0.00 N ATOM 1714 CA GLN A 117 -7.290 0.418 9.060 1.00 0.00 C ATOM 1715 C GLN A 117 -6.573 1.704 8.660 1.00 0.00 C ATOM 1716 O GLN A 117 -5.486 2.001 9.157 1.00 0.00 O ATOM 1717 CB GLN A 117 -7.693 0.482 10.534 1.00 0.00 C ATOM 1718 CG GLN A 117 -8.645 1.622 10.855 1.00 0.00 C ATOM 1719 CD GLN A 117 -9.882 1.613 9.979 1.00 0.00 C ATOM 1720 OE1 GLN A 117 -10.742 0.741 10.107 1.00 0.00 O ATOM 1721 NE2 GLN A 117 -9.979 2.587 9.082 1.00 0.00 N ATOM 0 H GLN A 117 -6.195 -1.268 9.654 1.00 0.00 H new ATOM 0 HA GLN A 117 -8.188 0.318 8.450 1.00 0.00 H new ATOM 0 HB2 GLN A 117 -8.161 -0.461 10.815 1.00 0.00 H new ATOM 0 HB3 GLN A 117 -6.795 0.587 11.143 1.00 0.00 H new ATOM 0 HG2 GLN A 117 -8.945 1.557 11.901 1.00 0.00 H new ATOM 0 HG3 GLN A 117 -8.124 2.571 10.732 1.00 0.00 H new ATOM 0 HE21 GLN A 117 -9.243 3.289 9.010 1.00 0.00 H new ATOM 0 HE22 GLN A 117 -10.790 2.633 8.465 1.00 0.00 H new ATOM 1730 N CYS A 118 -7.189 2.464 7.761 1.00 0.00 N ATOM 1731 CA CYS A 118 -6.611 3.719 7.296 1.00 0.00 C ATOM 1732 C CYS A 118 -7.699 4.677 6.820 1.00 0.00 C ATOM 1733 O CYS A 118 -8.863 4.297 6.698 1.00 0.00 O ATOM 1734 CB CYS A 118 -5.616 3.457 6.163 1.00 0.00 C ATOM 1735 SG CYS A 118 -6.318 2.566 4.756 1.00 0.00 S ATOM 0 H CYS A 118 -8.089 2.233 7.340 1.00 0.00 H new ATOM 0 HA CYS A 118 -6.087 4.180 8.133 1.00 0.00 H new ATOM 0 HB2 CYS A 118 -5.220 4.411 5.814 1.00 0.00 H new ATOM 0 HB3 CYS A 118 -4.775 2.887 6.557 1.00 0.00 H new ATOM 0 HG CYS A 118 -5.554 1.558 4.456 1.00 0.00 H new ATOM 1741 N GLU A 119 -7.312 5.921 6.556 1.00 0.00 N ATOM 1742 CA GLU A 119 -8.255 6.932 6.094 1.00 0.00 C ATOM 1743 C GLU A 119 -8.608 6.718 4.625 1.00 0.00 C ATOM 1744 O GLU A 119 -7.785 6.240 3.844 1.00 0.00 O ATOM 1745 CB GLU A 119 -7.670 8.332 6.293 1.00 0.00 C ATOM 1746 CG GLU A 119 -7.530 8.730 7.753 1.00 0.00 C ATOM 1747 CD GLU A 119 -8.867 9.003 8.414 1.00 0.00 C ATOM 1748 OE1 GLU A 119 -9.827 9.346 7.693 1.00 0.00 O ATOM 1749 OE2 GLU A 119 -8.954 8.873 9.653 1.00 0.00 O ATOM 0 H GLU A 119 -6.352 6.252 6.654 1.00 0.00 H new ATOM 0 HA GLU A 119 -9.167 6.839 6.684 1.00 0.00 H new ATOM 0 HB2 GLU A 119 -6.691 8.379 5.817 1.00 0.00 H new ATOM 0 HB3 GLU A 119 -8.306 9.058 5.786 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -7.017 7.936 8.295 1.00 0.00 H new ATOM 0 HG3 GLU A 119 -6.905 9.620 7.825 1.00 0.00 H new ATOM 1756 N PRO A 120 -9.843 7.071 4.226 1.00 0.00 N ATOM 1757 CA PRO A 120 -10.301 6.915 2.841 1.00 0.00 C ATOM 1758 C PRO A 120 -9.396 7.634 1.847 1.00 0.00 C ATOM 1759 O PRO A 120 -8.889 8.720 2.127 1.00 0.00 O ATOM 1760 CB PRO A 120 -11.696 7.547 2.848 1.00 0.00 C ATOM 1761 CG PRO A 120 -12.135 7.493 4.270 1.00 0.00 C ATOM 1762 CD PRO A 120 -10.888 7.648 5.091 1.00 0.00 C ATOM 0 HA PRO A 120 -10.296 5.871 2.528 1.00 0.00 H new ATOM 0 HB2 PRO A 120 -11.666 8.573 2.483 1.00 0.00 H new ATOM 0 HB3 PRO A 120 -12.381 6.998 2.202 1.00 0.00 H new ATOM 0 HG2 PRO A 120 -12.848 8.288 4.489 1.00 0.00 H new ATOM 0 HG3 PRO A 120 -12.633 6.548 4.490 1.00 0.00 H new ATOM 0 HD2 PRO A 120 -10.686 8.694 5.324 1.00 0.00 H new ATOM 0 HD3 PRO A 120 -10.963 7.119 6.041 1.00 0.00 H new ATOM 1770 N LEU A 121 -9.199 7.022 0.683 1.00 0.00 N ATOM 1771 CA LEU A 121 -8.357 7.604 -0.355 1.00 0.00 C ATOM 1772 C LEU A 121 -6.935 7.820 0.153 1.00 0.00 C ATOM 1773 O LEU A 121 -6.287 8.811 -0.186 1.00 0.00 O ATOM 1774 CB LEU A 121 -8.946 8.932 -0.834 1.00 0.00 C ATOM 1775 CG LEU A 121 -10.449 8.908 -1.121 1.00 0.00 C ATOM 1776 CD1 LEU A 121 -11.023 10.315 -1.074 1.00 0.00 C ATOM 1777 CD2 LEU A 121 -10.723 8.262 -2.471 1.00 0.00 C ATOM 0 H LEU A 121 -9.612 6.123 0.436 1.00 0.00 H new ATOM 0 HA LEU A 121 -8.322 6.906 -1.192 1.00 0.00 H new ATOM 0 HB2 LEU A 121 -8.748 9.693 -0.079 1.00 0.00 H new ATOM 0 HB3 LEU A 121 -8.423 9.238 -1.740 1.00 0.00 H new ATOM 0 HG LEU A 121 -10.938 8.313 -0.350 1.00 0.00 H new ATOM 0 HD11 LEU A 121 -12.093 10.279 -1.280 1.00 0.00 H new ATOM 0 HD12 LEU A 121 -10.859 10.742 -0.085 1.00 0.00 H new ATOM 0 HD13 LEU A 121 -10.530 10.934 -1.823 1.00 0.00 H new ATOM 0 HD21 LEU A 121 -11.797 8.253 -2.659 1.00 0.00 H new ATOM 0 HD22 LEU A 121 -10.222 8.830 -3.255 1.00 0.00 H new ATOM 0 HD23 LEU A 121 -10.347 7.239 -2.468 1.00 0.00 H new ATOM 1789 N LYS A 122 -6.454 6.885 0.967 1.00 0.00 N ATOM 1790 CA LYS A 122 -5.108 6.974 1.520 1.00 0.00 C ATOM 1791 C LYS A 122 -4.382 5.637 1.406 1.00 0.00 C ATOM 1792 O LYS A 122 -3.230 5.579 0.977 1.00 0.00 O ATOM 1793 CB LYS A 122 -5.163 7.415 2.984 1.00 0.00 C ATOM 1794 CG LYS A 122 -6.023 8.647 3.217 1.00 0.00 C ATOM 1795 CD LYS A 122 -5.254 9.739 3.944 1.00 0.00 C ATOM 1796 CE LYS A 122 -5.800 11.119 3.616 1.00 0.00 C ATOM 1797 NZ LYS A 122 -5.847 11.998 4.817 1.00 0.00 N ATOM 0 H LYS A 122 -6.976 6.058 1.258 1.00 0.00 H new ATOM 0 HA LYS A 122 -4.555 7.717 0.945 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -5.549 6.594 3.588 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -4.150 7.618 3.332 1.00 0.00 H new ATOM 0 HG2 LYS A 122 -6.380 9.028 2.260 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -6.903 8.372 3.799 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -5.310 9.571 5.019 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -4.201 9.689 3.668 1.00 0.00 H new ATOM 0 HE2 LYS A 122 -5.178 11.583 2.851 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -6.802 11.023 3.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -6.225 12.930 4.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -6.461 11.568 5.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -4.888 12.111 5.202 1.00 0.00 H new ATOM 1811 N GLY A 123 -5.065 4.565 1.794 1.00 0.00 N ATOM 1812 CA GLY A 123 -4.470 3.243 1.727 1.00 0.00 C ATOM 1813 C GLY A 123 -4.585 2.622 0.349 1.00 0.00 C ATOM 1814 O GLY A 123 -5.680 2.276 -0.093 1.00 0.00 O ATOM 0 H GLY A 123 -6.019 4.588 2.153 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -3.418 3.307 2.006 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -4.954 2.593 2.456 1.00 0.00 H new ATOM 1818 N ILE A 124 -3.451 2.482 -0.332 1.00 0.00 N ATOM 1819 CA ILE A 124 -3.429 1.900 -1.668 1.00 0.00 C ATOM 1820 C ILE A 124 -2.641 0.593 -1.684 1.00 0.00 C ATOM 1821 O ILE A 124 -1.699 0.416 -0.913 1.00 0.00 O ATOM 1822 CB ILE A 124 -2.815 2.876 -2.694 1.00 0.00 C ATOM 1823 CG1 ILE A 124 -2.896 2.290 -4.105 1.00 0.00 C ATOM 1824 CG2 ILE A 124 -1.374 3.197 -2.328 1.00 0.00 C ATOM 1825 CD1 ILE A 124 -2.686 3.316 -5.198 1.00 0.00 C ATOM 0 H ILE A 124 -2.536 2.764 0.020 1.00 0.00 H new ATOM 0 HA ILE A 124 -4.464 1.698 -1.946 1.00 0.00 H new ATOM 0 HB ILE A 124 -3.388 3.803 -2.675 1.00 0.00 H new ATOM 0 HG12 ILE A 124 -2.148 1.504 -4.207 1.00 0.00 H new ATOM 0 HG13 ILE A 124 -3.871 1.821 -4.240 1.00 0.00 H new ATOM 0 HG21 ILE A 124 -0.957 3.886 -3.062 1.00 0.00 H new ATOM 0 HG22 ILE A 124 -1.343 3.657 -1.340 1.00 0.00 H new ATOM 0 HG23 ILE A 124 -0.788 2.278 -2.319 1.00 0.00 H new ATOM 0 HD11 ILE A 124 -2.757 2.830 -6.171 1.00 0.00 H new ATOM 0 HD12 ILE A 124 -3.450 4.090 -5.122 1.00 0.00 H new ATOM 0 HD13 ILE A 124 -1.700 3.767 -5.089 1.00 0.00 H new ATOM 1837 N PHE A 125 -3.034 -0.318 -2.568 1.00 0.00 N ATOM 1838 CA PHE A 125 -2.365 -1.610 -2.684 1.00 0.00 C ATOM 1839 C PHE A 125 -1.409 -1.622 -3.873 1.00 0.00 C ATOM 1840 O PHE A 125 -1.832 -1.504 -5.023 1.00 0.00 O ATOM 1841 CB PHE A 125 -3.396 -2.732 -2.830 1.00 0.00 C ATOM 1842 CG PHE A 125 -3.584 -3.542 -1.579 1.00 0.00 C ATOM 1843 CD1 PHE A 125 -4.285 -3.026 -0.501 1.00 0.00 C ATOM 1844 CD2 PHE A 125 -3.059 -4.821 -1.482 1.00 0.00 C ATOM 1845 CE1 PHE A 125 -4.459 -3.769 0.650 1.00 0.00 C ATOM 1846 CE2 PHE A 125 -3.229 -5.569 -0.332 1.00 0.00 C ATOM 1847 CZ PHE A 125 -3.931 -5.043 0.735 1.00 0.00 C ATOM 0 H PHE A 125 -3.812 -0.186 -3.215 1.00 0.00 H new ATOM 0 HA PHE A 125 -1.787 -1.775 -1.775 1.00 0.00 H new ATOM 0 HB2 PHE A 125 -4.353 -2.299 -3.120 1.00 0.00 H new ATOM 0 HB3 PHE A 125 -3.088 -3.394 -3.639 1.00 0.00 H new ATOM 0 HD1 PHE A 125 -4.700 -2.031 -0.562 1.00 0.00 H new ATOM 0 HD2 PHE A 125 -2.511 -5.238 -2.314 1.00 0.00 H new ATOM 0 HE1 PHE A 125 -5.007 -3.355 1.483 1.00 0.00 H new ATOM 0 HE2 PHE A 125 -2.813 -6.564 -0.268 1.00 0.00 H new ATOM 0 HZ PHE A 125 -4.067 -5.626 1.634 1.00 0.00 H new ATOM 1857 N THR A 126 -0.119 -1.764 -3.586 1.00 0.00 N ATOM 1858 CA THR A 126 0.898 -1.793 -4.632 1.00 0.00 C ATOM 1859 C THR A 126 2.021 -2.758 -4.270 1.00 0.00 C ATOM 1860 O THR A 126 2.175 -3.139 -3.109 1.00 0.00 O ATOM 1861 CB THR A 126 1.465 -0.391 -4.858 1.00 0.00 C ATOM 1862 OG1 THR A 126 2.575 -0.435 -5.738 1.00 0.00 O ATOM 1863 CG2 THR A 126 1.918 0.286 -3.583 1.00 0.00 C ATOM 0 H THR A 126 0.247 -1.861 -2.639 1.00 0.00 H new ATOM 0 HA THR A 126 0.429 -2.140 -5.553 1.00 0.00 H new ATOM 0 HB THR A 126 0.644 0.186 -5.284 1.00 0.00 H new ATOM 0 HG1 THR A 126 2.923 0.471 -5.872 1.00 0.00 H new ATOM 0 HG21 THR A 126 2.309 1.276 -3.816 1.00 0.00 H new ATOM 0 HG22 THR A 126 1.073 0.381 -2.901 1.00 0.00 H new ATOM 0 HG23 THR A 126 2.699 -0.311 -3.112 1.00 0.00 H new ATOM 1871 N ARG A 127 2.804 -3.149 -5.270 1.00 0.00 N ATOM 1872 CA ARG A 127 3.914 -4.071 -5.055 1.00 0.00 C ATOM 1873 C ARG A 127 5.079 -3.368 -4.360 1.00 0.00 C ATOM 1874 O ARG A 127 5.360 -2.202 -4.632 1.00 0.00 O ATOM 1875 CB ARG A 127 4.380 -4.659 -6.389 1.00 0.00 C ATOM 1876 CG ARG A 127 3.504 -5.795 -6.893 1.00 0.00 C ATOM 1877 CD ARG A 127 3.911 -6.233 -8.290 1.00 0.00 C ATOM 1878 NE ARG A 127 3.415 -7.568 -8.611 1.00 0.00 N ATOM 1879 CZ ARG A 127 3.865 -8.684 -8.043 1.00 0.00 C ATOM 1880 NH1 ARG A 127 4.818 -8.628 -7.121 1.00 0.00 N ATOM 1881 NH2 ARG A 127 3.359 -9.858 -8.394 1.00 0.00 N ATOM 0 H ARG A 127 2.691 -2.842 -6.236 1.00 0.00 H new ATOM 0 HA ARG A 127 3.565 -4.879 -4.412 1.00 0.00 H new ATOM 0 HB2 ARG A 127 4.400 -3.867 -7.138 1.00 0.00 H new ATOM 0 HB3 ARG A 127 5.402 -5.021 -6.280 1.00 0.00 H new ATOM 0 HG2 ARG A 127 3.575 -6.641 -6.210 1.00 0.00 H new ATOM 0 HG3 ARG A 127 2.461 -5.477 -6.899 1.00 0.00 H new ATOM 0 HD2 ARG A 127 3.529 -5.519 -9.020 1.00 0.00 H new ATOM 0 HD3 ARG A 127 4.998 -6.221 -8.372 1.00 0.00 H new ATOM 0 HE ARG A 127 2.679 -7.650 -9.313 1.00 0.00 H new ATOM 0 HH11 ARG A 127 5.208 -7.727 -6.845 1.00 0.00 H new ATOM 0 HH12 ARG A 127 5.160 -9.486 -6.688 1.00 0.00 H new ATOM 0 HH21 ARG A 127 2.624 -9.906 -9.100 1.00 0.00 H new ATOM 0 HH22 ARG A 127 3.704 -10.713 -7.958 1.00 0.00 H new ATOM 1895 N PRO A 128 5.777 -4.071 -3.449 1.00 0.00 N ATOM 1896 CA PRO A 128 6.916 -3.502 -2.720 1.00 0.00 C ATOM 1897 C PRO A 128 7.999 -2.980 -3.657 1.00 0.00 C ATOM 1898 O PRO A 128 8.583 -1.922 -3.418 1.00 0.00 O ATOM 1899 CB PRO A 128 7.448 -4.681 -1.899 1.00 0.00 C ATOM 1900 CG PRO A 128 6.301 -5.626 -1.790 1.00 0.00 C ATOM 1901 CD PRO A 128 5.515 -5.469 -3.060 1.00 0.00 C ATOM 0 HA PRO A 128 6.620 -2.645 -2.115 1.00 0.00 H new ATOM 0 HB2 PRO A 128 8.301 -5.151 -2.390 1.00 0.00 H new ATOM 0 HB3 PRO A 128 7.786 -4.356 -0.915 1.00 0.00 H new ATOM 0 HG2 PRO A 128 6.650 -6.652 -1.671 1.00 0.00 H new ATOM 0 HG3 PRO A 128 5.687 -5.396 -0.920 1.00 0.00 H new ATOM 0 HD2 PRO A 128 5.846 -6.169 -3.827 1.00 0.00 H new ATOM 0 HD3 PRO A 128 4.452 -5.650 -2.900 1.00 0.00 H new ATOM 1909 N SER A 129 8.264 -3.729 -4.722 1.00 0.00 N ATOM 1910 CA SER A 129 9.279 -3.345 -5.697 1.00 0.00 C ATOM 1911 C SER A 129 8.969 -1.978 -6.304 1.00 0.00 C ATOM 1912 O SER A 129 9.873 -1.251 -6.714 1.00 0.00 O ATOM 1913 CB SER A 129 9.378 -4.399 -6.801 1.00 0.00 C ATOM 1914 OG SER A 129 10.537 -5.198 -6.642 1.00 0.00 O ATOM 0 H SER A 129 7.789 -4.607 -4.932 1.00 0.00 H new ATOM 0 HA SER A 129 10.236 -3.279 -5.180 1.00 0.00 H new ATOM 0 HB2 SER A 129 8.491 -5.032 -6.784 1.00 0.00 H new ATOM 0 HB3 SER A 129 9.401 -3.909 -7.774 1.00 0.00 H new ATOM 0 HG SER A 129 10.576 -5.865 -7.359 1.00 0.00 H new ATOM 1920 N LYS A 130 7.686 -1.636 -6.358 1.00 0.00 N ATOM 1921 CA LYS A 130 7.260 -0.358 -6.914 1.00 0.00 C ATOM 1922 C LYS A 130 7.581 0.787 -5.959 1.00 0.00 C ATOM 1923 O LYS A 130 7.767 1.928 -6.381 1.00 0.00 O ATOM 1924 CB LYS A 130 5.759 -0.382 -7.213 1.00 0.00 C ATOM 1925 CG LYS A 130 5.393 -1.231 -8.420 1.00 0.00 C ATOM 1926 CD LYS A 130 5.102 -0.372 -9.642 1.00 0.00 C ATOM 1927 CE LYS A 130 5.991 -0.752 -10.816 1.00 0.00 C ATOM 1928 NZ LYS A 130 5.550 -0.099 -12.080 1.00 0.00 N ATOM 0 H LYS A 130 6.924 -2.226 -6.024 1.00 0.00 H new ATOM 0 HA LYS A 130 7.806 -0.196 -7.843 1.00 0.00 H new ATOM 0 HB2 LYS A 130 5.229 -0.760 -6.339 1.00 0.00 H new ATOM 0 HB3 LYS A 130 5.414 0.638 -7.379 1.00 0.00 H new ATOM 0 HG2 LYS A 130 6.209 -1.918 -8.643 1.00 0.00 H new ATOM 0 HG3 LYS A 130 4.520 -1.840 -8.186 1.00 0.00 H new ATOM 0 HD2 LYS A 130 4.056 -0.484 -9.926 1.00 0.00 H new ATOM 0 HD3 LYS A 130 5.254 0.678 -9.394 1.00 0.00 H new ATOM 0 HE2 LYS A 130 7.020 -0.466 -10.600 1.00 0.00 H new ATOM 0 HE3 LYS A 130 5.981 -1.834 -10.944 1.00 0.00 H new ATOM 0 HZ1 LYS A 130 6.181 -0.383 -12.856 1.00 0.00 H new ATOM 0 HZ2 LYS A 130 4.577 -0.391 -12.301 1.00 0.00 H new ATOM 0 HZ3 LYS A 130 5.584 0.934 -11.967 1.00 0.00 H new ATOM 1942 N LEU A 131 7.648 0.474 -4.668 1.00 0.00 N ATOM 1943 CA LEU A 131 7.949 1.475 -3.654 1.00 0.00 C ATOM 1944 C LEU A 131 9.414 1.894 -3.720 1.00 0.00 C ATOM 1945 O LEU A 131 10.288 1.084 -4.032 1.00 0.00 O ATOM 1946 CB LEU A 131 7.623 0.933 -2.260 1.00 0.00 C ATOM 1947 CG LEU A 131 6.343 0.100 -2.168 1.00 0.00 C ATOM 1948 CD1 LEU A 131 6.060 -0.285 -0.725 1.00 0.00 C ATOM 1949 CD2 LEU A 131 5.167 0.863 -2.758 1.00 0.00 C ATOM 0 H LEU A 131 7.498 -0.466 -4.301 1.00 0.00 H new ATOM 0 HA LEU A 131 7.331 2.351 -3.850 1.00 0.00 H new ATOM 0 HB2 LEU A 131 8.460 0.323 -1.920 1.00 0.00 H new ATOM 0 HB3 LEU A 131 7.541 1.774 -1.571 1.00 0.00 H new ATOM 0 HG LEU A 131 6.484 -0.814 -2.746 1.00 0.00 H new ATOM 0 HD11 LEU A 131 5.146 -0.877 -0.679 1.00 0.00 H new ATOM 0 HD12 LEU A 131 6.892 -0.871 -0.335 1.00 0.00 H new ATOM 0 HD13 LEU A 131 5.939 0.617 -0.125 1.00 0.00 H new ATOM 0 HD21 LEU A 131 4.265 0.255 -2.684 1.00 0.00 H new ATOM 0 HD22 LEU A 131 5.024 1.793 -2.208 1.00 0.00 H new ATOM 0 HD23 LEU A 131 5.368 1.088 -3.805 1.00 0.00 H new ATOM 1961 N THR A 132 9.675 3.163 -3.424 1.00 0.00 N ATOM 1962 CA THR A 132 11.036 3.689 -3.451 1.00 0.00 C ATOM 1963 C THR A 132 11.339 4.481 -2.183 1.00 0.00 C ATOM 1964 O THR A 132 10.443 5.065 -1.574 1.00 0.00 O ATOM 1965 CB THR A 132 11.238 4.576 -4.680 1.00 0.00 C ATOM 1966 OG1 THR A 132 10.477 5.766 -4.570 1.00 0.00 O ATOM 1967 CG2 THR A 132 10.848 3.900 -5.978 1.00 0.00 C ATOM 0 H THR A 132 8.964 3.846 -3.163 1.00 0.00 H new ATOM 0 HA THR A 132 11.724 2.845 -3.504 1.00 0.00 H new ATOM 0 HB THR A 132 12.306 4.791 -4.708 1.00 0.00 H new ATOM 0 HG1 THR A 132 10.882 6.466 -5.124 1.00 0.00 H new ATOM 0 HG21 THR A 132 11.016 4.584 -6.810 1.00 0.00 H new ATOM 0 HG22 THR A 132 11.453 3.004 -6.118 1.00 0.00 H new ATOM 0 HG23 THR A 132 9.794 3.624 -5.942 1.00 0.00 H new ATOM 1975 N ARG A 133 12.609 4.494 -1.790 1.00 0.00 N ATOM 1976 CA ARG A 133 13.031 5.214 -0.594 1.00 0.00 C ATOM 1977 C ARG A 133 13.279 6.688 -0.906 1.00 0.00 C ATOM 1978 O ARG A 133 14.247 7.035 -1.582 1.00 0.00 O ATOM 1979 CB ARG A 133 14.298 4.580 -0.013 1.00 0.00 C ATOM 1980 CG ARG A 133 14.170 4.202 1.453 1.00 0.00 C ATOM 1981 CD ARG A 133 15.477 4.410 2.199 1.00 0.00 C ATOM 1982 NE ARG A 133 15.282 4.461 3.646 1.00 0.00 N ATOM 1983 CZ ARG A 133 15.079 3.385 4.404 1.00 0.00 C ATOM 1984 NH1 ARG A 133 15.045 2.176 3.858 1.00 0.00 N ATOM 1985 NH2 ARG A 133 14.911 3.520 5.713 1.00 0.00 N ATOM 0 H ARG A 133 13.363 4.015 -2.282 1.00 0.00 H new ATOM 0 HA ARG A 133 12.231 5.148 0.143 1.00 0.00 H new ATOM 0 HB2 ARG A 133 14.546 3.689 -0.589 1.00 0.00 H new ATOM 0 HB3 ARG A 133 15.129 5.276 -0.129 1.00 0.00 H new ATOM 0 HG2 ARG A 133 13.386 4.801 1.917 1.00 0.00 H new ATOM 0 HG3 ARG A 133 13.865 3.159 1.535 1.00 0.00 H new ATOM 0 HD2 ARG A 133 16.166 3.601 1.955 1.00 0.00 H new ATOM 0 HD3 ARG A 133 15.942 5.337 1.863 1.00 0.00 H new ATOM 0 HE ARG A 133 15.303 5.373 4.102 1.00 0.00 H new ATOM 0 HH11 ARG A 133 15.175 2.067 2.852 1.00 0.00 H new ATOM 0 HH12 ARG A 133 14.889 1.356 4.444 1.00 0.00 H new ATOM 0 HH21 ARG A 133 14.937 4.447 6.138 1.00 0.00 H new ATOM 0 HH22 ARG A 133 14.755 2.697 6.295 1.00 0.00 H new ATOM 1999 N LYS A 134 12.397 7.548 -0.408 1.00 0.00 N ATOM 2000 CA LYS A 134 12.520 8.984 -0.632 1.00 0.00 C ATOM 2001 C LYS A 134 12.473 9.309 -2.123 1.00 0.00 C ATOM 2002 O LYS A 134 12.670 8.432 -2.965 1.00 0.00 O ATOM 2003 CB LYS A 134 13.823 9.507 -0.023 1.00 0.00 C ATOM 2004 CG LYS A 134 13.610 10.501 1.107 1.00 0.00 C ATOM 2005 CD LYS A 134 13.102 9.815 2.364 1.00 0.00 C ATOM 2006 CE LYS A 134 13.544 10.553 3.618 1.00 0.00 C ATOM 2007 NZ LYS A 134 13.068 9.877 4.857 1.00 0.00 N ATOM 0 H LYS A 134 11.590 7.276 0.153 1.00 0.00 H new ATOM 0 HA LYS A 134 11.678 9.476 -0.146 1.00 0.00 H new ATOM 0 HB2 LYS A 134 14.404 8.664 0.351 1.00 0.00 H new ATOM 0 HB3 LYS A 134 14.416 9.981 -0.806 1.00 0.00 H new ATOM 0 HG2 LYS A 134 14.548 11.013 1.324 1.00 0.00 H new ATOM 0 HG3 LYS A 134 12.896 11.263 0.793 1.00 0.00 H new ATOM 0 HD2 LYS A 134 12.014 9.762 2.336 1.00 0.00 H new ATOM 0 HD3 LYS A 134 13.471 8.790 2.395 1.00 0.00 H new ATOM 0 HE2 LYS A 134 14.632 10.619 3.636 1.00 0.00 H new ATOM 0 HE3 LYS A 134 13.163 11.574 3.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 134 13.390 10.411 5.689 1.00 0.00 H new ATOM 0 HZ2 LYS A 134 12.029 9.836 4.853 1.00 0.00 H new ATOM 0 HZ3 LYS A 134 13.452 8.911 4.895 1.00 0.00 H new