USER MOD reduce.3.24.130724 H: found=0, std=0, add=552, rem=0, adj=9 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) USER MOD Single : A 76 ASN : amide:sc= -1.45 K(o=-1.5,f=-7.6!) USER MOD Single : A 77 LYS NZ :NH3+ 157:sc= -0.329 (180deg=-1.09) USER MOD Single : A 82 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 87 THR OG1 : rot -14:sc= -0.209 USER MOD Single : A 88 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 93 GLN : amide:sc= -1.26 K(o=-1.3,f=-0.42) USER MOD Single : A 105 LYS NZ :NH3+ 150:sc= 0.49 (180deg=-0.602) USER MOD Single : A 106 ASN : amide:sc= -0.0187 X(o=-0.019,f=0) USER MOD Single : A 109 SER OG : rot 3:sc= -0.648 USER MOD Single : A 115 TYR OH : rot -122:sc= 0.778! USER MOD Single : A 117 GLN : amide:sc= -0.389 X(o=-0.39,f=-0.4) USER MOD Single : A 118 CYS SG : rot -134:sc= -0.646 USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 126 THR OG1 : rot -90:sc= -0.297 USER MOD Single : A 129 SER OG : rot 180:sc= -1.44 USER MOD Single : A 130 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 132 THR OG1 : rot 168:sc= -1.51 USER MOD Single : A 134 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 915 N PHE A 65 10.927 -4.349 3.274 1.00 0.00 N ATOM 916 CA PHE A 65 9.846 -3.457 3.678 1.00 0.00 C ATOM 917 C PHE A 65 9.183 -3.952 4.959 1.00 0.00 C ATOM 918 O PHE A 65 8.763 -5.105 5.046 1.00 0.00 O ATOM 919 CB PHE A 65 8.806 -3.344 2.562 1.00 0.00 C ATOM 920 CG PHE A 65 9.278 -2.546 1.380 1.00 0.00 C ATOM 921 CD1 PHE A 65 9.432 -1.172 1.472 1.00 0.00 C ATOM 922 CD2 PHE A 65 9.568 -3.170 0.177 1.00 0.00 C ATOM 923 CE1 PHE A 65 9.866 -0.435 0.386 1.00 0.00 C ATOM 924 CE2 PHE A 65 10.003 -2.438 -0.911 1.00 0.00 C ATOM 925 CZ PHE A 65 10.152 -1.070 -0.807 1.00 0.00 C ATOM 0 HA PHE A 65 10.273 -2.472 3.868 1.00 0.00 H new ATOM 0 HB2 PHE A 65 8.533 -4.345 2.228 1.00 0.00 H new ATOM 0 HB3 PHE A 65 7.903 -2.884 2.963 1.00 0.00 H new ATOM 0 HD1 PHE A 65 9.210 -0.671 2.403 1.00 0.00 H new ATOM 0 HD2 PHE A 65 9.453 -4.240 0.089 1.00 0.00 H new ATOM 0 HE1 PHE A 65 9.981 0.636 0.470 1.00 0.00 H new ATOM 0 HE2 PHE A 65 10.226 -2.936 -1.843 1.00 0.00 H new ATOM 0 HZ PHE A 65 10.492 -0.497 -1.657 1.00 0.00 H new ATOM 935 N ARG A 66 9.092 -3.071 5.951 1.00 0.00 N ATOM 936 CA ARG A 66 8.480 -3.418 7.228 1.00 0.00 C ATOM 937 C ARG A 66 7.270 -2.532 7.510 1.00 0.00 C ATOM 938 O ARG A 66 7.012 -1.568 6.789 1.00 0.00 O ATOM 939 CB ARG A 66 9.503 -3.287 8.359 1.00 0.00 C ATOM 940 CG ARG A 66 9.581 -4.516 9.253 1.00 0.00 C ATOM 941 CD ARG A 66 8.778 -4.330 10.532 1.00 0.00 C ATOM 942 NE ARG A 66 9.629 -4.352 11.719 1.00 0.00 N ATOM 943 CZ ARG A 66 10.144 -5.463 12.241 1.00 0.00 C ATOM 944 NH1 ARG A 66 9.897 -6.643 11.685 1.00 0.00 N ATOM 945 NH2 ARG A 66 10.907 -5.394 13.323 1.00 0.00 N ATOM 0 H ARG A 66 9.434 -2.112 5.894 1.00 0.00 H new ATOM 0 HA ARG A 66 8.142 -4.453 7.173 1.00 0.00 H new ATOM 0 HB2 ARG A 66 10.486 -3.098 7.929 1.00 0.00 H new ATOM 0 HB3 ARG A 66 9.250 -2.420 8.969 1.00 0.00 H new ATOM 0 HG2 ARG A 66 9.207 -5.385 8.711 1.00 0.00 H new ATOM 0 HG3 ARG A 66 10.622 -4.719 9.503 1.00 0.00 H new ATOM 0 HD2 ARG A 66 8.241 -3.383 10.488 1.00 0.00 H new ATOM 0 HD3 ARG A 66 8.029 -5.118 10.608 1.00 0.00 H new ATOM 0 HE ARG A 66 9.841 -3.464 12.174 1.00 0.00 H new ATOM 0 HH11 ARG A 66 9.310 -6.702 10.853 1.00 0.00 H new ATOM 0 HH12 ARG A 66 10.295 -7.491 12.090 1.00 0.00 H new ATOM 0 HH21 ARG A 66 11.099 -4.490 13.755 1.00 0.00 H new ATOM 0 HH22 ARG A 66 11.302 -6.245 13.724 1.00 0.00 H new ATOM 959 N VAL A 67 6.533 -2.864 8.564 1.00 0.00 N ATOM 960 CA VAL A 67 5.351 -2.099 8.942 1.00 0.00 C ATOM 961 C VAL A 67 5.729 -0.874 9.768 1.00 0.00 C ATOM 962 O VAL A 67 6.341 -0.993 10.829 1.00 0.00 O ATOM 963 CB VAL A 67 4.359 -2.959 9.747 1.00 0.00 C ATOM 964 CG1 VAL A 67 3.052 -2.210 9.958 1.00 0.00 C ATOM 965 CG2 VAL A 67 4.114 -4.288 9.048 1.00 0.00 C ATOM 0 H VAL A 67 6.733 -3.658 9.172 1.00 0.00 H new ATOM 0 HA VAL A 67 4.874 -1.777 8.016 1.00 0.00 H new ATOM 0 HB VAL A 67 4.795 -3.165 10.725 1.00 0.00 H new ATOM 0 HG11 VAL A 67 2.363 -2.833 10.529 1.00 0.00 H new ATOM 0 HG12 VAL A 67 3.246 -1.288 10.506 1.00 0.00 H new ATOM 0 HG13 VAL A 67 2.609 -1.972 8.991 1.00 0.00 H new ATOM 0 HG21 VAL A 67 3.411 -4.882 9.632 1.00 0.00 H new ATOM 0 HG22 VAL A 67 3.700 -4.107 8.056 1.00 0.00 H new ATOM 0 HG23 VAL A 67 5.056 -4.829 8.955 1.00 0.00 H new ATOM 975 N GLY A 68 5.361 0.303 9.273 1.00 0.00 N ATOM 976 CA GLY A 68 5.670 1.533 9.979 1.00 0.00 C ATOM 977 C GLY A 68 6.811 2.298 9.340 1.00 0.00 C ATOM 978 O GLY A 68 7.540 3.022 10.018 1.00 0.00 O ATOM 0 H GLY A 68 4.855 0.427 8.396 1.00 0.00 H new ATOM 0 HA2 GLY A 68 4.783 2.166 10.006 1.00 0.00 H new ATOM 0 HA3 GLY A 68 5.927 1.300 11.012 1.00 0.00 H new ATOM 982 N GLU A 69 6.969 2.139 8.029 1.00 0.00 N ATOM 983 CA GLU A 69 8.031 2.820 7.297 1.00 0.00 C ATOM 984 C GLU A 69 7.454 3.686 6.181 1.00 0.00 C ATOM 985 O GLU A 69 6.374 3.406 5.660 1.00 0.00 O ATOM 986 CB GLU A 69 9.011 1.801 6.714 1.00 0.00 C ATOM 987 CG GLU A 69 9.863 1.106 7.764 1.00 0.00 C ATOM 988 CD GLU A 69 11.340 1.417 7.620 1.00 0.00 C ATOM 989 OE1 GLU A 69 11.978 0.856 6.705 1.00 0.00 O ATOM 990 OE2 GLU A 69 11.858 2.223 8.421 1.00 0.00 O ATOM 0 H GLU A 69 6.374 1.544 7.452 1.00 0.00 H new ATOM 0 HA GLU A 69 8.563 3.467 7.995 1.00 0.00 H new ATOM 0 HB2 GLU A 69 8.452 1.050 6.156 1.00 0.00 H new ATOM 0 HB3 GLU A 69 9.665 2.305 6.002 1.00 0.00 H new ATOM 0 HG2 GLU A 69 9.528 1.408 8.756 1.00 0.00 H new ATOM 0 HG3 GLU A 69 9.714 0.029 7.692 1.00 0.00 H new ATOM 997 N ARG A 70 8.181 4.737 5.819 1.00 0.00 N ATOM 998 CA ARG A 70 7.743 5.644 4.764 1.00 0.00 C ATOM 999 C ARG A 70 8.221 5.160 3.398 1.00 0.00 C ATOM 1000 O ARG A 70 9.421 5.038 3.158 1.00 0.00 O ATOM 1001 CB ARG A 70 8.265 7.057 5.029 1.00 0.00 C ATOM 1002 CG ARG A 70 7.432 8.147 4.370 1.00 0.00 C ATOM 1003 CD ARG A 70 6.585 8.894 5.388 1.00 0.00 C ATOM 1004 NE ARG A 70 7.404 9.662 6.323 1.00 0.00 N ATOM 1005 CZ ARG A 70 8.021 10.799 6.007 1.00 0.00 C ATOM 1006 NH1 ARG A 70 7.913 11.302 4.784 1.00 0.00 N ATOM 1007 NH2 ARG A 70 8.748 11.433 6.917 1.00 0.00 N ATOM 0 H ARG A 70 9.077 4.982 6.241 1.00 0.00 H new ATOM 0 HA ARG A 70 6.653 5.661 4.762 1.00 0.00 H new ATOM 0 HB2 ARG A 70 8.290 7.230 6.105 1.00 0.00 H new ATOM 0 HB3 ARG A 70 9.292 7.129 4.671 1.00 0.00 H new ATOM 0 HG2 ARG A 70 8.090 8.849 3.857 1.00 0.00 H new ATOM 0 HG3 ARG A 70 6.786 7.704 3.612 1.00 0.00 H new ATOM 0 HD2 ARG A 70 5.902 9.566 4.868 1.00 0.00 H new ATOM 0 HD3 ARG A 70 5.973 8.183 5.942 1.00 0.00 H new ATOM 0 HE ARG A 70 7.509 9.306 7.273 1.00 0.00 H new ATOM 0 HH11 ARG A 70 7.355 10.817 4.081 1.00 0.00 H new ATOM 0 HH12 ARG A 70 8.388 12.173 4.547 1.00 0.00 H new ATOM 0 HH21 ARG A 70 8.834 11.050 7.858 1.00 0.00 H new ATOM 0 HH22 ARG A 70 9.221 12.304 6.676 1.00 0.00 H new ATOM 1021 N VAL A 71 7.273 4.888 2.508 1.00 0.00 N ATOM 1022 CA VAL A 71 7.596 4.419 1.165 1.00 0.00 C ATOM 1023 C VAL A 71 6.953 5.304 0.104 1.00 0.00 C ATOM 1024 O VAL A 71 6.055 6.092 0.398 1.00 0.00 O ATOM 1025 CB VAL A 71 7.138 2.964 0.952 1.00 0.00 C ATOM 1026 CG1 VAL A 71 8.077 1.998 1.658 1.00 0.00 C ATOM 1027 CG2 VAL A 71 5.707 2.777 1.437 1.00 0.00 C ATOM 0 H VAL A 71 6.274 4.984 2.692 1.00 0.00 H new ATOM 0 HA VAL A 71 8.680 4.468 1.066 1.00 0.00 H new ATOM 0 HB VAL A 71 7.167 2.747 -0.116 1.00 0.00 H new ATOM 0 HG11 VAL A 71 7.736 0.975 1.496 1.00 0.00 H new ATOM 0 HG12 VAL A 71 9.085 2.113 1.259 1.00 0.00 H new ATOM 0 HG13 VAL A 71 8.084 2.213 2.727 1.00 0.00 H new ATOM 0 HG21 VAL A 71 5.401 1.743 1.278 1.00 0.00 H new ATOM 0 HG22 VAL A 71 5.649 3.013 2.499 1.00 0.00 H new ATOM 0 HG23 VAL A 71 5.045 3.441 0.881 1.00 0.00 H new ATOM 1037 N TRP A 72 7.420 5.168 -1.134 1.00 0.00 N ATOM 1038 CA TRP A 72 6.891 5.957 -2.241 1.00 0.00 C ATOM 1039 C TRP A 72 6.178 5.065 -3.254 1.00 0.00 C ATOM 1040 O TRP A 72 6.819 4.375 -4.046 1.00 0.00 O ATOM 1041 CB TRP A 72 8.018 6.726 -2.933 1.00 0.00 C ATOM 1042 CG TRP A 72 8.237 8.097 -2.368 1.00 0.00 C ATOM 1043 CD1 TRP A 72 7.999 9.287 -2.994 1.00 0.00 C ATOM 1044 CD2 TRP A 72 8.740 8.418 -1.067 1.00 0.00 C ATOM 1045 NE1 TRP A 72 8.325 10.330 -2.160 1.00 0.00 N ATOM 1046 CE2 TRP A 72 8.781 9.823 -0.972 1.00 0.00 C ATOM 1047 CE3 TRP A 72 9.159 7.657 0.028 1.00 0.00 C ATOM 1048 CZ2 TRP A 72 9.225 10.479 0.173 1.00 0.00 C ATOM 1049 CZ3 TRP A 72 9.598 8.310 1.164 1.00 0.00 C ATOM 1050 CH2 TRP A 72 9.629 9.708 1.229 1.00 0.00 C ATOM 0 H TRP A 72 8.163 4.520 -1.395 1.00 0.00 H new ATOM 0 HA TRP A 72 6.170 6.666 -1.834 1.00 0.00 H new ATOM 0 HB2 TRP A 72 8.942 6.155 -2.849 1.00 0.00 H new ATOM 0 HB3 TRP A 72 7.791 6.811 -3.996 1.00 0.00 H new ATOM 0 HD1 TRP A 72 7.612 9.393 -3.997 1.00 0.00 H new ATOM 0 HE1 TRP A 72 8.241 11.320 -2.389 1.00 0.00 H new ATOM 0 HE3 TRP A 72 9.140 6.578 -0.013 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 9.250 11.557 0.226 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 9.923 7.732 2.016 1.00 0.00 H new ATOM 0 HH2 TRP A 72 9.979 10.188 2.131 1.00 0.00 H new ATOM 1061 N VAL A 73 4.850 5.087 -3.225 1.00 0.00 N ATOM 1062 CA VAL A 73 4.055 4.280 -4.144 1.00 0.00 C ATOM 1063 C VAL A 73 4.282 4.719 -5.587 1.00 0.00 C ATOM 1064 O VAL A 73 4.046 5.875 -5.939 1.00 0.00 O ATOM 1065 CB VAL A 73 2.550 4.369 -3.821 1.00 0.00 C ATOM 1066 CG1 VAL A 73 1.777 3.309 -4.589 1.00 0.00 C ATOM 1067 CG2 VAL A 73 2.314 4.234 -2.323 1.00 0.00 C ATOM 0 H VAL A 73 4.302 5.653 -2.577 1.00 0.00 H new ATOM 0 HA VAL A 73 4.380 3.247 -4.021 1.00 0.00 H new ATOM 0 HB VAL A 73 2.187 5.348 -4.133 1.00 0.00 H new ATOM 0 HG11 VAL A 73 0.717 3.387 -4.349 1.00 0.00 H new ATOM 0 HG12 VAL A 73 1.919 3.459 -5.659 1.00 0.00 H new ATOM 0 HG13 VAL A 73 2.141 2.320 -4.310 1.00 0.00 H new ATOM 0 HG21 VAL A 73 1.246 4.299 -2.116 1.00 0.00 H new ATOM 0 HG22 VAL A 73 2.692 3.271 -1.981 1.00 0.00 H new ATOM 0 HG23 VAL A 73 2.835 5.035 -1.799 1.00 0.00 H new ATOM 1077 N ASN A 74 4.746 3.791 -6.417 1.00 0.00 N ATOM 1078 CA ASN A 74 5.011 4.083 -7.822 1.00 0.00 C ATOM 1079 C ASN A 74 6.160 5.079 -7.968 1.00 0.00 C ATOM 1080 O ASN A 74 6.307 5.721 -9.009 1.00 0.00 O ATOM 1081 CB ASN A 74 3.752 4.634 -8.499 1.00 0.00 C ATOM 1082 CG ASN A 74 3.522 4.032 -9.871 1.00 0.00 C ATOM 1083 OD1 ASN A 74 3.756 4.678 -10.892 1.00 0.00 O ATOM 1084 ND2 ASN A 74 3.060 2.787 -9.902 1.00 0.00 N ATOM 0 H ASN A 74 4.947 2.830 -6.141 1.00 0.00 H new ATOM 0 HA ASN A 74 5.299 3.152 -8.310 1.00 0.00 H new ATOM 0 HB2 ASN A 74 2.886 4.434 -7.868 1.00 0.00 H new ATOM 0 HB3 ASN A 74 3.836 5.717 -8.590 1.00 0.00 H new ATOM 0 HD21 ASN A 74 2.886 2.330 -10.797 1.00 0.00 H new ATOM 0 HD22 ASN A 74 2.880 2.288 -9.031 1.00 0.00 H new ATOM 1091 N GLY A 75 6.975 5.200 -6.923 1.00 0.00 N ATOM 1092 CA GLY A 75 8.100 6.116 -6.960 1.00 0.00 C ATOM 1093 C GLY A 75 7.672 7.568 -7.065 1.00 0.00 C ATOM 1094 O GLY A 75 8.287 8.349 -7.790 1.00 0.00 O ATOM 0 H GLY A 75 6.875 4.679 -6.052 1.00 0.00 H new ATOM 0 HA2 GLY A 75 8.701 5.983 -6.060 1.00 0.00 H new ATOM 0 HA3 GLY A 75 8.737 5.867 -7.809 1.00 0.00 H new ATOM 1098 N ASN A 76 6.619 7.931 -6.339 1.00 0.00 N ATOM 1099 CA ASN A 76 6.115 9.301 -6.354 1.00 0.00 C ATOM 1100 C ASN A 76 4.859 9.433 -5.496 1.00 0.00 C ATOM 1101 O ASN A 76 3.888 10.077 -5.893 1.00 0.00 O ATOM 1102 CB ASN A 76 5.813 9.745 -7.788 1.00 0.00 C ATOM 1103 CG ASN A 76 4.977 8.731 -8.544 1.00 0.00 C ATOM 1104 OD1 ASN A 76 4.496 7.754 -7.968 1.00 0.00 O ATOM 1105 ND2 ASN A 76 4.799 8.958 -9.839 1.00 0.00 N ATOM 0 H ASN A 76 6.098 7.297 -5.733 1.00 0.00 H new ATOM 0 HA ASN A 76 6.889 9.945 -5.936 1.00 0.00 H new ATOM 0 HB2 ASN A 76 5.289 10.700 -7.767 1.00 0.00 H new ATOM 0 HB3 ASN A 76 6.750 9.908 -8.320 1.00 0.00 H new ATOM 0 HD21 ASN A 76 4.245 8.310 -10.399 1.00 0.00 H new ATOM 0 HD22 ASN A 76 5.216 9.781 -10.275 1.00 0.00 H new ATOM 1112 N LYS A 77 4.885 8.818 -4.318 1.00 0.00 N ATOM 1113 CA LYS A 77 3.749 8.869 -3.405 1.00 0.00 C ATOM 1114 C LYS A 77 4.157 8.434 -1.999 1.00 0.00 C ATOM 1115 O LYS A 77 4.044 7.261 -1.646 1.00 0.00 O ATOM 1116 CB LYS A 77 2.619 7.974 -3.918 1.00 0.00 C ATOM 1117 CG LYS A 77 1.743 8.639 -4.968 1.00 0.00 C ATOM 1118 CD LYS A 77 0.383 7.966 -5.066 1.00 0.00 C ATOM 1119 CE LYS A 77 -0.306 8.295 -6.380 1.00 0.00 C ATOM 1120 NZ LYS A 77 0.552 7.973 -7.554 1.00 0.00 N ATOM 0 H LYS A 77 5.680 8.279 -3.974 1.00 0.00 H new ATOM 0 HA LYS A 77 3.398 9.900 -3.359 1.00 0.00 H new ATOM 0 HB2 LYS A 77 3.049 7.065 -4.339 1.00 0.00 H new ATOM 0 HB3 LYS A 77 1.996 7.671 -3.076 1.00 0.00 H new ATOM 0 HG2 LYS A 77 1.612 9.692 -4.720 1.00 0.00 H new ATOM 0 HG3 LYS A 77 2.241 8.599 -5.937 1.00 0.00 H new ATOM 0 HD2 LYS A 77 0.503 6.886 -4.977 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -0.244 8.287 -4.234 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -1.240 7.737 -6.449 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -0.565 9.354 -6.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -0.046 7.834 -8.393 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 1.213 8.757 -7.726 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 1.089 7.103 -7.363 1.00 0.00 H new ATOM 1134 N PRO A 78 4.640 9.380 -1.175 1.00 0.00 N ATOM 1135 CA PRO A 78 5.065 9.087 0.198 1.00 0.00 C ATOM 1136 C PRO A 78 3.896 8.696 1.096 1.00 0.00 C ATOM 1137 O PRO A 78 2.771 9.158 0.903 1.00 0.00 O ATOM 1138 CB PRO A 78 5.685 10.405 0.672 1.00 0.00 C ATOM 1139 CG PRO A 78 5.054 11.451 -0.180 1.00 0.00 C ATOM 1140 CD PRO A 78 4.807 10.805 -1.514 1.00 0.00 C ATOM 0 HA PRO A 78 5.751 8.241 0.238 1.00 0.00 H new ATOM 0 HB2 PRO A 78 5.482 10.580 1.729 1.00 0.00 H new ATOM 0 HB3 PRO A 78 6.768 10.398 0.552 1.00 0.00 H new ATOM 0 HG2 PRO A 78 4.122 11.804 0.261 1.00 0.00 H new ATOM 0 HG3 PRO A 78 5.707 12.318 -0.281 1.00 0.00 H new ATOM 0 HD2 PRO A 78 3.919 11.210 -1.999 1.00 0.00 H new ATOM 0 HD3 PRO A 78 5.642 10.961 -2.197 1.00 0.00 H new ATOM 1148 N GLY A 79 4.170 7.843 2.077 1.00 0.00 N ATOM 1149 CA GLY A 79 3.131 7.404 2.990 1.00 0.00 C ATOM 1150 C GLY A 79 3.672 6.545 4.115 1.00 0.00 C ATOM 1151 O GLY A 79 4.746 6.816 4.651 1.00 0.00 O ATOM 0 H GLY A 79 5.093 7.448 2.256 1.00 0.00 H new ATOM 0 HA2 GLY A 79 2.630 8.276 3.411 1.00 0.00 H new ATOM 0 HA3 GLY A 79 2.379 6.841 2.436 1.00 0.00 H new ATOM 1155 N PHE A 80 2.925 5.506 4.475 1.00 0.00 N ATOM 1156 CA PHE A 80 3.334 4.603 5.543 1.00 0.00 C ATOM 1157 C PHE A 80 2.779 3.201 5.312 1.00 0.00 C ATOM 1158 O PHE A 80 1.619 3.036 4.939 1.00 0.00 O ATOM 1159 CB PHE A 80 2.859 5.135 6.898 1.00 0.00 C ATOM 1160 CG PHE A 80 3.651 6.312 7.392 1.00 0.00 C ATOM 1161 CD1 PHE A 80 4.971 6.161 7.784 1.00 0.00 C ATOM 1162 CD2 PHE A 80 3.073 7.570 7.466 1.00 0.00 C ATOM 1163 CE1 PHE A 80 5.701 7.242 8.240 1.00 0.00 C ATOM 1164 CE2 PHE A 80 3.798 8.655 7.921 1.00 0.00 C ATOM 1165 CZ PHE A 80 5.114 8.490 8.309 1.00 0.00 C ATOM 0 H PHE A 80 2.032 5.269 4.042 1.00 0.00 H new ATOM 0 HA PHE A 80 4.423 4.548 5.542 1.00 0.00 H new ATOM 0 HB2 PHE A 80 1.810 5.420 6.820 1.00 0.00 H new ATOM 0 HB3 PHE A 80 2.917 4.334 7.634 1.00 0.00 H new ATOM 0 HD1 PHE A 80 5.435 5.187 7.733 1.00 0.00 H new ATOM 0 HD2 PHE A 80 2.045 7.704 7.165 1.00 0.00 H new ATOM 0 HE1 PHE A 80 6.730 7.111 8.542 1.00 0.00 H new ATOM 0 HE2 PHE A 80 3.337 9.630 7.973 1.00 0.00 H new ATOM 0 HZ PHE A 80 5.683 9.336 8.666 1.00 0.00 H new ATOM 1175 N ILE A 81 3.617 2.194 5.536 1.00 0.00 N ATOM 1176 CA ILE A 81 3.210 0.807 5.352 1.00 0.00 C ATOM 1177 C ILE A 81 2.404 0.308 6.546 1.00 0.00 C ATOM 1178 O ILE A 81 2.741 0.588 7.696 1.00 0.00 O ATOM 1179 CB ILE A 81 4.427 -0.115 5.148 1.00 0.00 C ATOM 1180 CG1 ILE A 81 5.372 0.474 4.100 1.00 0.00 C ATOM 1181 CG2 ILE A 81 3.974 -1.508 4.737 1.00 0.00 C ATOM 1182 CD1 ILE A 81 6.727 -0.197 4.062 1.00 0.00 C ATOM 0 H ILE A 81 4.582 2.313 5.845 1.00 0.00 H new ATOM 0 HA ILE A 81 2.588 0.777 4.458 1.00 0.00 H new ATOM 0 HB ILE A 81 4.966 -0.193 6.092 1.00 0.00 H new ATOM 0 HG12 ILE A 81 4.908 0.392 3.117 1.00 0.00 H new ATOM 0 HG13 ILE A 81 5.507 1.537 4.301 1.00 0.00 H new ATOM 0 HG21 ILE A 81 4.846 -2.147 4.597 1.00 0.00 H new ATOM 0 HG22 ILE A 81 3.337 -1.928 5.516 1.00 0.00 H new ATOM 0 HG23 ILE A 81 3.414 -1.448 3.804 1.00 0.00 H new ATOM 0 HD11 ILE A 81 7.344 0.272 3.296 1.00 0.00 H new ATOM 0 HD12 ILE A 81 7.212 -0.093 5.033 1.00 0.00 H new ATOM 0 HD13 ILE A 81 6.603 -1.255 3.830 1.00 0.00 H new ATOM 1194 N GLN A 82 1.338 -0.434 6.265 1.00 0.00 N ATOM 1195 CA GLN A 82 0.483 -0.974 7.316 1.00 0.00 C ATOM 1196 C GLN A 82 0.377 -2.491 7.206 1.00 0.00 C ATOM 1197 O GLN A 82 0.450 -3.203 8.207 1.00 0.00 O ATOM 1198 CB GLN A 82 -0.912 -0.348 7.239 1.00 0.00 C ATOM 1199 CG GLN A 82 -0.907 1.167 7.356 1.00 0.00 C ATOM 1200 CD GLN A 82 -0.808 1.640 8.793 1.00 0.00 C ATOM 1201 OE1 GLN A 82 -1.735 1.461 9.583 1.00 0.00 O ATOM 1202 NE2 GLN A 82 0.319 2.250 9.139 1.00 0.00 N ATOM 0 H GLN A 82 1.045 -0.675 5.318 1.00 0.00 H new ATOM 0 HA GLN A 82 0.933 -0.728 8.278 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -1.375 -0.629 6.293 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -1.532 -0.763 8.034 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -0.069 1.569 6.786 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -1.817 1.565 6.908 1.00 0.00 H new ATOM 0 HE21 GLN A 82 1.062 2.377 8.452 1.00 0.00 H new ATOM 0 HE22 GLN A 82 0.442 2.592 10.092 1.00 0.00 H new ATOM 1211 N PHE A 83 0.205 -2.980 5.981 1.00 0.00 N ATOM 1212 CA PHE A 83 0.090 -4.412 5.739 1.00 0.00 C ATOM 1213 C PHE A 83 1.242 -4.912 4.873 1.00 0.00 C ATOM 1214 O PHE A 83 1.770 -4.177 4.040 1.00 0.00 O ATOM 1215 CB PHE A 83 -1.245 -4.729 5.063 1.00 0.00 C ATOM 1216 CG PHE A 83 -1.563 -6.196 5.018 1.00 0.00 C ATOM 1217 CD1 PHE A 83 -2.065 -6.843 6.136 1.00 0.00 C ATOM 1218 CD2 PHE A 83 -1.363 -6.927 3.858 1.00 0.00 C ATOM 1219 CE1 PHE A 83 -2.360 -8.193 6.099 1.00 0.00 C ATOM 1220 CE2 PHE A 83 -1.655 -8.278 3.815 1.00 0.00 C ATOM 1221 CZ PHE A 83 -2.154 -8.912 4.936 1.00 0.00 C ATOM 0 H PHE A 83 0.142 -2.404 5.141 1.00 0.00 H new ATOM 0 HA PHE A 83 0.134 -4.923 6.701 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -2.043 -4.209 5.592 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -1.229 -4.338 4.046 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -2.228 -6.286 7.047 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -0.975 -6.436 2.978 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -2.751 -8.685 6.977 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -1.493 -8.837 2.905 1.00 0.00 H new ATOM 0 HZ PHE A 83 -2.383 -9.967 4.904 1.00 0.00 H new ATOM 1231 N LEU A 84 1.628 -6.167 5.078 1.00 0.00 N ATOM 1232 CA LEU A 84 2.718 -6.766 4.315 1.00 0.00 C ATOM 1233 C LEU A 84 2.532 -8.275 4.194 1.00 0.00 C ATOM 1234 O LEU A 84 2.545 -8.994 5.194 1.00 0.00 O ATOM 1235 CB LEU A 84 4.062 -6.454 4.977 1.00 0.00 C ATOM 1236 CG LEU A 84 4.752 -5.186 4.473 1.00 0.00 C ATOM 1237 CD1 LEU A 84 5.675 -4.621 5.540 1.00 0.00 C ATOM 1238 CD2 LEU A 84 5.526 -5.474 3.195 1.00 0.00 C ATOM 0 H LEU A 84 1.203 -6.789 5.766 1.00 0.00 H new ATOM 0 HA LEU A 84 2.707 -6.337 3.313 1.00 0.00 H new ATOM 0 HB2 LEU A 84 3.908 -6.363 6.052 1.00 0.00 H new ATOM 0 HB3 LEU A 84 4.731 -7.300 4.822 1.00 0.00 H new ATOM 0 HG LEU A 84 3.987 -4.442 4.252 1.00 0.00 H new ATOM 0 HD11 LEU A 84 6.157 -3.719 5.163 1.00 0.00 H new ATOM 0 HD12 LEU A 84 5.096 -4.378 6.431 1.00 0.00 H new ATOM 0 HD13 LEU A 84 6.435 -5.360 5.792 1.00 0.00 H new ATOM 0 HD21 LEU A 84 6.011 -4.561 2.850 1.00 0.00 H new ATOM 0 HD22 LEU A 84 6.282 -6.235 3.391 1.00 0.00 H new ATOM 0 HD23 LEU A 84 4.840 -5.833 2.427 1.00 0.00 H new ATOM 1250 N GLY A 85 2.362 -8.748 2.965 1.00 0.00 N ATOM 1251 CA GLY A 85 2.177 -10.169 2.736 1.00 0.00 C ATOM 1252 C GLY A 85 1.196 -10.453 1.615 1.00 0.00 C ATOM 1253 O GLY A 85 0.815 -9.549 0.871 1.00 0.00 O ATOM 0 H GLY A 85 2.349 -8.173 2.123 1.00 0.00 H new ATOM 0 HA2 GLY A 85 3.138 -10.624 2.497 1.00 0.00 H new ATOM 0 HA3 GLY A 85 1.822 -10.638 3.653 1.00 0.00 H new ATOM 1257 N GLU A 86 0.786 -11.711 1.494 1.00 0.00 N ATOM 1258 CA GLU A 86 -0.156 -12.111 0.455 1.00 0.00 C ATOM 1259 C GLU A 86 -1.528 -11.490 0.698 1.00 0.00 C ATOM 1260 O GLU A 86 -1.752 -10.831 1.714 1.00 0.00 O ATOM 1261 CB GLU A 86 -0.275 -13.634 0.404 1.00 0.00 C ATOM 1262 CG GLU A 86 0.975 -14.326 -0.115 1.00 0.00 C ATOM 1263 CD GLU A 86 0.671 -15.649 -0.790 1.00 0.00 C ATOM 1264 OE1 GLU A 86 -0.154 -15.662 -1.728 1.00 0.00 O ATOM 1265 OE2 GLU A 86 1.259 -16.673 -0.380 1.00 0.00 O ATOM 0 H GLU A 86 1.091 -12.471 2.102 1.00 0.00 H new ATOM 0 HA GLU A 86 0.222 -11.751 -0.502 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -0.497 -14.006 1.404 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -1.119 -13.903 -0.231 1.00 0.00 H new ATOM 0 HG2 GLU A 86 1.482 -13.670 -0.822 1.00 0.00 H new ATOM 0 HG3 GLU A 86 1.663 -14.495 0.713 1.00 0.00 H new ATOM 1272 N THR A 87 -2.444 -11.705 -0.241 1.00 0.00 N ATOM 1273 CA THR A 87 -3.795 -11.167 -0.129 1.00 0.00 C ATOM 1274 C THR A 87 -4.834 -12.244 -0.425 1.00 0.00 C ATOM 1275 O THR A 87 -4.494 -13.409 -0.631 1.00 0.00 O ATOM 1276 CB THR A 87 -3.979 -9.988 -1.084 1.00 0.00 C ATOM 1277 OG1 THR A 87 -3.847 -10.408 -2.432 1.00 0.00 O ATOM 1278 CG2 THR A 87 -2.985 -8.870 -0.853 1.00 0.00 C ATOM 0 H THR A 87 -2.275 -12.248 -1.088 1.00 0.00 H new ATOM 0 HA THR A 87 -3.938 -10.820 0.894 1.00 0.00 H new ATOM 0 HB THR A 87 -4.981 -9.609 -0.885 1.00 0.00 H new ATOM 0 HG1 THR A 87 -3.447 -11.302 -2.458 1.00 0.00 H new ATOM 0 HG21 THR A 87 -3.171 -8.065 -1.564 1.00 0.00 H new ATOM 0 HG22 THR A 87 -3.095 -8.490 0.163 1.00 0.00 H new ATOM 0 HG23 THR A 87 -1.972 -9.249 -0.991 1.00 0.00 H new ATOM 1286 N GLN A 88 -6.102 -11.847 -0.443 1.00 0.00 N ATOM 1287 CA GLN A 88 -7.192 -12.779 -0.714 1.00 0.00 C ATOM 1288 C GLN A 88 -7.943 -12.406 -1.991 1.00 0.00 C ATOM 1289 O GLN A 88 -8.957 -13.021 -2.323 1.00 0.00 O ATOM 1290 CB GLN A 88 -8.164 -12.813 0.468 1.00 0.00 C ATOM 1291 CG GLN A 88 -7.693 -13.686 1.620 1.00 0.00 C ATOM 1292 CD GLN A 88 -8.260 -13.246 2.955 1.00 0.00 C ATOM 1293 OE1 GLN A 88 -9.353 -13.657 3.344 1.00 0.00 O ATOM 1294 NE2 GLN A 88 -7.518 -12.405 3.665 1.00 0.00 N ATOM 0 H GLN A 88 -6.401 -10.887 -0.273 1.00 0.00 H new ATOM 0 HA GLN A 88 -6.756 -13.768 -0.854 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -8.316 -11.797 0.832 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -9.132 -13.175 0.121 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -7.982 -14.720 1.430 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -6.604 -13.663 1.667 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -6.618 -12.090 3.304 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -7.848 -12.074 4.572 1.00 0.00 H new ATOM 1303 N PHE A 89 -7.445 -11.400 -2.706 1.00 0.00 N ATOM 1304 CA PHE A 89 -8.078 -10.958 -3.944 1.00 0.00 C ATOM 1305 C PHE A 89 -7.163 -11.195 -5.141 1.00 0.00 C ATOM 1306 O PHE A 89 -7.625 -11.534 -6.230 1.00 0.00 O ATOM 1307 CB PHE A 89 -8.446 -9.476 -3.853 1.00 0.00 C ATOM 1308 CG PHE A 89 -7.284 -8.587 -3.508 1.00 0.00 C ATOM 1309 CD1 PHE A 89 -6.478 -8.060 -4.504 1.00 0.00 C ATOM 1310 CD2 PHE A 89 -7.001 -8.278 -2.187 1.00 0.00 C ATOM 1311 CE1 PHE A 89 -5.410 -7.242 -4.189 1.00 0.00 C ATOM 1312 CE2 PHE A 89 -5.934 -7.461 -1.867 1.00 0.00 C ATOM 1313 CZ PHE A 89 -5.137 -6.942 -2.869 1.00 0.00 C ATOM 0 H PHE A 89 -6.607 -10.877 -2.450 1.00 0.00 H new ATOM 0 HA PHE A 89 -8.987 -11.543 -4.085 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -8.867 -9.156 -4.806 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -9.225 -9.349 -3.101 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -6.687 -8.291 -5.538 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -7.621 -8.680 -1.399 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -4.789 -6.837 -4.975 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -5.723 -7.228 -0.834 1.00 0.00 H new ATOM 0 HZ PHE A 89 -4.302 -6.303 -2.621 1.00 0.00 H new ATOM 1323 N ALA A 90 -5.863 -11.015 -4.931 1.00 0.00 N ATOM 1324 CA ALA A 90 -4.885 -11.209 -5.994 1.00 0.00 C ATOM 1325 C ALA A 90 -3.696 -12.033 -5.503 1.00 0.00 C ATOM 1326 O ALA A 90 -3.209 -11.828 -4.390 1.00 0.00 O ATOM 1327 CB ALA A 90 -4.414 -9.866 -6.530 1.00 0.00 C ATOM 0 H ALA A 90 -5.463 -10.735 -4.035 1.00 0.00 H new ATOM 0 HA ALA A 90 -5.367 -11.760 -6.801 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -3.684 -10.027 -7.323 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -5.266 -9.314 -6.927 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -3.954 -9.294 -5.724 1.00 0.00 H new ATOM 1333 N PRO A 91 -3.209 -12.978 -6.327 1.00 0.00 N ATOM 1334 CA PRO A 91 -2.072 -13.829 -5.966 1.00 0.00 C ATOM 1335 C PRO A 91 -0.740 -13.095 -6.081 1.00 0.00 C ATOM 1336 O PRO A 91 -0.440 -12.488 -7.109 1.00 0.00 O ATOM 1337 CB PRO A 91 -2.149 -14.960 -6.989 1.00 0.00 C ATOM 1338 CG PRO A 91 -2.772 -14.338 -8.190 1.00 0.00 C ATOM 1339 CD PRO A 91 -3.727 -13.293 -7.673 1.00 0.00 C ATOM 0 HA PRO A 91 -2.121 -14.165 -4.930 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -1.160 -15.357 -7.216 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -2.748 -15.791 -6.617 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -2.015 -13.890 -8.833 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -3.297 -15.084 -8.787 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -3.740 -12.411 -8.313 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -4.749 -13.671 -7.630 1.00 0.00 H new ATOM 1347 N GLY A 92 0.057 -13.156 -5.019 1.00 0.00 N ATOM 1348 CA GLY A 92 1.348 -12.493 -5.023 1.00 0.00 C ATOM 1349 C GLY A 92 1.635 -11.774 -3.719 1.00 0.00 C ATOM 1350 O GLY A 92 0.934 -11.969 -2.727 1.00 0.00 O ATOM 0 H GLY A 92 -0.168 -13.652 -4.157 1.00 0.00 H new ATOM 0 HA2 GLY A 92 2.130 -13.229 -5.208 1.00 0.00 H new ATOM 0 HA3 GLY A 92 1.383 -11.777 -5.844 1.00 0.00 H new ATOM 1354 N GLN A 93 2.670 -10.940 -3.722 1.00 0.00 N ATOM 1355 CA GLN A 93 3.050 -10.189 -2.531 1.00 0.00 C ATOM 1356 C GLN A 93 2.684 -8.716 -2.677 1.00 0.00 C ATOM 1357 O GLN A 93 3.163 -8.034 -3.582 1.00 0.00 O ATOM 1358 CB GLN A 93 4.551 -10.331 -2.270 1.00 0.00 C ATOM 1359 CG GLN A 93 4.905 -11.509 -1.378 1.00 0.00 C ATOM 1360 CD GLN A 93 5.332 -11.080 0.013 1.00 0.00 C ATOM 1361 OE1 GLN A 93 6.368 -11.512 0.518 1.00 0.00 O ATOM 1362 NE2 GLN A 93 4.533 -10.224 0.640 1.00 0.00 N ATOM 0 H GLN A 93 3.260 -10.767 -4.536 1.00 0.00 H new ATOM 0 HA GLN A 93 2.501 -10.599 -1.683 1.00 0.00 H new ATOM 0 HB2 GLN A 93 5.068 -10.440 -3.223 1.00 0.00 H new ATOM 0 HB3 GLN A 93 4.920 -9.414 -1.810 1.00 0.00 H new ATOM 0 HG2 GLN A 93 4.044 -12.173 -1.301 1.00 0.00 H new ATOM 0 HG3 GLN A 93 5.709 -12.081 -1.840 1.00 0.00 H new ATOM 0 HE21 GLN A 93 3.684 -9.891 0.184 1.00 0.00 H new ATOM 0 HE22 GLN A 93 4.769 -9.899 1.578 1.00 0.00 H new ATOM 1371 N TRP A 94 1.833 -8.231 -1.779 1.00 0.00 N ATOM 1372 CA TRP A 94 1.403 -6.839 -1.806 1.00 0.00 C ATOM 1373 C TRP A 94 1.917 -6.088 -0.582 1.00 0.00 C ATOM 1374 O TRP A 94 2.584 -6.665 0.278 1.00 0.00 O ATOM 1375 CB TRP A 94 -0.123 -6.754 -1.866 1.00 0.00 C ATOM 1376 CG TRP A 94 -0.703 -7.372 -3.101 1.00 0.00 C ATOM 1377 CD1 TRP A 94 -0.901 -8.701 -3.337 1.00 0.00 C ATOM 1378 CD2 TRP A 94 -1.161 -6.683 -4.271 1.00 0.00 C ATOM 1379 NE1 TRP A 94 -1.454 -8.882 -4.582 1.00 0.00 N ATOM 1380 CE2 TRP A 94 -1.623 -7.659 -5.175 1.00 0.00 C ATOM 1381 CE3 TRP A 94 -1.226 -5.337 -4.642 1.00 0.00 C ATOM 1382 CZ2 TRP A 94 -2.142 -7.330 -6.425 1.00 0.00 C ATOM 1383 CZ3 TRP A 94 -1.740 -5.012 -5.883 1.00 0.00 C ATOM 1384 CH2 TRP A 94 -2.193 -6.005 -6.761 1.00 0.00 C ATOM 0 H TRP A 94 1.427 -8.783 -1.023 1.00 0.00 H new ATOM 0 HA TRP A 94 1.821 -6.374 -2.699 1.00 0.00 H new ATOM 0 HB2 TRP A 94 -0.542 -7.248 -0.990 1.00 0.00 H new ATOM 0 HB3 TRP A 94 -0.424 -5.708 -1.816 1.00 0.00 H new ATOM 0 HD1 TRP A 94 -0.659 -9.495 -2.646 1.00 0.00 H new ATOM 0 HE1 TRP A 94 -1.699 -9.781 -4.997 1.00 0.00 H new ATOM 0 HE3 TRP A 94 -0.881 -4.565 -3.971 1.00 0.00 H new ATOM 0 HZ2 TRP A 94 -2.491 -8.093 -7.104 1.00 0.00 H new ATOM 0 HZ3 TRP A 94 -1.793 -3.975 -6.181 1.00 0.00 H new ATOM 0 HH2 TRP A 94 -2.591 -5.718 -7.723 1.00 0.00 H new ATOM 1395 N ALA A 95 1.601 -4.799 -0.508 1.00 0.00 N ATOM 1396 CA ALA A 95 2.032 -3.971 0.612 1.00 0.00 C ATOM 1397 C ALA A 95 1.141 -2.742 0.760 1.00 0.00 C ATOM 1398 O ALA A 95 1.240 -1.794 -0.018 1.00 0.00 O ATOM 1399 CB ALA A 95 3.484 -3.555 0.433 1.00 0.00 C ATOM 0 H ALA A 95 1.049 -4.306 -1.210 1.00 0.00 H new ATOM 0 HA ALA A 95 1.945 -4.562 1.524 1.00 0.00 H new ATOM 0 HB1 ALA A 95 3.792 -2.937 1.277 1.00 0.00 H new ATOM 0 HB2 ALA A 95 4.114 -4.443 0.385 1.00 0.00 H new ATOM 0 HB3 ALA A 95 3.588 -2.986 -0.491 1.00 0.00 H new ATOM 1405 N GLY A 96 0.269 -2.767 1.764 1.00 0.00 N ATOM 1406 CA GLY A 96 -0.626 -1.650 1.995 1.00 0.00 C ATOM 1407 C GLY A 96 0.103 -0.419 2.496 1.00 0.00 C ATOM 1408 O GLY A 96 0.887 -0.497 3.442 1.00 0.00 O ATOM 0 H GLY A 96 0.167 -3.541 2.421 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -1.147 -1.408 1.069 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -1.385 -1.940 2.722 1.00 0.00 H new ATOM 1412 N ILE A 97 -0.154 0.719 1.861 1.00 0.00 N ATOM 1413 CA ILE A 97 0.484 1.971 2.248 1.00 0.00 C ATOM 1414 C ILE A 97 -0.550 3.062 2.499 1.00 0.00 C ATOM 1415 O ILE A 97 -1.630 3.056 1.909 1.00 0.00 O ATOM 1416 CB ILE A 97 1.474 2.455 1.170 1.00 0.00 C ATOM 1417 CG1 ILE A 97 2.404 1.313 0.747 1.00 0.00 C ATOM 1418 CG2 ILE A 97 2.276 3.641 1.683 1.00 0.00 C ATOM 1419 CD1 ILE A 97 2.399 1.052 -0.743 1.00 0.00 C ATOM 0 H ILE A 97 -0.800 0.800 1.076 1.00 0.00 H new ATOM 0 HA ILE A 97 1.030 1.774 3.170 1.00 0.00 H new ATOM 0 HB ILE A 97 0.908 2.776 0.295 1.00 0.00 H new ATOM 0 HG12 ILE A 97 3.421 1.546 1.064 1.00 0.00 H new ATOM 0 HG13 ILE A 97 2.109 0.402 1.268 1.00 0.00 H new ATOM 0 HG21 ILE A 97 2.971 3.972 0.911 1.00 0.00 H new ATOM 0 HG22 ILE A 97 1.598 4.457 1.935 1.00 0.00 H new ATOM 0 HG23 ILE A 97 2.834 3.346 2.571 1.00 0.00 H new ATOM 0 HD11 ILE A 97 3.079 0.231 -0.971 1.00 0.00 H new ATOM 0 HD12 ILE A 97 1.391 0.787 -1.063 1.00 0.00 H new ATOM 0 HD13 ILE A 97 2.723 1.949 -1.271 1.00 0.00 H new ATOM 1431 N VAL A 98 -0.211 3.999 3.379 1.00 0.00 N ATOM 1432 CA VAL A 98 -1.110 5.098 3.710 1.00 0.00 C ATOM 1433 C VAL A 98 -0.493 6.442 3.336 1.00 0.00 C ATOM 1434 O VAL A 98 0.462 6.895 3.967 1.00 0.00 O ATOM 1435 CB VAL A 98 -1.460 5.106 5.211 1.00 0.00 C ATOM 1436 CG1 VAL A 98 -2.518 6.158 5.508 1.00 0.00 C ATOM 1437 CG2 VAL A 98 -1.928 3.729 5.659 1.00 0.00 C ATOM 0 H VAL A 98 0.680 4.019 3.875 1.00 0.00 H new ATOM 0 HA VAL A 98 -2.022 4.946 3.134 1.00 0.00 H new ATOM 0 HB VAL A 98 -0.561 5.359 5.772 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -2.752 6.148 6.573 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -2.141 7.142 5.228 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -3.420 5.939 4.936 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -2.170 3.755 6.721 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -2.814 3.443 5.092 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -1.136 3.001 5.485 1.00 0.00 H new ATOM 1447 N LEU A 99 -1.044 7.074 2.305 1.00 0.00 N ATOM 1448 CA LEU A 99 -0.549 8.365 1.846 1.00 0.00 C ATOM 1449 C LEU A 99 -0.854 9.460 2.864 1.00 0.00 C ATOM 1450 O LEU A 99 -1.681 9.277 3.758 1.00 0.00 O ATOM 1451 CB LEU A 99 -1.170 8.723 0.495 1.00 0.00 C ATOM 1452 CG LEU A 99 -1.125 7.609 -0.554 1.00 0.00 C ATOM 1453 CD1 LEU A 99 -1.911 8.010 -1.792 1.00 0.00 C ATOM 1454 CD2 LEU A 99 0.316 7.280 -0.917 1.00 0.00 C ATOM 0 H LEU A 99 -1.834 6.712 1.772 1.00 0.00 H new ATOM 0 HA LEU A 99 0.533 8.290 1.733 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -2.210 9.009 0.655 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -0.656 9.598 0.096 1.00 0.00 H new ATOM 0 HG LEU A 99 -1.586 6.716 -0.131 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -1.868 7.206 -2.527 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -2.950 8.197 -1.519 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -1.480 8.915 -2.219 1.00 0.00 H new ATOM 0 HD21 LEU A 99 0.331 6.486 -1.664 1.00 0.00 H new ATOM 0 HD22 LEU A 99 0.801 8.168 -1.322 1.00 0.00 H new ATOM 0 HD23 LEU A 99 0.849 6.950 -0.026 1.00 0.00 H new ATOM 1466 N ASP A 100 -0.182 10.597 2.722 1.00 0.00 N ATOM 1467 CA ASP A 100 -0.381 11.721 3.629 1.00 0.00 C ATOM 1468 C ASP A 100 -1.250 12.794 2.980 1.00 0.00 C ATOM 1469 O ASP A 100 -1.105 13.983 3.265 1.00 0.00 O ATOM 1470 CB ASP A 100 0.969 12.314 4.042 1.00 0.00 C ATOM 1471 CG ASP A 100 1.338 11.969 5.471 1.00 0.00 C ATOM 1472 OD1 ASP A 100 0.887 12.686 6.390 1.00 0.00 O ATOM 1473 OD2 ASP A 100 2.078 10.984 5.672 1.00 0.00 O ATOM 0 H ASP A 100 0.505 10.765 1.987 1.00 0.00 H new ATOM 0 HA ASP A 100 -0.894 11.355 4.519 1.00 0.00 H new ATOM 0 HB2 ASP A 100 1.745 11.947 3.370 1.00 0.00 H new ATOM 0 HB3 ASP A 100 0.937 13.398 3.929 1.00 0.00 H new ATOM 1478 N GLU A 101 -2.156 12.366 2.105 1.00 0.00 N ATOM 1479 CA GLU A 101 -3.050 13.289 1.416 1.00 0.00 C ATOM 1480 C GLU A 101 -4.153 12.531 0.680 1.00 0.00 C ATOM 1481 O GLU A 101 -3.983 11.366 0.320 1.00 0.00 O ATOM 1482 CB GLU A 101 -2.263 14.153 0.430 1.00 0.00 C ATOM 1483 CG GLU A 101 -1.744 15.447 1.036 1.00 0.00 C ATOM 1484 CD GLU A 101 -1.793 16.607 0.061 1.00 0.00 C ATOM 1485 OE1 GLU A 101 -2.903 16.963 -0.384 1.00 0.00 O ATOM 1486 OE2 GLU A 101 -0.719 17.160 -0.258 1.00 0.00 O ATOM 0 H GLU A 101 -2.290 11.386 1.857 1.00 0.00 H new ATOM 0 HA GLU A 101 -3.513 13.933 2.163 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -1.420 13.577 0.047 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -2.900 14.390 -0.422 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -2.335 15.693 1.918 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -0.717 15.301 1.370 1.00 0.00 H new ATOM 1493 N PRO A 102 -5.303 13.186 0.445 1.00 0.00 N ATOM 1494 CA PRO A 102 -6.437 12.568 -0.251 1.00 0.00 C ATOM 1495 C PRO A 102 -6.159 12.359 -1.737 1.00 0.00 C ATOM 1496 O PRO A 102 -6.840 12.925 -2.592 1.00 0.00 O ATOM 1497 CB PRO A 102 -7.567 13.580 -0.054 1.00 0.00 C ATOM 1498 CG PRO A 102 -6.878 14.887 0.129 1.00 0.00 C ATOM 1499 CD PRO A 102 -5.589 14.578 0.842 1.00 0.00 C ATOM 0 HA PRO A 102 -6.664 11.575 0.138 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -8.234 13.601 -0.916 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -8.176 13.329 0.814 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -6.688 15.366 -0.831 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -7.492 15.574 0.712 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -4.790 15.254 0.539 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -5.695 14.674 1.923 1.00 0.00 H new ATOM 1507 N ILE A 103 -5.157 11.540 -2.037 1.00 0.00 N ATOM 1508 CA ILE A 103 -4.792 11.254 -3.419 1.00 0.00 C ATOM 1509 C ILE A 103 -4.624 9.755 -3.645 1.00 0.00 C ATOM 1510 O ILE A 103 -3.829 9.328 -4.481 1.00 0.00 O ATOM 1511 CB ILE A 103 -3.488 11.970 -3.819 1.00 0.00 C ATOM 1512 CG1 ILE A 103 -2.367 11.623 -2.836 1.00 0.00 C ATOM 1513 CG2 ILE A 103 -3.703 13.474 -3.876 1.00 0.00 C ATOM 1514 CD1 ILE A 103 -1.027 11.396 -3.504 1.00 0.00 C ATOM 0 H ILE A 103 -4.583 11.063 -1.342 1.00 0.00 H new ATOM 0 HA ILE A 103 -5.606 11.625 -4.042 1.00 0.00 H new ATOM 0 HB ILE A 103 -3.194 11.628 -4.811 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -2.270 12.429 -2.109 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -2.645 10.726 -2.282 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -2.772 13.964 -4.160 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -4.473 13.704 -4.612 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -4.018 13.834 -2.897 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -0.280 11.154 -2.748 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -1.108 10.570 -4.211 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -0.727 12.300 -4.035 1.00 0.00 H new ATOM 1526 N GLY A 104 -5.379 8.961 -2.892 1.00 0.00 N ATOM 1527 CA GLY A 104 -5.299 7.519 -3.025 1.00 0.00 C ATOM 1528 C GLY A 104 -6.409 6.954 -3.891 1.00 0.00 C ATOM 1529 O GLY A 104 -6.854 7.599 -4.840 1.00 0.00 O ATOM 0 H GLY A 104 -6.044 9.291 -2.193 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -4.334 7.250 -3.455 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -5.346 7.063 -2.036 1.00 0.00 H new ATOM 1533 N LYS A 105 -6.856 5.746 -3.562 1.00 0.00 N ATOM 1534 CA LYS A 105 -7.921 5.095 -4.316 1.00 0.00 C ATOM 1535 C LYS A 105 -8.785 4.231 -3.402 1.00 0.00 C ATOM 1536 O LYS A 105 -10.013 4.287 -3.456 1.00 0.00 O ATOM 1537 CB LYS A 105 -7.331 4.240 -5.439 1.00 0.00 C ATOM 1538 CG LYS A 105 -6.352 3.185 -4.952 1.00 0.00 C ATOM 1539 CD LYS A 105 -5.683 2.468 -6.113 1.00 0.00 C ATOM 1540 CE LYS A 105 -5.349 1.027 -5.761 1.00 0.00 C ATOM 1541 NZ LYS A 105 -4.052 0.597 -6.351 1.00 0.00 N ATOM 0 H LYS A 105 -6.498 5.199 -2.779 1.00 0.00 H new ATOM 0 HA LYS A 105 -8.550 5.871 -4.753 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -8.143 3.750 -5.975 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -6.825 4.891 -6.152 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -5.593 3.653 -4.326 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -6.876 2.460 -4.329 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -6.341 2.488 -6.982 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -4.771 2.996 -6.391 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -5.308 0.918 -4.677 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -6.145 0.373 -6.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -3.612 -0.119 -5.738 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -4.217 0.192 -7.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -3.419 1.418 -6.433 1.00 0.00 H new ATOM 1555 N ASN A 106 -8.133 3.432 -2.563 1.00 0.00 N ATOM 1556 CA ASN A 106 -8.842 2.557 -1.635 1.00 0.00 C ATOM 1557 C ASN A 106 -8.703 3.059 -0.202 1.00 0.00 C ATOM 1558 O ASN A 106 -8.036 4.063 0.052 1.00 0.00 O ATOM 1559 CB ASN A 106 -8.308 1.127 -1.742 1.00 0.00 C ATOM 1560 CG ASN A 106 -9.012 0.325 -2.819 1.00 0.00 C ATOM 1561 OD1 ASN A 106 -10.168 -0.068 -2.660 1.00 0.00 O ATOM 1562 ND2 ASN A 106 -8.317 0.078 -3.923 1.00 0.00 N ATOM 0 H ASN A 106 -7.116 3.372 -2.506 1.00 0.00 H new ATOM 0 HA ASN A 106 -9.899 2.563 -1.902 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -7.239 1.156 -1.955 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -8.428 0.625 -0.782 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -8.739 -0.457 -4.682 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -7.361 0.423 -4.012 1.00 0.00 H new ATOM 1569 N ASP A 107 -9.336 2.356 0.731 1.00 0.00 N ATOM 1570 CA ASP A 107 -9.281 2.730 2.139 1.00 0.00 C ATOM 1571 C ASP A 107 -8.619 1.636 2.969 1.00 0.00 C ATOM 1572 O ASP A 107 -8.947 1.447 4.141 1.00 0.00 O ATOM 1573 CB ASP A 107 -10.689 3.007 2.669 1.00 0.00 C ATOM 1574 CG ASP A 107 -11.377 4.134 1.924 1.00 0.00 C ATOM 1575 OD1 ASP A 107 -10.951 4.443 0.791 1.00 0.00 O ATOM 1576 OD2 ASP A 107 -12.342 4.707 2.472 1.00 0.00 O ATOM 0 H ASP A 107 -9.893 1.524 0.537 1.00 0.00 H new ATOM 0 HA ASP A 107 -8.682 3.637 2.225 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -11.290 2.101 2.587 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -10.633 3.257 3.728 1.00 0.00 H new ATOM 1581 N GLY A 108 -7.686 0.916 2.354 1.00 0.00 N ATOM 1582 CA GLY A 108 -6.993 -0.151 3.051 1.00 0.00 C ATOM 1583 C GLY A 108 -7.808 -1.427 3.113 1.00 0.00 C ATOM 1584 O GLY A 108 -7.700 -2.195 4.070 1.00 0.00 O ATOM 0 H GLY A 108 -7.398 1.053 1.385 1.00 0.00 H new ATOM 0 HA2 GLY A 108 -6.046 -0.352 2.551 1.00 0.00 H new ATOM 0 HA3 GLY A 108 -6.756 0.175 4.064 1.00 0.00 H new ATOM 1588 N SER A 109 -8.624 -1.655 2.090 1.00 0.00 N ATOM 1589 CA SER A 109 -9.462 -2.848 2.031 1.00 0.00 C ATOM 1590 C SER A 109 -9.850 -3.170 0.592 1.00 0.00 C ATOM 1591 O SER A 109 -10.317 -2.300 -0.145 1.00 0.00 O ATOM 1592 CB SER A 109 -10.719 -2.655 2.880 1.00 0.00 C ATOM 1593 OG SER A 109 -10.394 -2.535 4.254 1.00 0.00 O ATOM 0 H SER A 109 -8.723 -1.030 1.290 1.00 0.00 H new ATOM 0 HA SER A 109 -8.888 -3.685 2.429 1.00 0.00 H new ATOM 0 HB2 SER A 109 -11.251 -1.763 2.550 1.00 0.00 H new ATOM 0 HB3 SER A 109 -11.393 -3.500 2.735 1.00 0.00 H new ATOM 0 HG SER A 109 -9.420 -2.550 4.362 1.00 0.00 H new ATOM 1599 N VAL A 110 -9.655 -4.423 0.196 1.00 0.00 N ATOM 1600 CA VAL A 110 -9.986 -4.858 -1.156 1.00 0.00 C ATOM 1601 C VAL A 110 -11.065 -5.936 -1.140 1.00 0.00 C ATOM 1602 O VAL A 110 -10.927 -6.957 -0.467 1.00 0.00 O ATOM 1603 CB VAL A 110 -8.747 -5.403 -1.891 1.00 0.00 C ATOM 1604 CG1 VAL A 110 -9.064 -5.661 -3.356 1.00 0.00 C ATOM 1605 CG2 VAL A 110 -7.577 -4.440 -1.753 1.00 0.00 C ATOM 0 H VAL A 110 -9.269 -5.155 0.792 1.00 0.00 H new ATOM 0 HA VAL A 110 -10.359 -3.981 -1.686 1.00 0.00 H new ATOM 0 HB VAL A 110 -8.464 -6.351 -1.433 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -8.176 -6.046 -3.858 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -9.869 -6.392 -3.431 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -9.375 -4.730 -3.830 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -6.711 -4.842 -2.279 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -7.847 -3.475 -2.183 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -7.334 -4.312 -0.698 1.00 0.00 H new ATOM 1615 N ALA A 111 -12.140 -5.698 -1.884 1.00 0.00 N ATOM 1616 CA ALA A 111 -13.244 -6.647 -1.957 1.00 0.00 C ATOM 1617 C ALA A 111 -13.842 -6.902 -0.578 1.00 0.00 C ATOM 1618 O ALA A 111 -14.396 -7.971 -0.319 1.00 0.00 O ATOM 1619 CB ALA A 111 -12.776 -7.953 -2.580 1.00 0.00 C ATOM 0 H ALA A 111 -12.270 -4.856 -2.445 1.00 0.00 H new ATOM 0 HA ALA A 111 -14.021 -6.214 -2.587 1.00 0.00 H new ATOM 0 HB1 ALA A 111 -13.610 -8.653 -2.628 1.00 0.00 H new ATOM 0 HB2 ALA A 111 -12.403 -7.763 -3.586 1.00 0.00 H new ATOM 0 HB3 ALA A 111 -11.979 -8.381 -1.972 1.00 0.00 H new ATOM 1625 N GLY A 112 -13.728 -5.915 0.305 1.00 0.00 N ATOM 1626 CA GLY A 112 -14.264 -6.055 1.646 1.00 0.00 C ATOM 1627 C GLY A 112 -13.228 -6.550 2.639 1.00 0.00 C ATOM 1628 O GLY A 112 -13.381 -6.364 3.846 1.00 0.00 O ATOM 0 H GLY A 112 -13.274 -5.021 0.116 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -14.652 -5.093 1.981 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -15.104 -6.749 1.627 1.00 0.00 H new ATOM 1632 N VAL A 113 -12.172 -7.180 2.133 1.00 0.00 N ATOM 1633 CA VAL A 113 -11.112 -7.700 2.989 1.00 0.00 C ATOM 1634 C VAL A 113 -10.356 -6.568 3.674 1.00 0.00 C ATOM 1635 O VAL A 113 -9.792 -5.694 3.015 1.00 0.00 O ATOM 1636 CB VAL A 113 -10.114 -8.558 2.190 1.00 0.00 C ATOM 1637 CG1 VAL A 113 -9.136 -9.252 3.127 1.00 0.00 C ATOM 1638 CG2 VAL A 113 -10.850 -9.573 1.330 1.00 0.00 C ATOM 0 H VAL A 113 -12.028 -7.342 1.136 1.00 0.00 H new ATOM 0 HA VAL A 113 -11.592 -8.323 3.744 1.00 0.00 H new ATOM 0 HB VAL A 113 -9.546 -7.902 1.530 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -8.439 -9.854 2.544 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -8.583 -8.504 3.695 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -9.685 -9.896 3.814 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -10.128 -10.170 0.773 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -11.446 -10.226 1.968 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -11.505 -9.052 0.632 1.00 0.00 H new ATOM 1648 N ARG A 114 -10.345 -6.591 5.004 1.00 0.00 N ATOM 1649 CA ARG A 114 -9.657 -5.567 5.780 1.00 0.00 C ATOM 1650 C ARG A 114 -8.212 -5.972 6.051 1.00 0.00 C ATOM 1651 O ARG A 114 -7.951 -6.952 6.749 1.00 0.00 O ATOM 1652 CB ARG A 114 -10.391 -5.320 7.101 1.00 0.00 C ATOM 1653 CG ARG A 114 -11.130 -3.991 7.147 1.00 0.00 C ATOM 1654 CD ARG A 114 -12.637 -4.189 7.208 1.00 0.00 C ATOM 1655 NE ARG A 114 -13.356 -3.148 6.479 1.00 0.00 N ATOM 1656 CZ ARG A 114 -13.580 -1.926 6.958 1.00 0.00 C ATOM 1657 NH1 ARG A 114 -13.145 -1.589 8.167 1.00 0.00 N ATOM 1658 NH2 ARG A 114 -14.241 -1.039 6.227 1.00 0.00 N ATOM 0 H ARG A 114 -10.805 -7.308 5.565 1.00 0.00 H new ATOM 0 HA ARG A 114 -9.653 -4.645 5.199 1.00 0.00 H new ATOM 0 HB2 ARG A 114 -11.103 -6.128 7.268 1.00 0.00 H new ATOM 0 HB3 ARG A 114 -9.671 -5.355 7.919 1.00 0.00 H new ATOM 0 HG2 ARG A 114 -10.802 -3.422 8.017 1.00 0.00 H new ATOM 0 HG3 ARG A 114 -10.875 -3.402 6.266 1.00 0.00 H new ATOM 0 HD2 ARG A 114 -12.892 -5.164 6.793 1.00 0.00 H new ATOM 0 HD3 ARG A 114 -12.960 -4.192 8.249 1.00 0.00 H new ATOM 0 HE ARG A 114 -13.708 -3.370 5.548 1.00 0.00 H new ATOM 0 HH11 ARG A 114 -12.636 -2.268 8.734 1.00 0.00 H new ATOM 0 HH12 ARG A 114 -13.319 -0.651 8.529 1.00 0.00 H new ATOM 0 HH21 ARG A 114 -14.578 -1.293 5.298 1.00 0.00 H new ATOM 0 HH22 ARG A 114 -14.413 -0.103 6.593 1.00 0.00 H new ATOM 1672 N TYR A 115 -7.275 -5.209 5.496 1.00 0.00 N ATOM 1673 CA TYR A 115 -5.856 -5.487 5.678 1.00 0.00 C ATOM 1674 C TYR A 115 -5.231 -4.504 6.664 1.00 0.00 C ATOM 1675 O TYR A 115 -4.280 -4.838 7.370 1.00 0.00 O ATOM 1676 CB TYR A 115 -5.123 -5.418 4.336 1.00 0.00 C ATOM 1677 CG TYR A 115 -5.579 -6.461 3.342 1.00 0.00 C ATOM 1678 CD1 TYR A 115 -5.078 -7.757 3.388 1.00 0.00 C ATOM 1679 CD2 TYR A 115 -6.510 -6.153 2.359 1.00 0.00 C ATOM 1680 CE1 TYR A 115 -5.492 -8.714 2.480 1.00 0.00 C ATOM 1681 CE2 TYR A 115 -6.929 -7.104 1.448 1.00 0.00 C ATOM 1682 CZ TYR A 115 -6.417 -8.382 1.513 1.00 0.00 C ATOM 1683 OH TYR A 115 -6.832 -9.332 0.609 1.00 0.00 O ATOM 0 H TYR A 115 -7.474 -4.393 4.917 1.00 0.00 H new ATOM 0 HA TYR A 115 -5.758 -6.494 6.085 1.00 0.00 H new ATOM 0 HB2 TYR A 115 -5.268 -4.428 3.903 1.00 0.00 H new ATOM 0 HB3 TYR A 115 -4.053 -5.537 4.509 1.00 0.00 H new ATOM 0 HD1 TYR A 115 -4.354 -8.020 4.145 1.00 0.00 H new ATOM 0 HD2 TYR A 115 -6.914 -5.153 2.305 1.00 0.00 H new ATOM 0 HE1 TYR A 115 -5.093 -9.716 2.528 1.00 0.00 H new ATOM 0 HE2 TYR A 115 -7.654 -6.847 0.689 1.00 0.00 H new ATOM 0 HH TYR A 115 -6.645 -9.021 -0.301 1.00 0.00 H new ATOM 1693 N PHE A 116 -5.773 -3.290 6.706 1.00 0.00 N ATOM 1694 CA PHE A 116 -5.268 -2.259 7.605 1.00 0.00 C ATOM 1695 C PHE A 116 -6.199 -1.052 7.628 1.00 0.00 C ATOM 1696 O PHE A 116 -6.527 -0.489 6.584 1.00 0.00 O ATOM 1697 CB PHE A 116 -3.862 -1.828 7.180 1.00 0.00 C ATOM 1698 CG PHE A 116 -3.812 -1.194 5.825 1.00 0.00 C ATOM 1699 CD1 PHE A 116 -3.756 -1.978 4.685 1.00 0.00 C ATOM 1700 CD2 PHE A 116 -3.819 0.184 5.688 1.00 0.00 C ATOM 1701 CE1 PHE A 116 -3.706 -1.400 3.434 1.00 0.00 C ATOM 1702 CE2 PHE A 116 -3.768 0.768 4.438 1.00 0.00 C ATOM 1703 CZ PHE A 116 -3.712 -0.027 3.311 1.00 0.00 C ATOM 0 H PHE A 116 -6.561 -2.997 6.128 1.00 0.00 H new ATOM 0 HA PHE A 116 -5.224 -2.678 8.610 1.00 0.00 H new ATOM 0 HB2 PHE A 116 -3.469 -1.126 7.915 1.00 0.00 H new ATOM 0 HB3 PHE A 116 -3.206 -2.699 7.189 1.00 0.00 H new ATOM 0 HD1 PHE A 116 -3.751 -3.054 4.777 1.00 0.00 H new ATOM 0 HD2 PHE A 116 -3.865 0.808 6.568 1.00 0.00 H new ATOM 0 HE1 PHE A 116 -3.662 -2.022 2.552 1.00 0.00 H new ATOM 0 HE2 PHE A 116 -3.772 1.844 4.342 1.00 0.00 H new ATOM 0 HZ PHE A 116 -3.673 0.427 2.332 1.00 0.00 H new ATOM 1713 N GLN A 117 -6.621 -0.659 8.825 1.00 0.00 N ATOM 1714 CA GLN A 117 -7.516 0.481 8.985 1.00 0.00 C ATOM 1715 C GLN A 117 -6.776 1.791 8.733 1.00 0.00 C ATOM 1716 O GLN A 117 -5.783 2.093 9.394 1.00 0.00 O ATOM 1717 CB GLN A 117 -8.123 0.487 10.389 1.00 0.00 C ATOM 1718 CG GLN A 117 -9.533 1.053 10.440 1.00 0.00 C ATOM 1719 CD GLN A 117 -9.582 2.528 10.091 1.00 0.00 C ATOM 1720 OE1 GLN A 117 -8.869 3.341 10.681 1.00 0.00 O ATOM 1721 NE2 GLN A 117 -10.426 2.881 9.129 1.00 0.00 N ATOM 0 H GLN A 117 -6.357 -1.114 9.699 1.00 0.00 H new ATOM 0 HA GLN A 117 -8.317 0.389 8.251 1.00 0.00 H new ATOM 0 HB2 GLN A 117 -8.136 -0.532 10.775 1.00 0.00 H new ATOM 0 HB3 GLN A 117 -7.482 1.070 11.050 1.00 0.00 H new ATOM 0 HG2 GLN A 117 -10.168 0.499 9.749 1.00 0.00 H new ATOM 0 HG3 GLN A 117 -9.944 0.906 11.439 1.00 0.00 H new ATOM 0 HE21 GLN A 117 -10.998 2.174 8.667 1.00 0.00 H new ATOM 0 HE22 GLN A 117 -10.503 3.860 8.852 1.00 0.00 H new ATOM 1730 N CYS A 118 -7.268 2.568 7.772 1.00 0.00 N ATOM 1731 CA CYS A 118 -6.655 3.847 7.433 1.00 0.00 C ATOM 1732 C CYS A 118 -7.715 4.869 7.037 1.00 0.00 C ATOM 1733 O CYS A 118 -8.905 4.558 6.994 1.00 0.00 O ATOM 1734 CB CYS A 118 -5.651 3.669 6.293 1.00 0.00 C ATOM 1735 SG CYS A 118 -6.365 2.972 4.785 1.00 0.00 S ATOM 0 H CYS A 118 -8.090 2.334 7.215 1.00 0.00 H new ATOM 0 HA CYS A 118 -6.131 4.216 8.315 1.00 0.00 H new ATOM 0 HB2 CYS A 118 -5.208 4.637 6.059 1.00 0.00 H new ATOM 0 HB3 CYS A 118 -4.842 3.022 6.633 1.00 0.00 H new ATOM 0 HG CYS A 118 -5.590 2.032 4.332 1.00 0.00 H new ATOM 1741 N GLU A 119 -7.276 6.090 6.749 1.00 0.00 N ATOM 1742 CA GLU A 119 -8.189 7.157 6.357 1.00 0.00 C ATOM 1743 C GLU A 119 -8.634 6.986 4.906 1.00 0.00 C ATOM 1744 O GLU A 119 -7.888 6.467 4.077 1.00 0.00 O ATOM 1745 CB GLU A 119 -7.524 8.522 6.541 1.00 0.00 C ATOM 1746 CG GLU A 119 -7.350 8.922 7.998 1.00 0.00 C ATOM 1747 CD GLU A 119 -5.929 8.731 8.488 1.00 0.00 C ATOM 1748 OE1 GLU A 119 -5.192 7.931 7.875 1.00 0.00 O ATOM 1749 OE2 GLU A 119 -5.553 9.381 9.486 1.00 0.00 O ATOM 0 H GLU A 119 -6.294 6.365 6.780 1.00 0.00 H new ATOM 0 HA GLU A 119 -9.069 7.101 6.998 1.00 0.00 H new ATOM 0 HB2 GLU A 119 -6.547 8.509 6.057 1.00 0.00 H new ATOM 0 HB3 GLU A 119 -8.121 9.279 6.034 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -7.636 9.967 8.121 1.00 0.00 H new ATOM 0 HG3 GLU A 119 -8.026 8.332 8.616 1.00 0.00 H new ATOM 1756 N PRO A 120 -9.863 7.424 4.577 1.00 0.00 N ATOM 1757 CA PRO A 120 -10.402 7.316 3.216 1.00 0.00 C ATOM 1758 C PRO A 120 -9.530 8.033 2.190 1.00 0.00 C ATOM 1759 O PRO A 120 -8.937 9.072 2.481 1.00 0.00 O ATOM 1760 CB PRO A 120 -11.773 7.993 3.313 1.00 0.00 C ATOM 1761 CG PRO A 120 -12.124 7.955 4.761 1.00 0.00 C ATOM 1762 CD PRO A 120 -10.821 8.054 5.502 1.00 0.00 C ATOM 0 HA PRO A 120 -10.448 6.280 2.882 1.00 0.00 H new ATOM 0 HB2 PRO A 120 -11.733 9.018 2.944 1.00 0.00 H new ATOM 0 HB3 PRO A 120 -12.516 7.467 2.713 1.00 0.00 H new ATOM 0 HG2 PRO A 120 -12.787 8.779 5.024 1.00 0.00 H new ATOM 0 HG3 PRO A 120 -12.647 7.032 5.012 1.00 0.00 H new ATOM 0 HD2 PRO A 120 -10.555 9.090 5.714 1.00 0.00 H new ATOM 0 HD3 PRO A 120 -10.860 7.533 6.458 1.00 0.00 H new ATOM 1770 N LEU A 121 -9.460 7.471 0.988 1.00 0.00 N ATOM 1771 CA LEU A 121 -8.665 8.057 -0.087 1.00 0.00 C ATOM 1772 C LEU A 121 -7.187 8.120 0.294 1.00 0.00 C ATOM 1773 O LEU A 121 -6.538 9.153 0.133 1.00 0.00 O ATOM 1774 CB LEU A 121 -9.178 9.460 -0.420 1.00 0.00 C ATOM 1775 CG LEU A 121 -10.699 9.587 -0.515 1.00 0.00 C ATOM 1776 CD1 LEU A 121 -11.160 10.928 0.036 1.00 0.00 C ATOM 1777 CD2 LEU A 121 -11.160 9.417 -1.955 1.00 0.00 C ATOM 0 H LEU A 121 -9.944 6.610 0.733 1.00 0.00 H new ATOM 0 HA LEU A 121 -8.765 7.420 -0.966 1.00 0.00 H new ATOM 0 HB2 LEU A 121 -8.818 10.152 0.341 1.00 0.00 H new ATOM 0 HB3 LEU A 121 -8.742 9.774 -1.369 1.00 0.00 H new ATOM 0 HG LEU A 121 -11.147 8.796 0.087 1.00 0.00 H new ATOM 0 HD11 LEU A 121 -12.245 10.999 -0.040 1.00 0.00 H new ATOM 0 HD12 LEU A 121 -10.864 11.013 1.081 1.00 0.00 H new ATOM 0 HD13 LEU A 121 -10.702 11.734 -0.538 1.00 0.00 H new ATOM 0 HD21 LEU A 121 -12.245 9.510 -2.003 1.00 0.00 H new ATOM 0 HD22 LEU A 121 -10.702 10.186 -2.577 1.00 0.00 H new ATOM 0 HD23 LEU A 121 -10.864 8.433 -2.318 1.00 0.00 H new ATOM 1789 N LYS A 122 -6.662 7.006 0.796 1.00 0.00 N ATOM 1790 CA LYS A 122 -5.261 6.936 1.195 1.00 0.00 C ATOM 1791 C LYS A 122 -4.726 5.515 1.050 1.00 0.00 C ATOM 1792 O LYS A 122 -3.677 5.294 0.445 1.00 0.00 O ATOM 1793 CB LYS A 122 -5.094 7.412 2.638 1.00 0.00 C ATOM 1794 CG LYS A 122 -4.800 8.899 2.759 1.00 0.00 C ATOM 1795 CD LYS A 122 -5.503 9.511 3.959 1.00 0.00 C ATOM 1796 CE LYS A 122 -5.520 11.030 3.883 1.00 0.00 C ATOM 1797 NZ LYS A 122 -4.785 11.651 5.021 1.00 0.00 N ATOM 0 H LYS A 122 -7.185 6.141 0.936 1.00 0.00 H new ATOM 0 HA LYS A 122 -4.689 7.590 0.537 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -6.003 7.184 3.194 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -4.285 6.851 3.105 1.00 0.00 H new ATOM 0 HG2 LYS A 122 -3.725 9.052 2.849 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -5.119 9.409 1.850 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -6.526 9.137 4.012 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -5.001 9.197 4.874 1.00 0.00 H new ATOM 0 HE2 LYS A 122 -5.072 11.352 2.943 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -6.552 11.382 3.882 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -4.820 12.687 4.933 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -5.228 11.365 5.918 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -3.794 11.335 5.008 1.00 0.00 H new ATOM 1811 N GLY A 123 -5.454 4.554 1.609 1.00 0.00 N ATOM 1812 CA GLY A 123 -5.037 3.167 1.530 1.00 0.00 C ATOM 1813 C GLY A 123 -4.962 2.664 0.102 1.00 0.00 C ATOM 1814 O GLY A 123 -5.987 2.376 -0.517 1.00 0.00 O ATOM 0 H GLY A 123 -6.325 4.711 2.115 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -4.061 3.057 2.002 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -5.735 2.548 2.094 1.00 0.00 H new ATOM 1818 N ILE A 124 -3.746 2.559 -0.423 1.00 0.00 N ATOM 1819 CA ILE A 124 -3.539 2.089 -1.787 1.00 0.00 C ATOM 1820 C ILE A 124 -2.708 0.809 -1.808 1.00 0.00 C ATOM 1821 O ILE A 124 -1.716 0.690 -1.089 1.00 0.00 O ATOM 1822 CB ILE A 124 -2.843 3.161 -2.651 1.00 0.00 C ATOM 1823 CG1 ILE A 124 -2.726 2.687 -4.101 1.00 0.00 C ATOM 1824 CG2 ILE A 124 -1.471 3.495 -2.083 1.00 0.00 C ATOM 1825 CD1 ILE A 124 -2.235 3.760 -5.050 1.00 0.00 C ATOM 0 H ILE A 124 -2.888 2.793 0.076 1.00 0.00 H new ATOM 0 HA ILE A 124 -4.524 1.883 -2.205 1.00 0.00 H new ATOM 0 HB ILE A 124 -3.450 4.066 -2.634 1.00 0.00 H new ATOM 0 HG12 ILE A 124 -2.045 1.837 -4.143 1.00 0.00 H new ATOM 0 HG13 ILE A 124 -3.700 2.333 -4.439 1.00 0.00 H new ATOM 0 HG21 ILE A 124 -0.994 4.253 -2.705 1.00 0.00 H new ATOM 0 HG22 ILE A 124 -1.580 3.875 -1.067 1.00 0.00 H new ATOM 0 HG23 ILE A 124 -0.854 2.596 -2.069 1.00 0.00 H new ATOM 0 HD11 ILE A 124 -2.176 3.354 -6.060 1.00 0.00 H new ATOM 0 HD12 ILE A 124 -2.927 4.602 -5.037 1.00 0.00 H new ATOM 0 HD13 ILE A 124 -1.247 4.098 -4.737 1.00 0.00 H new ATOM 1837 N PHE A 125 -3.121 -0.145 -2.636 1.00 0.00 N ATOM 1838 CA PHE A 125 -2.417 -1.416 -2.751 1.00 0.00 C ATOM 1839 C PHE A 125 -1.552 -1.446 -4.007 1.00 0.00 C ATOM 1840 O PHE A 125 -2.006 -1.090 -5.094 1.00 0.00 O ATOM 1841 CB PHE A 125 -3.416 -2.575 -2.778 1.00 0.00 C ATOM 1842 CG PHE A 125 -3.693 -3.160 -1.422 1.00 0.00 C ATOM 1843 CD1 PHE A 125 -4.625 -2.575 -0.580 1.00 0.00 C ATOM 1844 CD2 PHE A 125 -3.023 -4.294 -0.991 1.00 0.00 C ATOM 1845 CE1 PHE A 125 -4.883 -3.111 0.668 1.00 0.00 C ATOM 1846 CE2 PHE A 125 -3.277 -4.833 0.254 1.00 0.00 C ATOM 1847 CZ PHE A 125 -4.209 -4.241 1.086 1.00 0.00 C ATOM 0 H PHE A 125 -3.940 -0.061 -3.238 1.00 0.00 H new ATOM 0 HA PHE A 125 -1.768 -1.524 -1.882 1.00 0.00 H new ATOM 0 HB2 PHE A 125 -4.353 -2.227 -3.213 1.00 0.00 H new ATOM 0 HB3 PHE A 125 -3.033 -3.359 -3.432 1.00 0.00 H new ATOM 0 HD1 PHE A 125 -5.155 -1.691 -0.902 1.00 0.00 H new ATOM 0 HD2 PHE A 125 -2.294 -4.761 -1.637 1.00 0.00 H new ATOM 0 HE1 PHE A 125 -5.611 -2.646 1.316 1.00 0.00 H new ATOM 0 HE2 PHE A 125 -2.748 -5.717 0.578 1.00 0.00 H new ATOM 0 HZ PHE A 125 -4.409 -4.661 2.060 1.00 0.00 H new ATOM 1857 N THR A 126 -0.303 -1.874 -3.850 1.00 0.00 N ATOM 1858 CA THR A 126 0.624 -1.951 -4.972 1.00 0.00 C ATOM 1859 C THR A 126 1.764 -2.919 -4.672 1.00 0.00 C ATOM 1860 O THR A 126 1.932 -3.362 -3.536 1.00 0.00 O ATOM 1861 CB THR A 126 1.188 -0.565 -5.292 1.00 0.00 C ATOM 1862 OG1 THR A 126 2.151 -0.642 -6.327 1.00 0.00 O ATOM 1863 CG2 THR A 126 1.843 0.103 -4.103 1.00 0.00 C ATOM 0 H THR A 126 0.089 -2.172 -2.957 1.00 0.00 H new ATOM 0 HA THR A 126 0.075 -2.321 -5.838 1.00 0.00 H new ATOM 0 HB THR A 126 0.329 0.033 -5.596 1.00 0.00 H new ATOM 0 HG1 THR A 126 3.039 -0.784 -5.938 1.00 0.00 H new ATOM 0 HG21 THR A 126 2.221 1.082 -4.398 1.00 0.00 H new ATOM 0 HG22 THR A 126 1.111 0.223 -3.304 1.00 0.00 H new ATOM 0 HG23 THR A 126 2.669 -0.514 -3.749 1.00 0.00 H new ATOM 1871 N ARG A 127 2.544 -3.244 -5.697 1.00 0.00 N ATOM 1872 CA ARG A 127 3.668 -4.160 -5.543 1.00 0.00 C ATOM 1873 C ARG A 127 4.793 -3.510 -4.739 1.00 0.00 C ATOM 1874 O ARG A 127 5.184 -2.376 -5.014 1.00 0.00 O ATOM 1875 CB ARG A 127 4.189 -4.593 -6.915 1.00 0.00 C ATOM 1876 CG ARG A 127 5.197 -5.730 -6.853 1.00 0.00 C ATOM 1877 CD ARG A 127 4.531 -7.081 -7.061 1.00 0.00 C ATOM 1878 NE ARG A 127 5.219 -7.881 -8.071 1.00 0.00 N ATOM 1879 CZ ARG A 127 5.218 -7.595 -9.371 1.00 0.00 C ATOM 1880 NH1 ARG A 127 4.566 -6.530 -9.822 1.00 0.00 N ATOM 1881 NH2 ARG A 127 5.871 -8.374 -10.222 1.00 0.00 N ATOM 0 H ARG A 127 2.418 -2.886 -6.644 1.00 0.00 H new ATOM 0 HA ARG A 127 3.319 -5.039 -5.000 1.00 0.00 H new ATOM 0 HB2 ARG A 127 3.346 -4.900 -7.534 1.00 0.00 H new ATOM 0 HB3 ARG A 127 4.650 -3.736 -7.406 1.00 0.00 H new ATOM 0 HG2 ARG A 127 5.963 -5.580 -7.614 1.00 0.00 H new ATOM 0 HG3 ARG A 127 5.701 -5.717 -5.887 1.00 0.00 H new ATOM 0 HD2 ARG A 127 4.514 -7.626 -6.117 1.00 0.00 H new ATOM 0 HD3 ARG A 127 3.494 -6.931 -7.362 1.00 0.00 H new ATOM 0 HE ARG A 127 5.730 -8.708 -7.762 1.00 0.00 H new ATOM 0 HH11 ARG A 127 4.063 -5.927 -9.171 1.00 0.00 H new ATOM 0 HH12 ARG A 127 4.568 -6.315 -10.819 1.00 0.00 H new ATOM 0 HH21 ARG A 127 6.374 -9.193 -9.881 1.00 0.00 H new ATOM 0 HH22 ARG A 127 5.870 -8.155 -11.218 1.00 0.00 H new ATOM 1895 N PRO A 128 5.333 -4.217 -3.730 1.00 0.00 N ATOM 1896 CA PRO A 128 6.418 -3.692 -2.893 1.00 0.00 C ATOM 1897 C PRO A 128 7.620 -3.248 -3.719 1.00 0.00 C ATOM 1898 O PRO A 128 8.254 -2.238 -3.417 1.00 0.00 O ATOM 1899 CB PRO A 128 6.796 -4.877 -2.001 1.00 0.00 C ATOM 1900 CG PRO A 128 5.588 -5.747 -1.983 1.00 0.00 C ATOM 1901 CD PRO A 128 4.933 -5.578 -3.325 1.00 0.00 C ATOM 0 HA PRO A 128 6.107 -2.808 -2.336 1.00 0.00 H new ATOM 0 HB2 PRO A 128 7.660 -5.410 -2.398 1.00 0.00 H new ATOM 0 HB3 PRO A 128 7.059 -4.546 -0.996 1.00 0.00 H new ATOM 0 HG2 PRO A 128 5.860 -6.788 -1.810 1.00 0.00 H new ATOM 0 HG3 PRO A 128 4.911 -5.457 -1.180 1.00 0.00 H new ATOM 0 HD2 PRO A 128 5.278 -6.327 -4.038 1.00 0.00 H new ATOM 0 HD3 PRO A 128 3.849 -5.676 -3.259 1.00 0.00 H new ATOM 1909 N SER A 129 7.929 -4.015 -4.761 1.00 0.00 N ATOM 1910 CA SER A 129 9.058 -3.705 -5.631 1.00 0.00 C ATOM 1911 C SER A 129 8.910 -2.320 -6.254 1.00 0.00 C ATOM 1912 O SER A 129 9.902 -1.670 -6.583 1.00 0.00 O ATOM 1913 CB SER A 129 9.186 -4.763 -6.731 1.00 0.00 C ATOM 1914 OG SER A 129 8.021 -5.565 -6.808 1.00 0.00 O ATOM 0 H SER A 129 7.413 -4.855 -5.023 1.00 0.00 H new ATOM 0 HA SER A 129 9.962 -3.710 -5.022 1.00 0.00 H new ATOM 0 HB2 SER A 129 9.359 -4.275 -7.690 1.00 0.00 H new ATOM 0 HB3 SER A 129 10.053 -5.394 -6.533 1.00 0.00 H new ATOM 0 HG SER A 129 8.129 -6.231 -7.519 1.00 0.00 H new ATOM 1920 N LYS A 130 7.668 -1.872 -6.412 1.00 0.00 N ATOM 1921 CA LYS A 130 7.399 -0.562 -6.995 1.00 0.00 C ATOM 1922 C LYS A 130 7.718 0.550 -6.002 1.00 0.00 C ATOM 1923 O LYS A 130 8.115 1.648 -6.390 1.00 0.00 O ATOM 1924 CB LYS A 130 5.936 -0.464 -7.435 1.00 0.00 C ATOM 1925 CG LYS A 130 5.636 -1.216 -8.722 1.00 0.00 C ATOM 1926 CD LYS A 130 4.710 -0.421 -9.632 1.00 0.00 C ATOM 1927 CE LYS A 130 3.468 -1.217 -10.002 1.00 0.00 C ATOM 1928 NZ LYS A 130 3.558 -1.784 -11.375 1.00 0.00 N ATOM 0 H LYS A 130 6.834 -2.395 -6.145 1.00 0.00 H new ATOM 0 HA LYS A 130 8.041 -0.443 -7.868 1.00 0.00 H new ATOM 0 HB2 LYS A 130 5.299 -0.853 -6.640 1.00 0.00 H new ATOM 0 HB3 LYS A 130 5.675 0.586 -7.568 1.00 0.00 H new ATOM 0 HG2 LYS A 130 6.568 -1.428 -9.246 1.00 0.00 H new ATOM 0 HG3 LYS A 130 5.178 -2.176 -8.485 1.00 0.00 H new ATOM 0 HD2 LYS A 130 4.416 0.503 -9.134 1.00 0.00 H new ATOM 0 HD3 LYS A 130 5.245 -0.138 -10.539 1.00 0.00 H new ATOM 0 HE2 LYS A 130 3.328 -2.025 -9.284 1.00 0.00 H new ATOM 0 HE3 LYS A 130 2.591 -0.574 -9.932 1.00 0.00 H new ATOM 0 HZ1 LYS A 130 2.692 -2.319 -11.587 1.00 0.00 H new ATOM 0 HZ2 LYS A 130 3.665 -1.012 -12.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 130 4.380 -2.418 -11.435 1.00 0.00 H new ATOM 1942 N LEU A 131 7.544 0.255 -4.718 1.00 0.00 N ATOM 1943 CA LEU A 131 7.814 1.228 -3.666 1.00 0.00 C ATOM 1944 C LEU A 131 9.276 1.664 -3.690 1.00 0.00 C ATOM 1945 O LEU A 131 10.173 0.852 -3.915 1.00 0.00 O ATOM 1946 CB LEU A 131 7.467 0.637 -2.299 1.00 0.00 C ATOM 1947 CG LEU A 131 6.081 -0.001 -2.201 1.00 0.00 C ATOM 1948 CD1 LEU A 131 5.834 -0.533 -0.798 1.00 0.00 C ATOM 1949 CD2 LEU A 131 5.006 1.004 -2.588 1.00 0.00 C ATOM 0 H LEU A 131 7.217 -0.650 -4.381 1.00 0.00 H new ATOM 0 HA LEU A 131 7.191 2.104 -3.845 1.00 0.00 H new ATOM 0 HB2 LEU A 131 8.215 -0.114 -2.045 1.00 0.00 H new ATOM 0 HB3 LEU A 131 7.541 1.426 -1.550 1.00 0.00 H new ATOM 0 HG LEU A 131 6.038 -0.839 -2.897 1.00 0.00 H new ATOM 0 HD11 LEU A 131 4.842 -0.983 -0.749 1.00 0.00 H new ATOM 0 HD12 LEU A 131 6.586 -1.284 -0.556 1.00 0.00 H new ATOM 0 HD13 LEU A 131 5.896 0.286 -0.082 1.00 0.00 H new ATOM 0 HD21 LEU A 131 4.025 0.535 -2.513 1.00 0.00 H new ATOM 0 HD22 LEU A 131 5.050 1.861 -1.916 1.00 0.00 H new ATOM 0 HD23 LEU A 131 5.171 1.337 -3.613 1.00 0.00 H new ATOM 1961 N THR A 132 9.508 2.953 -3.457 1.00 0.00 N ATOM 1962 CA THR A 132 10.861 3.497 -3.453 1.00 0.00 C ATOM 1963 C THR A 132 11.125 4.291 -2.176 1.00 0.00 C ATOM 1964 O THR A 132 10.252 4.405 -1.315 1.00 0.00 O ATOM 1965 CB THR A 132 11.078 4.391 -4.674 1.00 0.00 C ATOM 1966 OG1 THR A 132 10.358 5.604 -4.541 1.00 0.00 O ATOM 1967 CG2 THR A 132 10.649 3.743 -5.973 1.00 0.00 C ATOM 0 H THR A 132 8.777 3.639 -3.269 1.00 0.00 H new ATOM 0 HA THR A 132 11.560 2.662 -3.493 1.00 0.00 H new ATOM 0 HB THR A 132 12.152 4.571 -4.714 1.00 0.00 H new ATOM 0 HG1 THR A 132 10.655 6.238 -5.227 1.00 0.00 H new ATOM 0 HG21 THR A 132 10.830 4.430 -6.800 1.00 0.00 H new ATOM 0 HG22 THR A 132 11.221 2.829 -6.130 1.00 0.00 H new ATOM 0 HG23 THR A 132 9.587 3.503 -5.926 1.00 0.00 H new ATOM 1975 N ARG A 133 12.332 4.836 -2.060 1.00 0.00 N ATOM 1976 CA ARG A 133 12.708 5.618 -0.888 1.00 0.00 C ATOM 1977 C ARG A 133 13.140 7.026 -1.288 1.00 0.00 C ATOM 1978 O ARG A 133 14.124 7.203 -2.005 1.00 0.00 O ATOM 1979 CB ARG A 133 13.836 4.919 -0.122 1.00 0.00 C ATOM 1980 CG ARG A 133 13.515 4.678 1.345 1.00 0.00 C ATOM 1981 CD ARG A 133 14.757 4.794 2.216 1.00 0.00 C ATOM 1982 NE ARG A 133 14.651 5.886 3.181 1.00 0.00 N ATOM 1983 CZ ARG A 133 15.409 5.990 4.270 1.00 0.00 C ATOM 1984 NH1 ARG A 133 16.330 5.073 4.537 1.00 0.00 N ATOM 1985 NH2 ARG A 133 15.247 7.016 5.094 1.00 0.00 N ATOM 0 H ARG A 133 13.066 4.750 -2.763 1.00 0.00 H new ATOM 0 HA ARG A 133 11.836 5.698 -0.240 1.00 0.00 H new ATOM 0 HB2 ARG A 133 14.051 3.963 -0.600 1.00 0.00 H new ATOM 0 HB3 ARG A 133 14.741 5.522 -0.193 1.00 0.00 H new ATOM 0 HG2 ARG A 133 12.768 5.399 1.678 1.00 0.00 H new ATOM 0 HG3 ARG A 133 13.077 3.687 1.464 1.00 0.00 H new ATOM 0 HD2 ARG A 133 14.916 3.855 2.747 1.00 0.00 H new ATOM 0 HD3 ARG A 133 15.630 4.954 1.583 1.00 0.00 H new ATOM 0 HE ARG A 133 13.955 6.612 3.010 1.00 0.00 H new ATOM 0 HH11 ARG A 133 16.460 4.282 3.906 1.00 0.00 H new ATOM 0 HH12 ARG A 133 16.908 5.159 5.373 1.00 0.00 H new ATOM 0 HH21 ARG A 133 14.542 7.725 4.893 1.00 0.00 H new ATOM 0 HH22 ARG A 133 15.828 7.096 5.929 1.00 0.00 H new ATOM 1999 N LYS A 134 12.395 8.022 -0.821 1.00 0.00 N ATOM 2000 CA LYS A 134 12.699 9.416 -1.128 1.00 0.00 C ATOM 2001 C LYS A 134 12.696 9.655 -2.636 1.00 0.00 C ATOM 2002 O LYS A 134 13.429 10.503 -3.142 1.00 0.00 O ATOM 2003 CB LYS A 134 14.057 9.806 -0.536 1.00 0.00 C ATOM 2004 CG LYS A 134 13.958 10.815 0.597 1.00 0.00 C ATOM 2005 CD LYS A 134 13.234 10.232 1.800 1.00 0.00 C ATOM 2006 CE LYS A 134 12.736 11.324 2.733 1.00 0.00 C ATOM 2007 NZ LYS A 134 12.889 10.944 4.165 1.00 0.00 N ATOM 0 H LYS A 134 11.576 7.890 -0.228 1.00 0.00 H new ATOM 0 HA LYS A 134 11.925 10.039 -0.680 1.00 0.00 H new ATOM 0 HB2 LYS A 134 14.556 8.909 -0.170 1.00 0.00 H new ATOM 0 HB3 LYS A 134 14.684 10.219 -1.326 1.00 0.00 H new ATOM 0 HG2 LYS A 134 14.958 11.132 0.892 1.00 0.00 H new ATOM 0 HG3 LYS A 134 13.431 11.704 0.249 1.00 0.00 H new ATOM 0 HD2 LYS A 134 12.392 9.629 1.462 1.00 0.00 H new ATOM 0 HD3 LYS A 134 13.905 9.566 2.343 1.00 0.00 H new ATOM 0 HE2 LYS A 134 13.287 12.245 2.541 1.00 0.00 H new ATOM 0 HE3 LYS A 134 11.687 11.531 2.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 134 12.538 11.715 4.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 134 12.343 10.080 4.355 1.00 0.00 H new ATOM 0 HZ3 LYS A 134 13.893 10.772 4.373 1.00 0.00 H new