USER MOD reduce.3.24.130724 H: found=0, std=0, add=552, rem=0, adj=10 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= -0.257 K(o=-0.26,f=-1.7!) USER MOD Single : A 76 ASN : amide:sc= -1.92 X(o=-1.9,f=-2.3!) USER MOD Single : A 77 LYS NZ :NH3+ -135:sc= 0 (180deg=-0.154) USER MOD Single : A 82 GLN : amide:sc= -0.163 X(o=-0.16,f=0) USER MOD Single : A 87 THR OG1 : rot 152:sc= 0.447 USER MOD Single : A 88 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 93 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 ASN : amide:sc=-0.00201 K(o=-0.002,f=-0.61) USER MOD Single : A 109 SER OG : rot -24:sc= -0.963 USER MOD Single : A 115 TYR OH : rot -16:sc= -0.168 USER MOD Single : A 117 GLN : amide:sc= -0.127 X(o=-0.13,f=-0.15) USER MOD Single : A 118 CYS SG : rot -138:sc= -1.25 USER MOD Single : A 122 LYS NZ :NH3+ -118:sc= 1.22 (180deg=0.396) USER MOD Single : A 126 THR OG1 : rot 180:sc= -0.369 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 -49:sc= -0.753 USER MOD Single : A 134 LYS NZ :NH3+ -125:sc= -0.128 (180deg=-0.934) USER MOD ----------------------------------------------------------------- ATOM 915 N PHE A 65 9.600 -5.243 2.635 1.00 0.00 N ATOM 916 CA PHE A 65 9.628 -4.015 3.420 1.00 0.00 C ATOM 917 C PHE A 65 9.140 -4.268 4.843 1.00 0.00 C ATOM 918 O PHE A 65 8.765 -5.387 5.191 1.00 0.00 O ATOM 919 CB PHE A 65 8.767 -2.940 2.756 1.00 0.00 C ATOM 920 CG PHE A 65 9.479 -2.187 1.669 1.00 0.00 C ATOM 921 CD1 PHE A 65 9.690 -2.770 0.429 1.00 0.00 C ATOM 922 CD2 PHE A 65 9.938 -0.899 1.887 1.00 0.00 C ATOM 923 CE1 PHE A 65 10.345 -2.080 -0.573 1.00 0.00 C ATOM 924 CE2 PHE A 65 10.595 -0.204 0.889 1.00 0.00 C ATOM 925 CZ PHE A 65 10.799 -0.795 -0.343 1.00 0.00 C ATOM 0 HA PHE A 65 10.660 -3.666 3.466 1.00 0.00 H new ATOM 0 HB2 PHE A 65 7.875 -3.407 2.339 1.00 0.00 H new ATOM 0 HB3 PHE A 65 8.432 -2.234 3.516 1.00 0.00 H new ATOM 0 HD1 PHE A 65 9.339 -3.774 0.244 1.00 0.00 H new ATOM 0 HD2 PHE A 65 9.781 -0.432 2.848 1.00 0.00 H new ATOM 0 HE1 PHE A 65 10.502 -2.544 -1.535 1.00 0.00 H new ATOM 0 HE2 PHE A 65 10.948 0.800 1.072 1.00 0.00 H new ATOM 0 HZ PHE A 65 11.312 -0.254 -1.124 1.00 0.00 H new ATOM 935 N ARG A 66 9.148 -3.219 5.659 1.00 0.00 N ATOM 936 CA ARG A 66 8.705 -3.326 7.045 1.00 0.00 C ATOM 937 C ARG A 66 7.462 -2.475 7.287 1.00 0.00 C ATOM 938 O ARG A 66 7.230 -1.486 6.592 1.00 0.00 O ATOM 939 CB ARG A 66 9.828 -2.899 7.995 1.00 0.00 C ATOM 940 CG ARG A 66 10.401 -4.048 8.811 1.00 0.00 C ATOM 941 CD ARG A 66 11.921 -4.076 8.746 1.00 0.00 C ATOM 942 NE ARG A 66 12.506 -4.745 9.905 1.00 0.00 N ATOM 943 CZ ARG A 66 13.796 -4.679 10.226 1.00 0.00 C ATOM 944 NH1 ARG A 66 14.637 -3.974 9.480 1.00 0.00 N ATOM 945 NH2 ARG A 66 14.247 -5.319 11.297 1.00 0.00 N ATOM 0 H ARG A 66 9.456 -2.286 5.385 1.00 0.00 H new ATOM 0 HA ARG A 66 8.451 -4.368 7.241 1.00 0.00 H new ATOM 0 HB2 ARG A 66 10.629 -2.440 7.415 1.00 0.00 H new ATOM 0 HB3 ARG A 66 9.448 -2.135 8.674 1.00 0.00 H new ATOM 0 HG2 ARG A 66 10.082 -3.953 9.849 1.00 0.00 H new ATOM 0 HG3 ARG A 66 10.003 -4.993 8.441 1.00 0.00 H new ATOM 0 HD2 ARG A 66 12.236 -4.586 7.836 1.00 0.00 H new ATOM 0 HD3 ARG A 66 12.300 -3.056 8.687 1.00 0.00 H new ATOM 0 HE ARG A 66 11.890 -5.295 10.504 1.00 0.00 H new ATOM 0 HH11 ARG A 66 14.296 -3.479 8.656 1.00 0.00 H new ATOM 0 HH12 ARG A 66 15.625 -3.927 9.731 1.00 0.00 H new ATOM 0 HH21 ARG A 66 13.605 -5.862 11.875 1.00 0.00 H new ATOM 0 HH22 ARG A 66 15.236 -5.268 11.543 1.00 0.00 H new ATOM 959 N VAL A 67 6.667 -2.866 8.278 1.00 0.00 N ATOM 960 CA VAL A 67 5.448 -2.139 8.611 1.00 0.00 C ATOM 961 C VAL A 67 5.745 -0.965 9.538 1.00 0.00 C ATOM 962 O VAL A 67 6.138 -1.153 10.689 1.00 0.00 O ATOM 963 CB VAL A 67 4.411 -3.058 9.284 1.00 0.00 C ATOM 964 CG1 VAL A 67 3.082 -2.340 9.442 1.00 0.00 C ATOM 965 CG2 VAL A 67 4.241 -4.343 8.487 1.00 0.00 C ATOM 0 H VAL A 67 6.845 -3.682 8.864 1.00 0.00 H new ATOM 0 HA VAL A 67 5.037 -1.765 7.673 1.00 0.00 H new ATOM 0 HB VAL A 67 4.775 -3.319 10.278 1.00 0.00 H new ATOM 0 HG11 VAL A 67 2.363 -3.006 9.919 1.00 0.00 H new ATOM 0 HG12 VAL A 67 3.219 -1.452 10.059 1.00 0.00 H new ATOM 0 HG13 VAL A 67 2.708 -2.046 8.461 1.00 0.00 H new ATOM 0 HG21 VAL A 67 3.505 -4.980 8.977 1.00 0.00 H new ATOM 0 HG22 VAL A 67 3.901 -4.104 7.479 1.00 0.00 H new ATOM 0 HG23 VAL A 67 5.195 -4.867 8.433 1.00 0.00 H new ATOM 975 N GLY A 68 5.556 0.247 9.027 1.00 0.00 N ATOM 976 CA GLY A 68 5.808 1.435 9.822 1.00 0.00 C ATOM 977 C GLY A 68 7.006 2.220 9.325 1.00 0.00 C ATOM 978 O GLY A 68 7.829 2.678 10.119 1.00 0.00 O ATOM 0 H GLY A 68 5.233 0.428 8.077 1.00 0.00 H new ATOM 0 HA2 GLY A 68 4.925 2.074 9.804 1.00 0.00 H new ATOM 0 HA3 GLY A 68 5.972 1.146 10.860 1.00 0.00 H new ATOM 982 N GLU A 69 7.105 2.377 8.009 1.00 0.00 N ATOM 983 CA GLU A 69 8.211 3.112 7.409 1.00 0.00 C ATOM 984 C GLU A 69 7.722 3.992 6.261 1.00 0.00 C ATOM 985 O GLU A 69 6.717 3.687 5.619 1.00 0.00 O ATOM 986 CB GLU A 69 9.280 2.142 6.902 1.00 0.00 C ATOM 987 CG GLU A 69 9.781 1.180 7.968 1.00 0.00 C ATOM 988 CD GLU A 69 11.292 1.190 8.101 1.00 0.00 C ATOM 989 OE1 GLU A 69 11.827 2.131 8.723 1.00 0.00 O ATOM 990 OE2 GLU A 69 11.940 0.257 7.582 1.00 0.00 O ATOM 0 H GLU A 69 6.433 2.005 7.338 1.00 0.00 H new ATOM 0 HA GLU A 69 8.645 3.754 8.176 1.00 0.00 H new ATOM 0 HB2 GLU A 69 8.873 1.569 6.069 1.00 0.00 H new ATOM 0 HB3 GLU A 69 10.123 2.713 6.514 1.00 0.00 H new ATOM 0 HG2 GLU A 69 9.334 1.442 8.927 1.00 0.00 H new ATOM 0 HG3 GLU A 69 9.448 0.171 7.726 1.00 0.00 H new ATOM 997 N ARG A 70 8.439 5.081 6.010 1.00 0.00 N ATOM 998 CA ARG A 70 8.078 6.004 4.940 1.00 0.00 C ATOM 999 C ARG A 70 8.550 5.482 3.587 1.00 0.00 C ATOM 1000 O ARG A 70 9.743 5.260 3.378 1.00 0.00 O ATOM 1001 CB ARG A 70 8.679 7.386 5.204 1.00 0.00 C ATOM 1002 CG ARG A 70 7.908 8.521 4.553 1.00 0.00 C ATOM 1003 CD ARG A 70 6.653 8.865 5.339 1.00 0.00 C ATOM 1004 NE ARG A 70 5.958 10.023 4.783 1.00 0.00 N ATOM 1005 CZ ARG A 70 6.328 11.284 4.997 1.00 0.00 C ATOM 1006 NH1 ARG A 70 7.386 11.553 5.753 1.00 0.00 N ATOM 1007 NH2 ARG A 70 5.641 12.278 4.453 1.00 0.00 N ATOM 0 H ARG A 70 9.274 5.347 6.533 1.00 0.00 H new ATOM 0 HA ARG A 70 6.991 6.086 4.918 1.00 0.00 H new ATOM 0 HB2 ARG A 70 8.719 7.556 6.280 1.00 0.00 H new ATOM 0 HB3 ARG A 70 9.707 7.401 4.841 1.00 0.00 H new ATOM 0 HG2 ARG A 70 8.546 9.402 4.481 1.00 0.00 H new ATOM 0 HG3 ARG A 70 7.636 8.241 3.535 1.00 0.00 H new ATOM 0 HD2 ARG A 70 5.981 8.007 5.343 1.00 0.00 H new ATOM 0 HD3 ARG A 70 6.919 9.066 6.377 1.00 0.00 H new ATOM 0 HE ARG A 70 5.141 9.856 4.196 1.00 0.00 H new ATOM 0 HH11 ARG A 70 7.920 10.792 6.173 1.00 0.00 H new ATOM 0 HH12 ARG A 70 7.665 12.521 5.914 1.00 0.00 H new ATOM 0 HH21 ARG A 70 4.828 12.077 3.870 1.00 0.00 H new ATOM 0 HH22 ARG A 70 5.925 13.244 4.617 1.00 0.00 H new ATOM 1021 N VAL A 71 7.606 5.287 2.671 1.00 0.00 N ATOM 1022 CA VAL A 71 7.926 4.791 1.339 1.00 0.00 C ATOM 1023 C VAL A 71 7.208 5.601 0.264 1.00 0.00 C ATOM 1024 O VAL A 71 6.127 6.140 0.497 1.00 0.00 O ATOM 1025 CB VAL A 71 7.547 3.305 1.185 1.00 0.00 C ATOM 1026 CG1 VAL A 71 8.546 2.420 1.913 1.00 0.00 C ATOM 1027 CG2 VAL A 71 6.135 3.059 1.694 1.00 0.00 C ATOM 0 H VAL A 71 6.614 5.465 2.828 1.00 0.00 H new ATOM 0 HA VAL A 71 9.003 4.898 1.213 1.00 0.00 H new ATOM 0 HB VAL A 71 7.576 3.050 0.126 1.00 0.00 H new ATOM 0 HG11 VAL A 71 8.261 1.375 1.793 1.00 0.00 H new ATOM 0 HG12 VAL A 71 9.541 2.575 1.496 1.00 0.00 H new ATOM 0 HG13 VAL A 71 8.553 2.674 2.973 1.00 0.00 H new ATOM 0 HG21 VAL A 71 5.885 2.005 1.577 1.00 0.00 H new ATOM 0 HG22 VAL A 71 6.075 3.332 2.748 1.00 0.00 H new ATOM 0 HG23 VAL A 71 5.432 3.664 1.122 1.00 0.00 H new ATOM 1037 N TRP A 72 7.817 5.680 -0.915 1.00 0.00 N ATOM 1038 CA TRP A 72 7.238 6.423 -2.028 1.00 0.00 C ATOM 1039 C TRP A 72 6.791 5.478 -3.140 1.00 0.00 C ATOM 1040 O TRP A 72 7.618 4.890 -3.836 1.00 0.00 O ATOM 1041 CB TRP A 72 8.251 7.429 -2.579 1.00 0.00 C ATOM 1042 CG TRP A 72 8.269 8.727 -1.832 1.00 0.00 C ATOM 1043 CD1 TRP A 72 7.910 9.954 -2.312 1.00 0.00 C ATOM 1044 CD2 TRP A 72 8.670 8.929 -0.473 1.00 0.00 C ATOM 1045 NE1 TRP A 72 8.062 10.906 -1.333 1.00 0.00 N ATOM 1046 CE2 TRP A 72 8.527 10.301 -0.195 1.00 0.00 C ATOM 1047 CE3 TRP A 72 9.135 8.081 0.537 1.00 0.00 C ATOM 1048 CZ2 TRP A 72 8.832 10.844 1.051 1.00 0.00 C ATOM 1049 CZ3 TRP A 72 9.438 8.622 1.773 1.00 0.00 C ATOM 1050 CH2 TRP A 72 9.285 9.991 2.020 1.00 0.00 C ATOM 0 H TRP A 72 8.712 5.238 -1.124 1.00 0.00 H new ATOM 0 HA TRP A 72 6.365 6.960 -1.657 1.00 0.00 H new ATOM 0 HB2 TRP A 72 9.246 6.986 -2.546 1.00 0.00 H new ATOM 0 HB3 TRP A 72 8.024 7.625 -3.627 1.00 0.00 H new ATOM 0 HD1 TRP A 72 7.558 10.148 -3.315 1.00 0.00 H new ATOM 0 HE1 TRP A 72 7.861 11.901 -1.437 1.00 0.00 H new ATOM 0 HE3 TRP A 72 9.255 7.023 0.355 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 8.715 11.900 1.245 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 9.799 7.977 2.561 1.00 0.00 H new ATOM 0 HH2 TRP A 72 9.530 10.382 2.996 1.00 0.00 H new ATOM 1061 N VAL A 73 5.479 5.338 -3.300 1.00 0.00 N ATOM 1062 CA VAL A 73 4.928 4.466 -4.329 1.00 0.00 C ATOM 1063 C VAL A 73 5.138 5.056 -5.719 1.00 0.00 C ATOM 1064 O VAL A 73 4.903 6.243 -5.943 1.00 0.00 O ATOM 1065 CB VAL A 73 3.423 4.216 -4.111 1.00 0.00 C ATOM 1066 CG1 VAL A 73 2.920 3.129 -5.049 1.00 0.00 C ATOM 1067 CG2 VAL A 73 3.146 3.850 -2.661 1.00 0.00 C ATOM 0 H VAL A 73 4.780 5.816 -2.732 1.00 0.00 H new ATOM 0 HA VAL A 73 5.459 3.517 -4.255 1.00 0.00 H new ATOM 0 HB VAL A 73 2.885 5.136 -4.338 1.00 0.00 H new ATOM 0 HG11 VAL A 73 1.855 2.967 -4.880 1.00 0.00 H new ATOM 0 HG12 VAL A 73 3.081 3.437 -6.082 1.00 0.00 H new ATOM 0 HG13 VAL A 73 3.463 2.203 -4.858 1.00 0.00 H new ATOM 0 HG21 VAL A 73 2.078 3.677 -2.527 1.00 0.00 H new ATOM 0 HG22 VAL A 73 3.695 2.945 -2.403 1.00 0.00 H new ATOM 0 HG23 VAL A 73 3.466 4.666 -2.012 1.00 0.00 H new ATOM 1077 N ASN A 74 5.587 4.221 -6.649 1.00 0.00 N ATOM 1078 CA ASN A 74 5.833 4.662 -8.018 1.00 0.00 C ATOM 1079 C ASN A 74 6.912 5.743 -8.064 1.00 0.00 C ATOM 1080 O ASN A 74 7.036 6.466 -9.052 1.00 0.00 O ATOM 1081 CB ASN A 74 4.538 5.189 -8.645 1.00 0.00 C ATOM 1082 CG ASN A 74 3.983 4.249 -9.698 1.00 0.00 C ATOM 1083 OD1 ASN A 74 4.721 3.484 -10.317 1.00 0.00 O ATOM 1084 ND2 ASN A 74 2.672 4.303 -9.906 1.00 0.00 N ATOM 0 H ASN A 74 5.788 3.235 -6.481 1.00 0.00 H new ATOM 0 HA ASN A 74 6.185 3.804 -8.590 1.00 0.00 H new ATOM 0 HB2 ASN A 74 3.792 5.336 -7.864 1.00 0.00 H new ATOM 0 HB3 ASN A 74 4.725 6.164 -9.094 1.00 0.00 H new ATOM 0 HD21 ASN A 74 2.241 3.695 -10.602 1.00 0.00 H new ATOM 0 HD22 ASN A 74 2.097 4.953 -9.370 1.00 0.00 H new ATOM 1091 N GLY A 75 7.693 5.848 -6.991 1.00 0.00 N ATOM 1092 CA GLY A 75 8.749 6.842 -6.939 1.00 0.00 C ATOM 1093 C GLY A 75 8.218 8.258 -6.832 1.00 0.00 C ATOM 1094 O GLY A 75 8.866 9.205 -7.277 1.00 0.00 O ATOM 0 H GLY A 75 7.613 5.263 -6.159 1.00 0.00 H new ATOM 0 HA2 GLY A 75 9.394 6.635 -6.085 1.00 0.00 H new ATOM 0 HA3 GLY A 75 9.366 6.757 -7.833 1.00 0.00 H new ATOM 1098 N ASN A 76 7.037 8.407 -6.239 1.00 0.00 N ATOM 1099 CA ASN A 76 6.424 9.722 -6.077 1.00 0.00 C ATOM 1100 C ASN A 76 5.087 9.618 -5.346 1.00 0.00 C ATOM 1101 O ASN A 76 4.057 10.071 -5.847 1.00 0.00 O ATOM 1102 CB ASN A 76 6.225 10.390 -7.439 1.00 0.00 C ATOM 1103 CG ASN A 76 5.380 9.551 -8.378 1.00 0.00 C ATOM 1104 OD1 ASN A 76 5.885 8.656 -9.055 1.00 0.00 O ATOM 1105 ND2 ASN A 76 4.084 9.840 -8.425 1.00 0.00 N ATOM 0 H ASN A 76 6.486 7.635 -5.863 1.00 0.00 H new ATOM 0 HA ASN A 76 7.097 10.334 -5.476 1.00 0.00 H new ATOM 0 HB2 ASN A 76 5.751 11.361 -7.298 1.00 0.00 H new ATOM 0 HB3 ASN A 76 7.197 10.573 -7.896 1.00 0.00 H new ATOM 0 HD21 ASN A 76 3.466 9.311 -9.040 1.00 0.00 H new ATOM 0 HD22 ASN A 76 3.708 10.591 -7.846 1.00 0.00 H new ATOM 1112 N LYS A 77 5.109 9.022 -4.158 1.00 0.00 N ATOM 1113 CA LYS A 77 3.899 8.863 -3.360 1.00 0.00 C ATOM 1114 C LYS A 77 4.241 8.533 -1.907 1.00 0.00 C ATOM 1115 O LYS A 77 4.183 7.374 -1.496 1.00 0.00 O ATOM 1116 CB LYS A 77 3.014 7.763 -3.948 1.00 0.00 C ATOM 1117 CG LYS A 77 2.177 8.223 -5.130 1.00 0.00 C ATOM 1118 CD LYS A 77 0.786 7.609 -5.103 1.00 0.00 C ATOM 1119 CE LYS A 77 0.261 7.360 -6.507 1.00 0.00 C ATOM 1120 NZ LYS A 77 0.063 8.630 -7.260 1.00 0.00 N ATOM 0 H LYS A 77 5.951 8.641 -3.727 1.00 0.00 H new ATOM 0 HA LYS A 77 3.356 9.808 -3.381 1.00 0.00 H new ATOM 0 HB2 LYS A 77 3.644 6.930 -4.261 1.00 0.00 H new ATOM 0 HB3 LYS A 77 2.351 7.386 -3.169 1.00 0.00 H new ATOM 0 HG2 LYS A 77 2.096 9.310 -5.118 1.00 0.00 H new ATOM 0 HG3 LYS A 77 2.678 7.951 -6.059 1.00 0.00 H new ATOM 0 HD2 LYS A 77 0.812 6.669 -4.551 1.00 0.00 H new ATOM 0 HD3 LYS A 77 0.104 8.272 -4.571 1.00 0.00 H new ATOM 0 HE2 LYS A 77 0.960 6.722 -7.048 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -0.684 6.820 -6.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -0.855 8.604 -7.748 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 0.081 9.432 -6.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 0.824 8.741 -7.960 1.00 0.00 H new ATOM 1134 N PRO A 78 4.599 9.553 -1.109 1.00 0.00 N ATOM 1135 CA PRO A 78 4.947 9.365 0.304 1.00 0.00 C ATOM 1136 C PRO A 78 3.794 8.777 1.110 1.00 0.00 C ATOM 1137 O PRO A 78 2.650 9.212 0.983 1.00 0.00 O ATOM 1138 CB PRO A 78 5.274 10.782 0.794 1.00 0.00 C ATOM 1139 CG PRO A 78 4.646 11.695 -0.203 1.00 0.00 C ATOM 1140 CD PRO A 78 4.690 10.965 -1.514 1.00 0.00 C ATOM 0 HA PRO A 78 5.771 8.662 0.425 1.00 0.00 H new ATOM 0 HB2 PRO A 78 4.874 10.955 1.793 1.00 0.00 H new ATOM 0 HB3 PRO A 78 6.351 10.941 0.850 1.00 0.00 H new ATOM 0 HG2 PRO A 78 3.620 11.933 0.077 1.00 0.00 H new ATOM 0 HG3 PRO A 78 5.187 12.639 -0.263 1.00 0.00 H new ATOM 0 HD2 PRO A 78 3.864 11.253 -2.164 1.00 0.00 H new ATOM 0 HD3 PRO A 78 5.611 11.170 -2.060 1.00 0.00 H new ATOM 1148 N GLY A 79 4.104 7.786 1.939 1.00 0.00 N ATOM 1149 CA GLY A 79 3.084 7.153 2.755 1.00 0.00 C ATOM 1150 C GLY A 79 3.672 6.284 3.849 1.00 0.00 C ATOM 1151 O GLY A 79 4.844 6.425 4.198 1.00 0.00 O ATOM 0 H GLY A 79 5.044 7.409 2.061 1.00 0.00 H new ATOM 0 HA2 GLY A 79 2.455 7.921 3.205 1.00 0.00 H new ATOM 0 HA3 GLY A 79 2.440 6.545 2.119 1.00 0.00 H new ATOM 1155 N PHE A 80 2.858 5.384 4.389 1.00 0.00 N ATOM 1156 CA PHE A 80 3.306 4.489 5.449 1.00 0.00 C ATOM 1157 C PHE A 80 2.775 3.076 5.229 1.00 0.00 C ATOM 1158 O PHE A 80 1.589 2.883 4.958 1.00 0.00 O ATOM 1159 CB PHE A 80 2.851 5.011 6.814 1.00 0.00 C ATOM 1160 CG PHE A 80 3.355 6.391 7.126 1.00 0.00 C ATOM 1161 CD1 PHE A 80 4.668 6.591 7.523 1.00 0.00 C ATOM 1162 CD2 PHE A 80 2.516 7.489 7.023 1.00 0.00 C ATOM 1163 CE1 PHE A 80 5.134 7.859 7.811 1.00 0.00 C ATOM 1164 CE2 PHE A 80 2.976 8.760 7.309 1.00 0.00 C ATOM 1165 CZ PHE A 80 4.287 8.945 7.704 1.00 0.00 C ATOM 0 H PHE A 80 1.885 5.255 4.110 1.00 0.00 H new ATOM 0 HA PHE A 80 4.395 4.456 5.426 1.00 0.00 H new ATOM 0 HB2 PHE A 80 1.762 5.014 6.848 1.00 0.00 H new ATOM 0 HB3 PHE A 80 3.192 4.324 7.589 1.00 0.00 H new ATOM 0 HD1 PHE A 80 5.334 5.745 7.608 1.00 0.00 H new ATOM 0 HD2 PHE A 80 1.490 7.350 6.715 1.00 0.00 H new ATOM 0 HE1 PHE A 80 6.159 8.001 8.119 1.00 0.00 H new ATOM 0 HE2 PHE A 80 2.312 9.607 7.224 1.00 0.00 H new ATOM 0 HZ PHE A 80 4.649 9.937 7.929 1.00 0.00 H new ATOM 1175 N ILE A 81 3.659 2.091 5.346 1.00 0.00 N ATOM 1176 CA ILE A 81 3.278 0.696 5.159 1.00 0.00 C ATOM 1177 C ILE A 81 2.524 0.166 6.373 1.00 0.00 C ATOM 1178 O ILE A 81 2.973 0.315 7.510 1.00 0.00 O ATOM 1179 CB ILE A 81 4.512 -0.193 4.904 1.00 0.00 C ATOM 1180 CG1 ILE A 81 5.378 0.402 3.792 1.00 0.00 C ATOM 1181 CG2 ILE A 81 4.080 -1.608 4.546 1.00 0.00 C ATOM 1182 CD1 ILE A 81 6.862 0.338 4.084 1.00 0.00 C ATOM 0 H ILE A 81 4.644 2.233 5.569 1.00 0.00 H new ATOM 0 HA ILE A 81 2.626 0.659 4.286 1.00 0.00 H new ATOM 0 HB ILE A 81 5.106 -0.234 5.817 1.00 0.00 H new ATOM 0 HG12 ILE A 81 5.176 -0.128 2.861 1.00 0.00 H new ATOM 0 HG13 ILE A 81 5.091 1.442 3.635 1.00 0.00 H new ATOM 0 HG21 ILE A 81 4.962 -2.224 4.369 1.00 0.00 H new ATOM 0 HG22 ILE A 81 3.501 -2.031 5.367 1.00 0.00 H new ATOM 0 HG23 ILE A 81 3.467 -1.584 3.645 1.00 0.00 H new ATOM 0 HD11 ILE A 81 7.415 0.777 3.254 1.00 0.00 H new ATOM 0 HD12 ILE A 81 7.077 0.892 4.997 1.00 0.00 H new ATOM 0 HD13 ILE A 81 7.163 -0.702 4.211 1.00 0.00 H new ATOM 1194 N GLN A 82 1.375 -0.454 6.125 1.00 0.00 N ATOM 1195 CA GLN A 82 0.556 -1.008 7.198 1.00 0.00 C ATOM 1196 C GLN A 82 0.403 -2.517 7.043 1.00 0.00 C ATOM 1197 O GLN A 82 0.462 -3.261 8.022 1.00 0.00 O ATOM 1198 CB GLN A 82 -0.821 -0.343 7.213 1.00 0.00 C ATOM 1199 CG GLN A 82 -0.764 1.175 7.265 1.00 0.00 C ATOM 1200 CD GLN A 82 -0.663 1.705 8.682 1.00 0.00 C ATOM 1201 OE1 GLN A 82 -1.621 2.260 9.219 1.00 0.00 O ATOM 1202 NE2 GLN A 82 0.504 1.538 9.293 1.00 0.00 N ATOM 0 H GLN A 82 0.989 -0.586 5.190 1.00 0.00 H new ATOM 0 HA GLN A 82 1.059 -0.808 8.144 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -1.372 -0.647 6.323 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -1.381 -0.707 8.074 1.00 0.00 H new ATOM 0 HG2 GLN A 82 0.093 1.523 6.689 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -1.655 1.585 6.790 1.00 0.00 H new ATOM 0 HE21 GLN A 82 1.271 1.072 8.809 1.00 0.00 H new ATOM 0 HE22 GLN A 82 0.633 1.876 10.247 1.00 0.00 H new ATOM 1211 N PHE A 83 0.207 -2.963 5.806 1.00 0.00 N ATOM 1212 CA PHE A 83 0.045 -4.384 5.522 1.00 0.00 C ATOM 1213 C PHE A 83 1.145 -4.883 4.590 1.00 0.00 C ATOM 1214 O PHE A 83 1.485 -4.224 3.608 1.00 0.00 O ATOM 1215 CB PHE A 83 -1.326 -4.648 4.898 1.00 0.00 C ATOM 1216 CG PHE A 83 -1.629 -6.107 4.703 1.00 0.00 C ATOM 1217 CD1 PHE A 83 -1.986 -6.902 5.780 1.00 0.00 C ATOM 1218 CD2 PHE A 83 -1.555 -6.681 3.444 1.00 0.00 C ATOM 1219 CE1 PHE A 83 -2.265 -8.244 5.604 1.00 0.00 C ATOM 1220 CE2 PHE A 83 -1.833 -8.022 3.263 1.00 0.00 C ATOM 1221 CZ PHE A 83 -2.188 -8.805 4.344 1.00 0.00 C ATOM 0 H PHE A 83 0.157 -2.360 4.985 1.00 0.00 H new ATOM 0 HA PHE A 83 0.119 -4.927 6.464 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -2.095 -4.208 5.532 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -1.380 -4.142 3.934 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -2.047 -6.468 6.767 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -1.277 -6.074 2.595 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -2.543 -8.854 6.451 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -1.773 -8.458 2.277 1.00 0.00 H new ATOM 0 HZ PHE A 83 -2.405 -9.854 4.204 1.00 0.00 H new ATOM 1231 N LEU A 84 1.697 -6.049 4.907 1.00 0.00 N ATOM 1232 CA LEU A 84 2.759 -6.636 4.099 1.00 0.00 C ATOM 1233 C LEU A 84 2.629 -8.155 4.052 1.00 0.00 C ATOM 1234 O LEU A 84 2.878 -8.841 5.043 1.00 0.00 O ATOM 1235 CB LEU A 84 4.130 -6.246 4.656 1.00 0.00 C ATOM 1236 CG LEU A 84 4.753 -4.998 4.029 1.00 0.00 C ATOM 1237 CD1 LEU A 84 5.929 -4.512 4.862 1.00 0.00 C ATOM 1238 CD2 LEU A 84 5.190 -5.284 2.600 1.00 0.00 C ATOM 0 H LEU A 84 1.427 -6.606 5.718 1.00 0.00 H new ATOM 0 HA LEU A 84 2.665 -6.249 3.084 1.00 0.00 H new ATOM 0 HB2 LEU A 84 4.037 -6.086 5.730 1.00 0.00 H new ATOM 0 HB3 LEU A 84 4.813 -7.084 4.517 1.00 0.00 H new ATOM 0 HG LEU A 84 4.001 -4.210 4.008 1.00 0.00 H new ATOM 0 HD11 LEU A 84 6.359 -3.623 4.400 1.00 0.00 H new ATOM 0 HD12 LEU A 84 5.587 -4.269 5.868 1.00 0.00 H new ATOM 0 HD13 LEU A 84 6.685 -5.295 4.916 1.00 0.00 H new ATOM 0 HD21 LEU A 84 5.631 -4.386 2.168 1.00 0.00 H new ATOM 0 HD22 LEU A 84 5.927 -6.087 2.599 1.00 0.00 H new ATOM 0 HD23 LEU A 84 4.325 -5.584 2.008 1.00 0.00 H new ATOM 1250 N GLY A 85 2.237 -8.675 2.893 1.00 0.00 N ATOM 1251 CA GLY A 85 2.080 -10.110 2.739 1.00 0.00 C ATOM 1252 C GLY A 85 1.062 -10.471 1.676 1.00 0.00 C ATOM 1253 O GLY A 85 0.687 -9.633 0.857 1.00 0.00 O ATOM 0 H GLY A 85 2.025 -8.129 2.058 1.00 0.00 H new ATOM 0 HA2 GLY A 85 3.042 -10.552 2.481 1.00 0.00 H new ATOM 0 HA3 GLY A 85 1.775 -10.543 3.692 1.00 0.00 H new ATOM 1257 N GLU A 86 0.617 -11.723 1.688 1.00 0.00 N ATOM 1258 CA GLU A 86 -0.363 -12.194 0.717 1.00 0.00 C ATOM 1259 C GLU A 86 -1.722 -11.543 0.955 1.00 0.00 C ATOM 1260 O GLU A 86 -1.963 -10.955 2.009 1.00 0.00 O ATOM 1261 CB GLU A 86 -0.493 -13.716 0.791 1.00 0.00 C ATOM 1262 CG GLU A 86 0.775 -14.454 0.395 1.00 0.00 C ATOM 1263 CD GLU A 86 0.556 -15.945 0.233 1.00 0.00 C ATOM 1264 OE1 GLU A 86 -0.346 -16.490 0.904 1.00 0.00 O ATOM 1265 OE2 GLU A 86 1.286 -16.570 -0.565 1.00 0.00 O ATOM 0 H GLU A 86 0.919 -12.429 2.359 1.00 0.00 H new ATOM 0 HA GLU A 86 -0.016 -11.914 -0.278 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -0.767 -14.000 1.807 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -1.307 -14.035 0.141 1.00 0.00 H new ATOM 0 HG2 GLU A 86 1.153 -14.042 -0.541 1.00 0.00 H new ATOM 0 HG3 GLU A 86 1.541 -14.283 1.151 1.00 0.00 H new ATOM 1272 N THR A 87 -2.606 -11.652 -0.030 1.00 0.00 N ATOM 1273 CA THR A 87 -3.940 -11.074 0.072 1.00 0.00 C ATOM 1274 C THR A 87 -5.008 -12.100 -0.292 1.00 0.00 C ATOM 1275 O THR A 87 -4.709 -13.279 -0.483 1.00 0.00 O ATOM 1276 CB THR A 87 -4.059 -9.850 -0.838 1.00 0.00 C ATOM 1277 OG1 THR A 87 -4.029 -10.235 -2.201 1.00 0.00 O ATOM 1278 CG2 THR A 87 -2.958 -8.835 -0.622 1.00 0.00 C ATOM 0 H THR A 87 -2.422 -12.136 -0.909 1.00 0.00 H new ATOM 0 HA THR A 87 -4.097 -10.766 1.106 1.00 0.00 H new ATOM 0 HB THR A 87 -5.012 -9.388 -0.579 1.00 0.00 H new ATOM 0 HG1 THR A 87 -4.534 -9.587 -2.735 1.00 0.00 H new ATOM 0 HG21 THR A 87 -3.102 -7.993 -1.299 1.00 0.00 H new ATOM 0 HG22 THR A 87 -2.986 -8.482 0.409 1.00 0.00 H new ATOM 0 HG23 THR A 87 -1.992 -9.299 -0.820 1.00 0.00 H new ATOM 1286 N GLN A 88 -6.253 -11.645 -0.387 1.00 0.00 N ATOM 1287 CA GLN A 88 -7.365 -12.526 -0.729 1.00 0.00 C ATOM 1288 C GLN A 88 -8.152 -11.990 -1.923 1.00 0.00 C ATOM 1289 O GLN A 88 -9.282 -12.411 -2.169 1.00 0.00 O ATOM 1290 CB GLN A 88 -8.296 -12.692 0.473 1.00 0.00 C ATOM 1291 CG GLN A 88 -7.839 -13.760 1.454 1.00 0.00 C ATOM 1292 CD GLN A 88 -8.614 -13.724 2.757 1.00 0.00 C ATOM 1293 OE1 GLN A 88 -9.588 -14.456 2.933 1.00 0.00 O ATOM 1294 NE2 GLN A 88 -8.184 -12.869 3.678 1.00 0.00 N ATOM 0 H GLN A 88 -6.518 -10.672 -0.232 1.00 0.00 H new ATOM 0 HA GLN A 88 -6.950 -13.496 -1.002 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -8.373 -11.739 0.996 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -9.295 -12.942 0.116 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -7.952 -14.742 0.995 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -6.778 -13.626 1.663 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -7.372 -12.281 3.489 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -8.666 -12.800 4.574 1.00 0.00 H new ATOM 1303 N PHE A 89 -7.551 -11.062 -2.663 1.00 0.00 N ATOM 1304 CA PHE A 89 -8.204 -10.476 -3.828 1.00 0.00 C ATOM 1305 C PHE A 89 -7.411 -10.763 -5.099 1.00 0.00 C ATOM 1306 O PHE A 89 -7.986 -10.958 -6.170 1.00 0.00 O ATOM 1307 CB PHE A 89 -8.365 -8.966 -3.643 1.00 0.00 C ATOM 1308 CG PHE A 89 -7.062 -8.235 -3.497 1.00 0.00 C ATOM 1309 CD1 PHE A 89 -6.397 -7.746 -4.611 1.00 0.00 C ATOM 1310 CD2 PHE A 89 -6.500 -8.036 -2.246 1.00 0.00 C ATOM 1311 CE1 PHE A 89 -5.198 -7.073 -4.480 1.00 0.00 C ATOM 1312 CE2 PHE A 89 -5.301 -7.363 -2.109 1.00 0.00 C ATOM 1313 CZ PHE A 89 -4.649 -6.881 -3.227 1.00 0.00 C ATOM 0 H PHE A 89 -6.615 -10.701 -2.477 1.00 0.00 H new ATOM 0 HA PHE A 89 -9.190 -10.930 -3.927 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -8.906 -8.560 -4.498 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -8.977 -8.780 -2.760 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -6.822 -7.893 -5.593 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -7.005 -8.411 -1.368 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -4.690 -6.697 -5.356 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -4.874 -7.214 -1.128 1.00 0.00 H new ATOM 0 HZ PHE A 89 -3.712 -6.355 -3.122 1.00 0.00 H new ATOM 1323 N ALA A 90 -6.089 -10.789 -4.975 1.00 0.00 N ATOM 1324 CA ALA A 90 -5.218 -11.054 -6.114 1.00 0.00 C ATOM 1325 C ALA A 90 -3.983 -11.844 -5.689 1.00 0.00 C ATOM 1326 O ALA A 90 -3.506 -11.705 -4.562 1.00 0.00 O ATOM 1327 CB ALA A 90 -4.809 -9.748 -6.779 1.00 0.00 C ATOM 0 H ALA A 90 -5.596 -10.630 -4.096 1.00 0.00 H new ATOM 0 HA ALA A 90 -5.773 -11.657 -6.833 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -4.159 -9.960 -7.628 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -5.699 -9.222 -7.126 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -4.276 -9.125 -6.061 1.00 0.00 H new ATOM 1333 N PRO A 91 -3.447 -12.686 -6.590 1.00 0.00 N ATOM 1334 CA PRO A 91 -2.261 -13.498 -6.301 1.00 0.00 C ATOM 1335 C PRO A 91 -0.990 -12.660 -6.218 1.00 0.00 C ATOM 1336 O PRO A 91 -1.012 -11.456 -6.472 1.00 0.00 O ATOM 1337 CB PRO A 91 -2.192 -14.460 -7.489 1.00 0.00 C ATOM 1338 CG PRO A 91 -2.871 -13.736 -8.599 1.00 0.00 C ATOM 1339 CD PRO A 91 -3.953 -12.911 -7.956 1.00 0.00 C ATOM 0 HA PRO A 91 -2.334 -13.997 -5.335 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -1.160 -14.700 -7.745 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -2.692 -15.402 -7.266 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -2.167 -13.103 -9.140 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -3.291 -14.436 -9.322 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -4.110 -11.971 -8.486 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -4.908 -13.436 -7.949 1.00 0.00 H new ATOM 1347 N GLY A 92 0.116 -13.304 -5.863 1.00 0.00 N ATOM 1348 CA GLY A 92 1.381 -12.602 -5.754 1.00 0.00 C ATOM 1349 C GLY A 92 1.530 -11.875 -4.432 1.00 0.00 C ATOM 1350 O GLY A 92 0.735 -12.076 -3.514 1.00 0.00 O ATOM 0 H GLY A 92 0.159 -14.300 -5.649 1.00 0.00 H new ATOM 0 HA2 GLY A 92 2.199 -13.314 -5.868 1.00 0.00 H new ATOM 0 HA3 GLY A 92 1.467 -11.885 -6.571 1.00 0.00 H new ATOM 1354 N GLN A 93 2.550 -11.030 -4.334 1.00 0.00 N ATOM 1355 CA GLN A 93 2.801 -10.273 -3.113 1.00 0.00 C ATOM 1356 C GLN A 93 2.253 -8.854 -3.231 1.00 0.00 C ATOM 1357 O GLN A 93 2.291 -8.250 -4.303 1.00 0.00 O ATOM 1358 CB GLN A 93 4.301 -10.229 -2.815 1.00 0.00 C ATOM 1359 CG GLN A 93 4.769 -11.342 -1.891 1.00 0.00 C ATOM 1360 CD GLN A 93 5.533 -10.822 -0.688 1.00 0.00 C ATOM 1361 OE1 GLN A 93 6.691 -10.423 -0.799 1.00 0.00 O ATOM 1362 NE2 GLN A 93 4.884 -10.825 0.470 1.00 0.00 N ATOM 0 H GLN A 93 3.217 -10.852 -5.085 1.00 0.00 H new ATOM 0 HA GLN A 93 2.289 -10.775 -2.292 1.00 0.00 H new ATOM 0 HB2 GLN A 93 4.852 -10.291 -3.754 1.00 0.00 H new ATOM 0 HB3 GLN A 93 4.546 -9.267 -2.365 1.00 0.00 H new ATOM 0 HG2 GLN A 93 3.905 -11.912 -1.549 1.00 0.00 H new ATOM 0 HG3 GLN A 93 5.404 -12.030 -2.450 1.00 0.00 H new ATOM 0 HE21 GLN A 93 3.924 -11.165 0.515 1.00 0.00 H new ATOM 0 HE22 GLN A 93 5.346 -10.487 1.314 1.00 0.00 H new ATOM 1371 N TRP A 94 1.745 -8.328 -2.122 1.00 0.00 N ATOM 1372 CA TRP A 94 1.189 -6.979 -2.099 1.00 0.00 C ATOM 1373 C TRP A 94 1.696 -6.204 -0.888 1.00 0.00 C ATOM 1374 O TRP A 94 2.286 -6.779 0.027 1.00 0.00 O ATOM 1375 CB TRP A 94 -0.340 -7.035 -2.081 1.00 0.00 C ATOM 1376 CG TRP A 94 -0.934 -7.504 -3.373 1.00 0.00 C ATOM 1377 CD1 TRP A 94 -1.316 -8.777 -3.686 1.00 0.00 C ATOM 1378 CD2 TRP A 94 -1.213 -6.706 -4.529 1.00 0.00 C ATOM 1379 NE1 TRP A 94 -1.817 -8.819 -4.964 1.00 0.00 N ATOM 1380 CE2 TRP A 94 -1.765 -7.560 -5.502 1.00 0.00 C ATOM 1381 CE3 TRP A 94 -1.052 -5.351 -4.836 1.00 0.00 C ATOM 1382 CZ2 TRP A 94 -2.154 -7.104 -6.760 1.00 0.00 C ATOM 1383 CZ3 TRP A 94 -1.439 -4.899 -6.083 1.00 0.00 C ATOM 1384 CH2 TRP A 94 -1.985 -5.774 -7.031 1.00 0.00 C ATOM 0 H TRP A 94 1.706 -8.815 -1.227 1.00 0.00 H new ATOM 0 HA TRP A 94 1.515 -6.462 -3.001 1.00 0.00 H new ATOM 0 HB2 TRP A 94 -0.662 -7.700 -1.279 1.00 0.00 H new ATOM 0 HB3 TRP A 94 -0.730 -6.044 -1.849 1.00 0.00 H new ATOM 0 HD1 TRP A 94 -1.236 -9.627 -3.025 1.00 0.00 H new ATOM 0 HE1 TRP A 94 -2.170 -9.652 -5.436 1.00 0.00 H new ATOM 0 HE3 TRP A 94 -0.632 -4.670 -4.111 1.00 0.00 H new ATOM 0 HZ2 TRP A 94 -2.574 -7.776 -7.494 1.00 0.00 H new ATOM 0 HZ3 TRP A 94 -1.319 -3.855 -6.331 1.00 0.00 H new ATOM 0 HH2 TRP A 94 -2.279 -5.390 -7.997 1.00 0.00 H new ATOM 1395 N ALA A 95 1.461 -4.896 -0.887 1.00 0.00 N ATOM 1396 CA ALA A 95 1.893 -4.043 0.212 1.00 0.00 C ATOM 1397 C ALA A 95 1.014 -2.802 0.323 1.00 0.00 C ATOM 1398 O ALA A 95 1.009 -1.950 -0.566 1.00 0.00 O ATOM 1399 CB ALA A 95 3.350 -3.644 0.029 1.00 0.00 C ATOM 0 H ALA A 95 0.973 -4.404 -1.636 1.00 0.00 H new ATOM 0 HA ALA A 95 1.795 -4.609 1.138 1.00 0.00 H new ATOM 0 HB1 ALA A 95 3.660 -3.007 0.857 1.00 0.00 H new ATOM 0 HB2 ALA A 95 3.972 -4.539 0.007 1.00 0.00 H new ATOM 0 HB3 ALA A 95 3.463 -3.100 -0.909 1.00 0.00 H new ATOM 1405 N GLY A 96 0.269 -2.707 1.420 1.00 0.00 N ATOM 1406 CA GLY A 96 -0.606 -1.568 1.626 1.00 0.00 C ATOM 1407 C GLY A 96 0.130 -0.365 2.183 1.00 0.00 C ATOM 1408 O GLY A 96 0.909 -0.489 3.129 1.00 0.00 O ATOM 0 H GLY A 96 0.256 -3.399 2.170 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -1.074 -1.297 0.680 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -1.407 -1.848 2.309 1.00 0.00 H new ATOM 1412 N ILE A 97 -0.116 0.801 1.596 1.00 0.00 N ATOM 1413 CA ILE A 97 0.528 2.032 2.039 1.00 0.00 C ATOM 1414 C ILE A 97 -0.483 3.166 2.166 1.00 0.00 C ATOM 1415 O ILE A 97 -1.307 3.378 1.276 1.00 0.00 O ATOM 1416 CB ILE A 97 1.646 2.461 1.070 1.00 0.00 C ATOM 1417 CG1 ILE A 97 2.583 1.287 0.782 1.00 0.00 C ATOM 1418 CG2 ILE A 97 2.423 3.636 1.645 1.00 0.00 C ATOM 1419 CD1 ILE A 97 3.388 1.453 -0.488 1.00 0.00 C ATOM 0 H ILE A 97 -0.757 0.920 0.812 1.00 0.00 H new ATOM 0 HA ILE A 97 0.964 1.827 3.017 1.00 0.00 H new ATOM 0 HB ILE A 97 1.190 2.775 0.131 1.00 0.00 H new ATOM 0 HG12 ILE A 97 3.266 1.164 1.622 1.00 0.00 H new ATOM 0 HG13 ILE A 97 1.995 0.372 0.713 1.00 0.00 H new ATOM 0 HG21 ILE A 97 3.209 3.928 0.949 1.00 0.00 H new ATOM 0 HG22 ILE A 97 1.747 4.477 1.802 1.00 0.00 H new ATOM 0 HG23 ILE A 97 2.869 3.346 2.596 1.00 0.00 H new ATOM 0 HD11 ILE A 97 4.030 0.583 -0.628 1.00 0.00 H new ATOM 0 HD12 ILE A 97 2.712 1.546 -1.338 1.00 0.00 H new ATOM 0 HD13 ILE A 97 4.003 2.350 -0.414 1.00 0.00 H new ATOM 1431 N VAL A 98 -0.413 3.892 3.277 1.00 0.00 N ATOM 1432 CA VAL A 98 -1.323 5.004 3.520 1.00 0.00 C ATOM 1433 C VAL A 98 -0.720 6.321 3.039 1.00 0.00 C ATOM 1434 O VAL A 98 0.320 6.755 3.532 1.00 0.00 O ATOM 1435 CB VAL A 98 -1.671 5.129 5.016 1.00 0.00 C ATOM 1436 CG1 VAL A 98 -2.766 6.162 5.227 1.00 0.00 C ATOM 1437 CG2 VAL A 98 -2.085 3.778 5.581 1.00 0.00 C ATOM 0 H VAL A 98 0.264 3.730 4.022 1.00 0.00 H new ATOM 0 HA VAL A 98 -2.234 4.796 2.959 1.00 0.00 H new ATOM 0 HB VAL A 98 -0.782 5.464 5.550 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -2.997 6.235 6.290 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -2.427 7.131 4.862 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -3.660 5.861 4.681 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -2.327 3.885 6.638 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -2.960 3.411 5.044 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -1.265 3.069 5.466 1.00 0.00 H new ATOM 1447 N LEU A 99 -1.382 6.950 2.073 1.00 0.00 N ATOM 1448 CA LEU A 99 -0.911 8.217 1.525 1.00 0.00 C ATOM 1449 C LEU A 99 -1.282 9.379 2.441 1.00 0.00 C ATOM 1450 O LEU A 99 -1.935 9.190 3.467 1.00 0.00 O ATOM 1451 CB LEU A 99 -1.499 8.444 0.131 1.00 0.00 C ATOM 1452 CG LEU A 99 -1.269 7.305 -0.862 1.00 0.00 C ATOM 1453 CD1 LEU A 99 -2.084 7.526 -2.126 1.00 0.00 C ATOM 1454 CD2 LEU A 99 0.210 7.181 -1.195 1.00 0.00 C ATOM 0 H LEU A 99 -2.245 6.604 1.654 1.00 0.00 H new ATOM 0 HA LEU A 99 0.175 8.170 1.451 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -2.572 8.609 0.229 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -1.072 9.358 -0.282 1.00 0.00 H new ATOM 0 HG LEU A 99 -1.598 6.374 -0.401 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -1.907 6.705 -2.821 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -3.144 7.566 -1.873 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -1.786 8.466 -2.591 1.00 0.00 H new ATOM 0 HD21 LEU A 99 0.356 6.365 -1.903 1.00 0.00 H new ATOM 0 HD22 LEU A 99 0.563 8.113 -1.637 1.00 0.00 H new ATOM 0 HD23 LEU A 99 0.772 6.976 -0.284 1.00 0.00 H new ATOM 1466 N ASP A 100 -0.860 10.581 2.062 1.00 0.00 N ATOM 1467 CA ASP A 100 -1.147 11.775 2.848 1.00 0.00 C ATOM 1468 C ASP A 100 -2.261 12.595 2.207 1.00 0.00 C ATOM 1469 O ASP A 100 -3.030 13.264 2.897 1.00 0.00 O ATOM 1470 CB ASP A 100 0.113 12.630 2.991 1.00 0.00 C ATOM 1471 CG ASP A 100 1.274 11.856 3.583 1.00 0.00 C ATOM 1472 OD1 ASP A 100 1.944 11.120 2.828 1.00 0.00 O ATOM 1473 OD2 ASP A 100 1.515 11.985 4.802 1.00 0.00 O ATOM 0 H ASP A 100 -0.318 10.754 1.215 1.00 0.00 H new ATOM 0 HA ASP A 100 -1.478 11.458 3.837 1.00 0.00 H new ATOM 0 HB2 ASP A 100 0.399 13.017 2.013 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -0.106 13.491 3.623 1.00 0.00 H new ATOM 1478 N GLU A 101 -2.344 12.538 0.881 1.00 0.00 N ATOM 1479 CA GLU A 101 -3.365 13.277 0.147 1.00 0.00 C ATOM 1480 C GLU A 101 -4.416 12.329 -0.428 1.00 0.00 C ATOM 1481 O GLU A 101 -4.153 11.143 -0.624 1.00 0.00 O ATOM 1482 CB GLU A 101 -2.725 14.092 -0.978 1.00 0.00 C ATOM 1483 CG GLU A 101 -2.385 15.519 -0.576 1.00 0.00 C ATOM 1484 CD GLU A 101 -1.343 16.146 -1.482 1.00 0.00 C ATOM 1485 OE1 GLU A 101 -0.484 15.405 -2.002 1.00 0.00 O ATOM 1486 OE2 GLU A 101 -1.388 17.380 -1.672 1.00 0.00 O ATOM 0 H GLU A 101 -1.717 11.988 0.294 1.00 0.00 H new ATOM 0 HA GLU A 101 -3.857 13.956 0.843 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -1.816 13.590 -1.308 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -3.404 14.115 -1.831 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -3.291 16.124 -0.597 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -2.020 15.526 0.451 1.00 0.00 H new ATOM 1493 N PRO A 102 -5.626 12.844 -0.706 1.00 0.00 N ATOM 1494 CA PRO A 102 -6.718 12.040 -1.260 1.00 0.00 C ATOM 1495 C PRO A 102 -6.485 11.675 -2.724 1.00 0.00 C ATOM 1496 O PRO A 102 -7.259 12.057 -3.601 1.00 0.00 O ATOM 1497 CB PRO A 102 -7.936 12.955 -1.123 1.00 0.00 C ATOM 1498 CG PRO A 102 -7.376 14.334 -1.157 1.00 0.00 C ATOM 1499 CD PRO A 102 -6.024 14.251 -0.502 1.00 0.00 C ATOM 0 HA PRO A 102 -6.825 11.086 -0.744 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -8.645 12.795 -1.935 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -8.470 12.767 -0.192 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -7.291 14.695 -2.182 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -8.024 15.031 -0.626 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -5.314 14.939 -0.960 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -6.075 14.504 0.557 1.00 0.00 H new ATOM 1507 N ILE A 103 -5.412 10.933 -2.978 1.00 0.00 N ATOM 1508 CA ILE A 103 -5.075 10.515 -4.334 1.00 0.00 C ATOM 1509 C ILE A 103 -4.906 9.002 -4.417 1.00 0.00 C ATOM 1510 O ILE A 103 -4.125 8.498 -5.225 1.00 0.00 O ATOM 1511 CB ILE A 103 -3.781 11.193 -4.826 1.00 0.00 C ATOM 1512 CG1 ILE A 103 -2.679 11.058 -3.774 1.00 0.00 C ATOM 1513 CG2 ILE A 103 -4.039 12.657 -5.147 1.00 0.00 C ATOM 1514 CD1 ILE A 103 -1.294 10.913 -4.367 1.00 0.00 C ATOM 0 H ILE A 103 -4.761 10.609 -2.263 1.00 0.00 H new ATOM 0 HA ILE A 103 -5.903 10.821 -4.974 1.00 0.00 H new ATOM 0 HB ILE A 103 -3.450 10.695 -5.738 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -2.698 11.933 -3.125 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -2.890 10.192 -3.147 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -3.116 13.122 -5.493 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -4.797 12.730 -5.927 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -4.390 13.170 -4.251 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -0.562 10.822 -3.564 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -1.258 10.022 -4.994 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -1.063 11.791 -4.971 1.00 0.00 H new ATOM 1526 N GLY A 104 -5.642 8.283 -3.577 1.00 0.00 N ATOM 1527 CA GLY A 104 -5.558 6.834 -3.571 1.00 0.00 C ATOM 1528 C GLY A 104 -6.700 6.184 -4.326 1.00 0.00 C ATOM 1529 O GLY A 104 -7.347 6.821 -5.158 1.00 0.00 O ATOM 0 H GLY A 104 -6.295 8.677 -2.900 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -4.611 6.526 -4.015 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -5.558 6.477 -2.541 1.00 0.00 H new ATOM 1533 N LYS A 105 -6.948 4.910 -4.037 1.00 0.00 N ATOM 1534 CA LYS A 105 -8.020 4.172 -4.695 1.00 0.00 C ATOM 1535 C LYS A 105 -8.741 3.264 -3.703 1.00 0.00 C ATOM 1536 O LYS A 105 -9.971 3.239 -3.650 1.00 0.00 O ATOM 1537 CB LYS A 105 -7.460 3.341 -5.850 1.00 0.00 C ATOM 1538 CG LYS A 105 -6.962 4.181 -7.016 1.00 0.00 C ATOM 1539 CD LYS A 105 -5.546 4.681 -6.778 1.00 0.00 C ATOM 1540 CE LYS A 105 -5.375 6.116 -7.246 1.00 0.00 C ATOM 1541 NZ LYS A 105 -4.736 6.192 -8.589 1.00 0.00 N ATOM 0 H LYS A 105 -6.421 4.368 -3.352 1.00 0.00 H new ATOM 0 HA LYS A 105 -8.736 4.893 -5.089 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -6.640 2.725 -5.480 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -8.234 2.661 -6.207 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -6.991 3.589 -7.931 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -7.629 5.030 -7.165 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -5.309 4.613 -5.716 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -4.839 4.039 -7.304 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -6.349 6.605 -7.280 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -4.768 6.663 -6.524 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -4.638 7.188 -8.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -3.796 5.748 -8.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -5.327 5.692 -9.284 1.00 0.00 H new ATOM 1555 N ASN A 106 -7.968 2.520 -2.920 1.00 0.00 N ATOM 1556 CA ASN A 106 -8.533 1.611 -1.930 1.00 0.00 C ATOM 1557 C ASN A 106 -8.647 2.290 -0.568 1.00 0.00 C ATOM 1558 O ASN A 106 -8.090 3.367 -0.353 1.00 0.00 O ATOM 1559 CB ASN A 106 -7.672 0.352 -1.813 1.00 0.00 C ATOM 1560 CG ASN A 106 -7.792 -0.545 -3.030 1.00 0.00 C ATOM 1561 OD1 ASN A 106 -8.880 -0.728 -3.576 1.00 0.00 O ATOM 1562 ND2 ASN A 106 -6.671 -1.110 -3.462 1.00 0.00 N ATOM 0 H ASN A 106 -6.949 2.528 -2.952 1.00 0.00 H new ATOM 0 HA ASN A 106 -9.533 1.331 -2.261 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -6.629 0.639 -1.678 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -7.967 -0.205 -0.924 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -6.690 -1.723 -4.277 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -5.791 -0.931 -2.979 1.00 0.00 H new ATOM 1569 N ASP A 107 -9.370 1.653 0.347 1.00 0.00 N ATOM 1570 CA ASP A 107 -9.556 2.197 1.688 1.00 0.00 C ATOM 1571 C ASP A 107 -9.142 1.180 2.748 1.00 0.00 C ATOM 1572 O ASP A 107 -9.852 0.968 3.732 1.00 0.00 O ATOM 1573 CB ASP A 107 -11.015 2.606 1.896 1.00 0.00 C ATOM 1574 CG ASP A 107 -11.551 3.444 0.750 1.00 0.00 C ATOM 1575 OD1 ASP A 107 -11.170 4.630 0.655 1.00 0.00 O ATOM 1576 OD2 ASP A 107 -12.348 2.914 -0.051 1.00 0.00 O ATOM 0 H ASP A 107 -9.836 0.760 0.185 1.00 0.00 H new ATOM 0 HA ASP A 107 -8.922 3.078 1.789 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -11.628 1.711 2.006 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -11.103 3.168 2.826 1.00 0.00 H new ATOM 1581 N GLY A 108 -7.988 0.555 2.541 1.00 0.00 N ATOM 1582 CA GLY A 108 -7.499 -0.431 3.487 1.00 0.00 C ATOM 1583 C GLY A 108 -8.398 -1.649 3.575 1.00 0.00 C ATOM 1584 O GLY A 108 -8.435 -2.328 4.600 1.00 0.00 O ATOM 0 H GLY A 108 -7.383 0.713 1.735 1.00 0.00 H new ATOM 0 HA2 GLY A 108 -6.497 -0.744 3.195 1.00 0.00 H new ATOM 0 HA3 GLY A 108 -7.415 0.027 4.473 1.00 0.00 H new ATOM 1588 N SER A 109 -9.125 -1.925 2.496 1.00 0.00 N ATOM 1589 CA SER A 109 -10.028 -3.068 2.456 1.00 0.00 C ATOM 1590 C SER A 109 -10.353 -3.453 1.016 1.00 0.00 C ATOM 1591 O SER A 109 -10.409 -2.597 0.133 1.00 0.00 O ATOM 1592 CB SER A 109 -11.319 -2.753 3.215 1.00 0.00 C ATOM 1593 OG SER A 109 -11.038 -2.240 4.506 1.00 0.00 O ATOM 0 H SER A 109 -9.106 -1.372 1.639 1.00 0.00 H new ATOM 0 HA SER A 109 -9.529 -3.910 2.936 1.00 0.00 H new ATOM 0 HB2 SER A 109 -11.908 -2.029 2.652 1.00 0.00 H new ATOM 0 HB3 SER A 109 -11.923 -3.656 3.302 1.00 0.00 H new ATOM 0 HG SER A 109 -10.151 -2.542 4.792 1.00 0.00 H new ATOM 1599 N VAL A 110 -10.566 -4.744 0.787 1.00 0.00 N ATOM 1600 CA VAL A 110 -10.885 -5.240 -0.546 1.00 0.00 C ATOM 1601 C VAL A 110 -12.133 -6.117 -0.522 1.00 0.00 C ATOM 1602 O VAL A 110 -12.100 -7.249 -0.038 1.00 0.00 O ATOM 1603 CB VAL A 110 -9.716 -6.047 -1.140 1.00 0.00 C ATOM 1604 CG1 VAL A 110 -9.986 -6.384 -2.598 1.00 0.00 C ATOM 1605 CG2 VAL A 110 -8.410 -5.279 -0.995 1.00 0.00 C ATOM 0 H VAL A 110 -10.524 -5.465 1.507 1.00 0.00 H new ATOM 0 HA VAL A 110 -11.069 -4.367 -1.172 1.00 0.00 H new ATOM 0 HB VAL A 110 -9.625 -6.982 -0.587 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -9.149 -6.954 -3.001 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -10.898 -6.977 -2.672 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -10.105 -5.463 -3.168 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -7.595 -5.864 -1.420 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -8.487 -4.328 -1.522 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -8.212 -5.094 0.061 1.00 0.00 H new ATOM 1615 N ALA A 111 -13.232 -5.588 -1.048 1.00 0.00 N ATOM 1616 CA ALA A 111 -14.490 -6.322 -1.088 1.00 0.00 C ATOM 1617 C ALA A 111 -14.952 -6.696 0.317 1.00 0.00 C ATOM 1618 O ALA A 111 -15.602 -7.722 0.515 1.00 0.00 O ATOM 1619 CB ALA A 111 -14.346 -7.569 -1.947 1.00 0.00 C ATOM 0 H ALA A 111 -13.277 -4.653 -1.453 1.00 0.00 H new ATOM 0 HA ALA A 111 -15.246 -5.674 -1.531 1.00 0.00 H new ATOM 0 HB1 ALA A 111 -15.293 -8.108 -1.968 1.00 0.00 H new ATOM 0 HB2 ALA A 111 -14.069 -7.282 -2.961 1.00 0.00 H new ATOM 0 HB3 ALA A 111 -13.572 -8.212 -1.528 1.00 0.00 H new ATOM 1625 N GLY A 112 -14.611 -5.856 1.289 1.00 0.00 N ATOM 1626 CA GLY A 112 -14.999 -6.115 2.663 1.00 0.00 C ATOM 1627 C GLY A 112 -13.847 -6.630 3.504 1.00 0.00 C ATOM 1628 O GLY A 112 -13.827 -6.444 4.721 1.00 0.00 O ATOM 0 H GLY A 112 -14.073 -5.001 1.150 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -15.387 -5.198 3.107 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -15.809 -6.844 2.677 1.00 0.00 H new ATOM 1632 N VAL A 113 -12.885 -7.277 2.856 1.00 0.00 N ATOM 1633 CA VAL A 113 -11.724 -7.819 3.552 1.00 0.00 C ATOM 1634 C VAL A 113 -10.814 -6.703 4.054 1.00 0.00 C ATOM 1635 O VAL A 113 -10.145 -6.033 3.267 1.00 0.00 O ATOM 1636 CB VAL A 113 -10.911 -8.760 2.642 1.00 0.00 C ATOM 1637 CG1 VAL A 113 -9.804 -9.443 3.431 1.00 0.00 C ATOM 1638 CG2 VAL A 113 -11.819 -9.789 1.985 1.00 0.00 C ATOM 0 H VAL A 113 -12.886 -7.439 1.849 1.00 0.00 H new ATOM 0 HA VAL A 113 -12.102 -8.386 4.403 1.00 0.00 H new ATOM 0 HB VAL A 113 -10.450 -8.162 1.855 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -9.241 -10.103 2.771 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -9.135 -8.689 3.847 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -10.241 -10.026 4.241 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -11.225 -10.443 1.347 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -12.313 -10.383 2.754 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -12.571 -9.279 1.382 1.00 0.00 H new ATOM 1648 N ARG A 114 -10.794 -6.507 5.368 1.00 0.00 N ATOM 1649 CA ARG A 114 -9.966 -5.471 5.975 1.00 0.00 C ATOM 1650 C ARG A 114 -8.532 -5.961 6.158 1.00 0.00 C ATOM 1651 O ARG A 114 -8.298 -7.045 6.691 1.00 0.00 O ATOM 1652 CB ARG A 114 -10.551 -5.047 7.325 1.00 0.00 C ATOM 1653 CG ARG A 114 -10.757 -3.545 7.452 1.00 0.00 C ATOM 1654 CD ARG A 114 -12.214 -3.199 7.717 1.00 0.00 C ATOM 1655 NE ARG A 114 -12.464 -2.922 9.130 1.00 0.00 N ATOM 1656 CZ ARG A 114 -13.565 -2.329 9.586 1.00 0.00 C ATOM 1657 NH1 ARG A 114 -14.519 -1.950 8.745 1.00 0.00 N ATOM 1658 NH2 ARG A 114 -13.712 -2.115 10.886 1.00 0.00 N ATOM 0 H ARG A 114 -11.342 -7.052 6.033 1.00 0.00 H new ATOM 0 HA ARG A 114 -9.954 -4.610 5.307 1.00 0.00 H new ATOM 0 HB2 ARG A 114 -11.506 -5.551 7.472 1.00 0.00 H new ATOM 0 HB3 ARG A 114 -9.887 -5.383 8.121 1.00 0.00 H new ATOM 0 HG2 ARG A 114 -10.138 -3.160 8.262 1.00 0.00 H new ATOM 0 HG3 ARG A 114 -10.427 -3.053 6.537 1.00 0.00 H new ATOM 0 HD2 ARG A 114 -12.494 -2.329 7.122 1.00 0.00 H new ATOM 0 HD3 ARG A 114 -12.847 -4.025 7.392 1.00 0.00 H new ATOM 0 HE ARG A 114 -11.753 -3.199 9.807 1.00 0.00 H new ATOM 0 HH11 ARG A 114 -14.411 -2.113 7.744 1.00 0.00 H new ATOM 0 HH12 ARG A 114 -15.361 -1.496 9.100 1.00 0.00 H new ATOM 0 HH21 ARG A 114 -12.982 -2.405 11.536 1.00 0.00 H new ATOM 0 HH22 ARG A 114 -14.556 -1.661 11.236 1.00 0.00 H new ATOM 1672 N TYR A 115 -7.575 -5.152 5.712 1.00 0.00 N ATOM 1673 CA TYR A 115 -6.164 -5.501 5.828 1.00 0.00 C ATOM 1674 C TYR A 115 -5.446 -4.557 6.788 1.00 0.00 C ATOM 1675 O TYR A 115 -4.642 -4.989 7.613 1.00 0.00 O ATOM 1676 CB TYR A 115 -5.492 -5.458 4.455 1.00 0.00 C ATOM 1677 CG TYR A 115 -6.127 -6.381 3.439 1.00 0.00 C ATOM 1678 CD1 TYR A 115 -7.326 -6.047 2.823 1.00 0.00 C ATOM 1679 CD2 TYR A 115 -5.527 -7.586 3.097 1.00 0.00 C ATOM 1680 CE1 TYR A 115 -7.910 -6.887 1.895 1.00 0.00 C ATOM 1681 CE2 TYR A 115 -6.105 -8.432 2.170 1.00 0.00 C ATOM 1682 CZ TYR A 115 -7.295 -8.078 1.572 1.00 0.00 C ATOM 1683 OH TYR A 115 -7.875 -8.918 0.648 1.00 0.00 O ATOM 0 H TYR A 115 -7.752 -4.251 5.267 1.00 0.00 H new ATOM 0 HA TYR A 115 -6.098 -6.514 6.226 1.00 0.00 H new ATOM 0 HB2 TYR A 115 -5.525 -4.437 4.076 1.00 0.00 H new ATOM 0 HB3 TYR A 115 -4.441 -5.723 4.566 1.00 0.00 H new ATOM 0 HD1 TYR A 115 -7.810 -5.115 3.074 1.00 0.00 H new ATOM 0 HD2 TYR A 115 -4.594 -7.866 3.563 1.00 0.00 H new ATOM 0 HE1 TYR A 115 -8.843 -6.612 1.425 1.00 0.00 H new ATOM 0 HE2 TYR A 115 -5.627 -9.366 1.915 1.00 0.00 H new ATOM 0 HH TYR A 115 -8.811 -8.661 0.515 1.00 0.00 H new ATOM 1693 N PHE A 116 -5.743 -3.267 6.672 1.00 0.00 N ATOM 1694 CA PHE A 116 -5.125 -2.261 7.529 1.00 0.00 C ATOM 1695 C PHE A 116 -5.969 -0.991 7.572 1.00 0.00 C ATOM 1696 O PHE A 116 -6.314 -0.428 6.533 1.00 0.00 O ATOM 1697 CB PHE A 116 -3.716 -1.935 7.034 1.00 0.00 C ATOM 1698 CG PHE A 116 -3.686 -1.369 5.647 1.00 0.00 C ATOM 1699 CD1 PHE A 116 -3.729 -2.207 4.547 1.00 0.00 C ATOM 1700 CD2 PHE A 116 -3.611 -0.001 5.445 1.00 0.00 C ATOM 1701 CE1 PHE A 116 -3.698 -1.693 3.267 1.00 0.00 C ATOM 1702 CE2 PHE A 116 -3.579 0.520 4.167 1.00 0.00 C ATOM 1703 CZ PHE A 116 -3.622 -0.329 3.077 1.00 0.00 C ATOM 0 H PHE A 116 -6.407 -2.894 5.994 1.00 0.00 H new ATOM 0 HA PHE A 116 -5.062 -2.668 8.538 1.00 0.00 H new ATOM 0 HB2 PHE A 116 -3.255 -1.223 7.718 1.00 0.00 H new ATOM 0 HB3 PHE A 116 -3.111 -2.841 7.061 1.00 0.00 H new ATOM 0 HD1 PHE A 116 -3.787 -3.276 4.692 1.00 0.00 H new ATOM 0 HD2 PHE A 116 -3.577 0.664 6.295 1.00 0.00 H new ATOM 0 HE1 PHE A 116 -3.733 -2.357 2.416 1.00 0.00 H new ATOM 0 HE2 PHE A 116 -3.521 1.588 4.019 1.00 0.00 H new ATOM 0 HZ PHE A 116 -3.596 0.076 2.076 1.00 0.00 H new ATOM 1713 N GLN A 117 -6.297 -0.545 8.779 1.00 0.00 N ATOM 1714 CA GLN A 117 -7.099 0.660 8.958 1.00 0.00 C ATOM 1715 C GLN A 117 -6.368 1.886 8.420 1.00 0.00 C ATOM 1716 O GLN A 117 -5.202 2.117 8.743 1.00 0.00 O ATOM 1717 CB GLN A 117 -7.437 0.860 10.436 1.00 0.00 C ATOM 1718 CG GLN A 117 -8.298 2.083 10.704 1.00 0.00 C ATOM 1719 CD GLN A 117 -9.568 2.096 9.875 1.00 0.00 C ATOM 1720 OE1 GLN A 117 -10.265 1.087 9.772 1.00 0.00 O ATOM 1721 NE2 GLN A 117 -9.875 3.242 9.280 1.00 0.00 N ATOM 0 H GLN A 117 -6.020 -1.000 9.649 1.00 0.00 H new ATOM 0 HA GLN A 117 -8.024 0.536 8.396 1.00 0.00 H new ATOM 0 HB2 GLN A 117 -7.954 -0.026 10.805 1.00 0.00 H new ATOM 0 HB3 GLN A 117 -6.510 0.947 11.003 1.00 0.00 H new ATOM 0 HG2 GLN A 117 -8.559 2.114 11.762 1.00 0.00 H new ATOM 0 HG3 GLN A 117 -7.721 2.983 10.491 1.00 0.00 H new ATOM 0 HE21 GLN A 117 -9.268 4.054 9.393 1.00 0.00 H new ATOM 0 HE22 GLN A 117 -10.718 3.311 8.710 1.00 0.00 H new ATOM 1730 N CYS A 118 -7.059 2.669 7.599 1.00 0.00 N ATOM 1731 CA CYS A 118 -6.475 3.872 7.017 1.00 0.00 C ATOM 1732 C CYS A 118 -7.562 4.845 6.571 1.00 0.00 C ATOM 1733 O CYS A 118 -8.748 4.515 6.585 1.00 0.00 O ATOM 1734 CB CYS A 118 -5.582 3.508 5.829 1.00 0.00 C ATOM 1735 SG CYS A 118 -6.403 2.501 4.571 1.00 0.00 S ATOM 0 H CYS A 118 -8.024 2.492 7.321 1.00 0.00 H new ATOM 0 HA CYS A 118 -5.870 4.358 7.783 1.00 0.00 H new ATOM 0 HB2 CYS A 118 -5.220 4.426 5.365 1.00 0.00 H new ATOM 0 HB3 CYS A 118 -4.708 2.970 6.196 1.00 0.00 H new ATOM 0 HG CYS A 118 -5.594 1.568 4.166 1.00 0.00 H new ATOM 1741 N GLU A 119 -7.149 6.045 6.176 1.00 0.00 N ATOM 1742 CA GLU A 119 -8.088 7.066 5.726 1.00 0.00 C ATOM 1743 C GLU A 119 -8.538 6.799 4.292 1.00 0.00 C ATOM 1744 O GLU A 119 -7.788 6.242 3.490 1.00 0.00 O ATOM 1745 CB GLU A 119 -7.450 8.453 5.823 1.00 0.00 C ATOM 1746 CG GLU A 119 -7.502 9.048 7.221 1.00 0.00 C ATOM 1747 CD GLU A 119 -6.180 9.660 7.643 1.00 0.00 C ATOM 1748 OE1 GLU A 119 -5.742 10.633 6.994 1.00 0.00 O ATOM 1749 OE2 GLU A 119 -5.583 9.166 8.623 1.00 0.00 O ATOM 0 H GLU A 119 -6.171 6.334 6.158 1.00 0.00 H new ATOM 0 HA GLU A 119 -8.963 7.030 6.374 1.00 0.00 H new ATOM 0 HB2 GLU A 119 -6.410 8.389 5.502 1.00 0.00 H new ATOM 0 HB3 GLU A 119 -7.956 9.126 5.131 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -8.280 9.811 7.259 1.00 0.00 H new ATOM 0 HG3 GLU A 119 -7.782 8.271 7.932 1.00 0.00 H new ATOM 1756 N PRO A 120 -9.776 7.195 3.949 1.00 0.00 N ATOM 1757 CA PRO A 120 -10.325 6.995 2.603 1.00 0.00 C ATOM 1758 C PRO A 120 -9.441 7.608 1.522 1.00 0.00 C ATOM 1759 O PRO A 120 -8.896 8.697 1.696 1.00 0.00 O ATOM 1760 CB PRO A 120 -11.679 7.710 2.655 1.00 0.00 C ATOM 1761 CG PRO A 120 -12.037 7.743 4.100 1.00 0.00 C ATOM 1762 CD PRO A 120 -10.738 7.865 4.842 1.00 0.00 C ATOM 0 HA PRO A 120 -10.399 5.938 2.348 1.00 0.00 H new ATOM 0 HB2 PRO A 120 -11.611 8.716 2.241 1.00 0.00 H new ATOM 0 HB3 PRO A 120 -12.431 7.176 2.073 1.00 0.00 H new ATOM 0 HG2 PRO A 120 -12.694 8.585 4.321 1.00 0.00 H new ATOM 0 HG3 PRO A 120 -12.570 6.838 4.391 1.00 0.00 H new ATOM 0 HD2 PRO A 120 -10.469 8.907 5.014 1.00 0.00 H new ATOM 0 HD3 PRO A 120 -10.785 7.382 5.818 1.00 0.00 H new ATOM 1770 N LEU A 121 -9.304 6.901 0.404 1.00 0.00 N ATOM 1771 CA LEU A 121 -8.486 7.377 -0.706 1.00 0.00 C ATOM 1772 C LEU A 121 -7.042 7.591 -0.266 1.00 0.00 C ATOM 1773 O LEU A 121 -6.390 8.548 -0.683 1.00 0.00 O ATOM 1774 CB LEU A 121 -9.060 8.680 -1.265 1.00 0.00 C ATOM 1775 CG LEU A 121 -10.572 8.677 -1.493 1.00 0.00 C ATOM 1776 CD1 LEU A 121 -11.105 10.100 -1.562 1.00 0.00 C ATOM 1777 CD2 LEU A 121 -10.918 7.914 -2.763 1.00 0.00 C ATOM 0 H LEU A 121 -9.749 5.997 0.243 1.00 0.00 H new ATOM 0 HA LEU A 121 -8.499 6.617 -1.487 1.00 0.00 H new ATOM 0 HB2 LEU A 121 -8.813 9.491 -0.580 1.00 0.00 H new ATOM 0 HB3 LEU A 121 -8.566 8.900 -2.211 1.00 0.00 H new ATOM 0 HG LEU A 121 -11.046 8.174 -0.650 1.00 0.00 H new ATOM 0 HD11 LEU A 121 -12.183 10.077 -1.725 1.00 0.00 H new ATOM 0 HD12 LEU A 121 -10.890 10.615 -0.626 1.00 0.00 H new ATOM 0 HD13 LEU A 121 -10.625 10.629 -2.385 1.00 0.00 H new ATOM 0 HD21 LEU A 121 -11.998 7.922 -2.909 1.00 0.00 H new ATOM 0 HD22 LEU A 121 -10.433 8.388 -3.616 1.00 0.00 H new ATOM 0 HD23 LEU A 121 -10.572 6.884 -2.675 1.00 0.00 H new ATOM 1789 N LYS A 122 -6.547 6.693 0.582 1.00 0.00 N ATOM 1790 CA LYS A 122 -5.179 6.785 1.078 1.00 0.00 C ATOM 1791 C LYS A 122 -4.474 5.435 0.991 1.00 0.00 C ATOM 1792 O LYS A 122 -3.397 5.324 0.406 1.00 0.00 O ATOM 1793 CB LYS A 122 -5.173 7.283 2.525 1.00 0.00 C ATOM 1794 CG LYS A 122 -5.972 8.561 2.733 1.00 0.00 C ATOM 1795 CD LYS A 122 -5.113 9.669 3.319 1.00 0.00 C ATOM 1796 CE LYS A 122 -5.614 11.042 2.903 1.00 0.00 C ATOM 1797 NZ LYS A 122 -5.198 12.102 3.863 1.00 0.00 N ATOM 0 H LYS A 122 -7.073 5.895 0.939 1.00 0.00 H new ATOM 0 HA LYS A 122 -4.640 7.496 0.452 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -5.577 6.503 3.170 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -4.143 7.454 2.837 1.00 0.00 H new ATOM 0 HG2 LYS A 122 -6.390 8.889 1.781 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -6.812 8.361 3.398 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -5.114 9.595 4.406 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -4.081 9.543 2.991 1.00 0.00 H new ATOM 0 HE2 LYS A 122 -5.233 11.282 1.910 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -6.701 11.025 2.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -6.042 12.538 4.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -4.613 11.681 4.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -4.648 12.828 3.361 1.00 0.00 H new ATOM 1811 N GLY A 123 -5.089 4.412 1.574 1.00 0.00 N ATOM 1812 CA GLY A 123 -4.506 3.084 1.549 1.00 0.00 C ATOM 1813 C GLY A 123 -4.593 2.435 0.183 1.00 0.00 C ATOM 1814 O GLY A 123 -5.678 2.074 -0.272 1.00 0.00 O ATOM 0 H GLY A 123 -5.981 4.479 2.064 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -3.461 3.144 1.853 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -5.014 2.454 2.279 1.00 0.00 H new ATOM 1818 N ILE A 124 -3.447 2.288 -0.475 1.00 0.00 N ATOM 1819 CA ILE A 124 -3.397 1.679 -1.799 1.00 0.00 C ATOM 1820 C ILE A 124 -2.563 0.401 -1.784 1.00 0.00 C ATOM 1821 O ILE A 124 -1.571 0.304 -1.061 1.00 0.00 O ATOM 1822 CB ILE A 124 -2.819 2.653 -2.845 1.00 0.00 C ATOM 1823 CG1 ILE A 124 -2.874 2.033 -4.243 1.00 0.00 C ATOM 1824 CG2 ILE A 124 -1.391 3.036 -2.485 1.00 0.00 C ATOM 1825 CD1 ILE A 124 -3.286 3.012 -5.322 1.00 0.00 C ATOM 0 H ILE A 124 -2.540 2.583 -0.112 1.00 0.00 H new ATOM 0 HA ILE A 124 -4.422 1.434 -2.076 1.00 0.00 H new ATOM 0 HB ILE A 124 -3.427 3.558 -2.847 1.00 0.00 H new ATOM 0 HG12 ILE A 124 -1.894 1.624 -4.489 1.00 0.00 H new ATOM 0 HG13 ILE A 124 -3.575 1.198 -4.234 1.00 0.00 H new ATOM 0 HG21 ILE A 124 -0.999 3.724 -3.234 1.00 0.00 H new ATOM 0 HG22 ILE A 124 -1.379 3.519 -1.508 1.00 0.00 H new ATOM 0 HG23 ILE A 124 -0.771 2.140 -2.455 1.00 0.00 H new ATOM 0 HD11 ILE A 124 -3.304 2.504 -6.286 1.00 0.00 H new ATOM 0 HD12 ILE A 124 -4.279 3.402 -5.099 1.00 0.00 H new ATOM 0 HD13 ILE A 124 -2.572 3.835 -5.358 1.00 0.00 H new ATOM 1837 N PHE A 125 -2.970 -0.576 -2.588 1.00 0.00 N ATOM 1838 CA PHE A 125 -2.261 -1.847 -2.668 1.00 0.00 C ATOM 1839 C PHE A 125 -1.343 -1.883 -3.886 1.00 0.00 C ATOM 1840 O PHE A 125 -1.808 -1.886 -5.026 1.00 0.00 O ATOM 1841 CB PHE A 125 -3.255 -3.008 -2.732 1.00 0.00 C ATOM 1842 CG PHE A 125 -3.738 -3.461 -1.384 1.00 0.00 C ATOM 1843 CD1 PHE A 125 -2.908 -4.188 -0.544 1.00 0.00 C ATOM 1844 CD2 PHE A 125 -5.022 -3.162 -0.957 1.00 0.00 C ATOM 1845 CE1 PHE A 125 -3.350 -4.606 0.697 1.00 0.00 C ATOM 1846 CE2 PHE A 125 -5.469 -3.579 0.283 1.00 0.00 C ATOM 1847 CZ PHE A 125 -4.632 -4.301 1.110 1.00 0.00 C ATOM 0 H PHE A 125 -3.788 -0.511 -3.194 1.00 0.00 H new ATOM 0 HA PHE A 125 -1.650 -1.949 -1.771 1.00 0.00 H new ATOM 0 HB2 PHE A 125 -4.113 -2.708 -3.334 1.00 0.00 H new ATOM 0 HB3 PHE A 125 -2.786 -3.849 -3.242 1.00 0.00 H new ATOM 0 HD1 PHE A 125 -1.905 -4.430 -0.863 1.00 0.00 H new ATOM 0 HD2 PHE A 125 -5.681 -2.597 -1.600 1.00 0.00 H new ATOM 0 HE1 PHE A 125 -2.694 -5.170 1.343 1.00 0.00 H new ATOM 0 HE2 PHE A 125 -6.472 -3.340 0.604 1.00 0.00 H new ATOM 0 HZ PHE A 125 -4.980 -4.627 2.079 1.00 0.00 H new ATOM 1857 N THR A 126 -0.037 -1.912 -3.637 1.00 0.00 N ATOM 1858 CA THR A 126 0.946 -1.950 -4.714 1.00 0.00 C ATOM 1859 C THR A 126 2.070 -2.929 -4.389 1.00 0.00 C ATOM 1860 O THR A 126 2.147 -3.454 -3.279 1.00 0.00 O ATOM 1861 CB THR A 126 1.522 -0.555 -4.958 1.00 0.00 C ATOM 1862 OG1 THR A 126 2.550 -0.601 -5.930 1.00 0.00 O ATOM 1863 CG2 THR A 126 2.097 0.082 -3.712 1.00 0.00 C ATOM 0 H THR A 126 0.365 -1.910 -2.699 1.00 0.00 H new ATOM 0 HA THR A 126 0.443 -2.289 -5.620 1.00 0.00 H new ATOM 0 HB THR A 126 0.681 0.049 -5.300 1.00 0.00 H new ATOM 0 HG1 THR A 126 2.905 0.301 -6.074 1.00 0.00 H new ATOM 0 HG21 THR A 126 2.488 1.070 -3.956 1.00 0.00 H new ATOM 0 HG22 THR A 126 1.315 0.177 -2.958 1.00 0.00 H new ATOM 0 HG23 THR A 126 2.902 -0.541 -3.323 1.00 0.00 H new ATOM 1871 N ARG A 127 2.939 -3.170 -5.365 1.00 0.00 N ATOM 1872 CA ARG A 127 4.059 -4.086 -5.182 1.00 0.00 C ATOM 1873 C ARG A 127 5.187 -3.421 -4.395 1.00 0.00 C ATOM 1874 O ARG A 127 5.509 -2.255 -4.626 1.00 0.00 O ATOM 1875 CB ARG A 127 4.581 -4.564 -6.539 1.00 0.00 C ATOM 1876 CG ARG A 127 3.629 -5.502 -7.261 1.00 0.00 C ATOM 1877 CD ARG A 127 2.568 -4.733 -8.033 1.00 0.00 C ATOM 1878 NE ARG A 127 1.879 -5.579 -9.005 1.00 0.00 N ATOM 1879 CZ ARG A 127 2.432 -6.012 -10.135 1.00 0.00 C ATOM 1880 NH1 ARG A 127 3.681 -5.682 -10.440 1.00 0.00 N ATOM 1881 NH2 ARG A 127 1.735 -6.778 -10.963 1.00 0.00 N ATOM 0 H ARG A 127 2.889 -2.744 -6.290 1.00 0.00 H new ATOM 0 HA ARG A 127 3.703 -4.945 -4.614 1.00 0.00 H new ATOM 0 HB2 ARG A 127 4.772 -3.697 -7.171 1.00 0.00 H new ATOM 0 HB3 ARG A 127 5.536 -5.070 -6.394 1.00 0.00 H new ATOM 0 HG2 ARG A 127 4.191 -6.136 -7.946 1.00 0.00 H new ATOM 0 HG3 ARG A 127 3.148 -6.161 -6.538 1.00 0.00 H new ATOM 0 HD2 ARG A 127 1.842 -4.317 -7.335 1.00 0.00 H new ATOM 0 HD3 ARG A 127 3.032 -3.892 -8.548 1.00 0.00 H new ATOM 0 HE ARG A 127 0.917 -5.854 -8.805 1.00 0.00 H new ATOM 0 HH11 ARG A 127 4.222 -5.093 -9.807 1.00 0.00 H new ATOM 0 HH12 ARG A 127 4.100 -6.017 -11.308 1.00 0.00 H new ATOM 0 HH21 ARG A 127 0.775 -7.035 -10.734 1.00 0.00 H new ATOM 0 HH22 ARG A 127 2.159 -7.110 -11.829 1.00 0.00 H new ATOM 1895 N PRO A 128 5.810 -4.153 -3.453 1.00 0.00 N ATOM 1896 CA PRO A 128 6.908 -3.618 -2.637 1.00 0.00 C ATOM 1897 C PRO A 128 8.065 -3.109 -3.489 1.00 0.00 C ATOM 1898 O PRO A 128 8.646 -2.062 -3.204 1.00 0.00 O ATOM 1899 CB PRO A 128 7.356 -4.818 -1.798 1.00 0.00 C ATOM 1900 CG PRO A 128 6.187 -5.740 -1.786 1.00 0.00 C ATOM 1901 CD PRO A 128 5.497 -5.551 -3.107 1.00 0.00 C ATOM 0 HA PRO A 128 6.588 -2.763 -2.042 1.00 0.00 H new ATOM 0 HB2 PRO A 128 8.232 -5.298 -2.233 1.00 0.00 H new ATOM 0 HB3 PRO A 128 7.628 -4.513 -0.788 1.00 0.00 H new ATOM 0 HG2 PRO A 128 6.507 -6.774 -1.657 1.00 0.00 H new ATOM 0 HG3 PRO A 128 5.516 -5.509 -0.959 1.00 0.00 H new ATOM 0 HD2 PRO A 128 5.871 -6.245 -3.859 1.00 0.00 H new ATOM 0 HD3 PRO A 128 4.422 -5.715 -3.027 1.00 0.00 H new ATOM 1909 N SER A 129 8.398 -3.859 -4.535 1.00 0.00 N ATOM 1910 CA SER A 129 9.491 -3.488 -5.427 1.00 0.00 C ATOM 1911 C SER A 129 9.237 -2.129 -6.074 1.00 0.00 C ATOM 1912 O SER A 129 10.176 -1.413 -6.423 1.00 0.00 O ATOM 1913 CB SER A 129 9.675 -4.555 -6.510 1.00 0.00 C ATOM 1914 OG SER A 129 11.046 -4.866 -6.690 1.00 0.00 O ATOM 0 H SER A 129 7.926 -4.728 -4.786 1.00 0.00 H new ATOM 0 HA SER A 129 10.402 -3.418 -4.832 1.00 0.00 H new ATOM 0 HB2 SER A 129 9.127 -5.456 -6.234 1.00 0.00 H new ATOM 0 HB3 SER A 129 9.253 -4.200 -7.450 1.00 0.00 H new ATOM 0 HG SER A 129 11.138 -5.551 -7.385 1.00 0.00 H new ATOM 1920 N LYS A 130 7.965 -1.777 -6.231 1.00 0.00 N ATOM 1921 CA LYS A 130 7.594 -0.503 -6.836 1.00 0.00 C ATOM 1922 C LYS A 130 7.851 0.654 -5.876 1.00 0.00 C ATOM 1923 O LYS A 130 8.045 1.793 -6.299 1.00 0.00 O ATOM 1924 CB LYS A 130 6.122 -0.520 -7.251 1.00 0.00 C ATOM 1925 CG LYS A 130 5.876 -1.184 -8.596 1.00 0.00 C ATOM 1926 CD LYS A 130 6.209 -0.249 -9.747 1.00 0.00 C ATOM 1927 CE LYS A 130 6.097 -0.955 -11.089 1.00 0.00 C ATOM 1928 NZ LYS A 130 7.422 -1.415 -11.587 1.00 0.00 N ATOM 0 H LYS A 130 7.174 -2.356 -5.948 1.00 0.00 H new ATOM 0 HA LYS A 130 8.212 -0.358 -7.722 1.00 0.00 H new ATOM 0 HB2 LYS A 130 5.544 -1.040 -6.487 1.00 0.00 H new ATOM 0 HB3 LYS A 130 5.752 0.505 -7.288 1.00 0.00 H new ATOM 0 HG2 LYS A 130 6.481 -2.088 -8.673 1.00 0.00 H new ATOM 0 HG3 LYS A 130 4.833 -1.492 -8.666 1.00 0.00 H new ATOM 0 HD2 LYS A 130 5.535 0.607 -9.728 1.00 0.00 H new ATOM 0 HD3 LYS A 130 7.220 0.138 -9.622 1.00 0.00 H new ATOM 0 HE2 LYS A 130 5.428 -1.810 -10.994 1.00 0.00 H new ATOM 0 HE3 LYS A 130 5.650 -0.280 -11.818 1.00 0.00 H new ATOM 0 HZ1 LYS A 130 7.302 -1.891 -12.504 1.00 0.00 H new ATOM 0 HZ2 LYS A 130 8.053 -0.596 -11.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 130 7.838 -2.080 -10.904 1.00 0.00 H new ATOM 1942 N LEU A 131 7.850 0.354 -4.580 1.00 0.00 N ATOM 1943 CA LEU A 131 8.082 1.372 -3.561 1.00 0.00 C ATOM 1944 C LEU A 131 9.535 1.838 -3.578 1.00 0.00 C ATOM 1945 O LEU A 131 10.431 1.098 -3.984 1.00 0.00 O ATOM 1946 CB LEU A 131 7.725 0.826 -2.177 1.00 0.00 C ATOM 1947 CG LEU A 131 6.465 -0.040 -2.126 1.00 0.00 C ATOM 1948 CD1 LEU A 131 6.139 -0.423 -0.690 1.00 0.00 C ATOM 1949 CD2 LEU A 131 5.291 0.687 -2.764 1.00 0.00 C ATOM 0 H LEU A 131 7.691 -0.584 -4.212 1.00 0.00 H new ATOM 0 HA LEU A 131 7.443 2.227 -3.783 1.00 0.00 H new ATOM 0 HB2 LEU A 131 8.566 0.239 -1.807 1.00 0.00 H new ATOM 0 HB3 LEU A 131 7.598 1.666 -1.494 1.00 0.00 H new ATOM 0 HG LEU A 131 6.652 -0.953 -2.692 1.00 0.00 H new ATOM 0 HD11 LEU A 131 5.240 -1.039 -0.673 1.00 0.00 H new ATOM 0 HD12 LEU A 131 6.971 -0.984 -0.265 1.00 0.00 H new ATOM 0 HD13 LEU A 131 5.972 0.479 -0.102 1.00 0.00 H new ATOM 0 HD21 LEU A 131 4.404 0.055 -2.718 1.00 0.00 H new ATOM 0 HD22 LEU A 131 5.103 1.616 -2.226 1.00 0.00 H new ATOM 0 HD23 LEU A 131 5.524 0.911 -3.805 1.00 0.00 H new ATOM 1961 N THR A 132 9.759 3.071 -3.133 1.00 0.00 N ATOM 1962 CA THR A 132 11.104 3.638 -3.096 1.00 0.00 C ATOM 1963 C THR A 132 11.257 4.595 -1.919 1.00 0.00 C ATOM 1964 O THR A 132 10.296 5.244 -1.505 1.00 0.00 O ATOM 1965 CB THR A 132 11.408 4.367 -4.405 1.00 0.00 C ATOM 1966 OG1 THR A 132 10.558 5.489 -4.564 1.00 0.00 O ATOM 1967 CG2 THR A 132 11.249 3.493 -5.630 1.00 0.00 C ATOM 0 H THR A 132 9.028 3.696 -2.793 1.00 0.00 H new ATOM 0 HA THR A 132 11.814 2.820 -2.971 1.00 0.00 H new ATOM 0 HB THR A 132 12.452 4.670 -4.329 1.00 0.00 H new ATOM 0 HG1 THR A 132 9.630 5.222 -4.399 1.00 0.00 H new ATOM 0 HG21 THR A 132 11.480 4.073 -6.523 1.00 0.00 H new ATOM 0 HG22 THR A 132 11.930 2.644 -5.562 1.00 0.00 H new ATOM 0 HG23 THR A 132 10.223 3.131 -5.688 1.00 0.00 H new ATOM 1975 N ARG A 133 12.471 4.679 -1.383 1.00 0.00 N ATOM 1976 CA ARG A 133 12.749 5.558 -0.255 1.00 0.00 C ATOM 1977 C ARG A 133 13.091 6.967 -0.731 1.00 0.00 C ATOM 1978 O ARG A 133 14.011 7.158 -1.526 1.00 0.00 O ATOM 1979 CB ARG A 133 13.899 4.994 0.585 1.00 0.00 C ATOM 1980 CG ARG A 133 13.448 4.388 1.904 1.00 0.00 C ATOM 1981 CD ARG A 133 14.021 5.144 3.093 1.00 0.00 C ATOM 1982 NE ARG A 133 15.407 4.769 3.366 1.00 0.00 N ATOM 1983 CZ ARG A 133 16.245 5.504 4.093 1.00 0.00 C ATOM 1984 NH1 ARG A 133 15.842 6.652 4.622 1.00 0.00 N ATOM 1985 NH2 ARG A 133 17.489 5.090 4.291 1.00 0.00 N ATOM 0 H ARG A 133 13.277 4.148 -1.713 1.00 0.00 H new ATOM 0 HA ARG A 133 11.851 5.613 0.361 1.00 0.00 H new ATOM 0 HB2 ARG A 133 14.422 4.234 0.005 1.00 0.00 H new ATOM 0 HB3 ARG A 133 14.615 5.790 0.787 1.00 0.00 H new ATOM 0 HG2 ARG A 133 12.359 4.398 1.956 1.00 0.00 H new ATOM 0 HG3 ARG A 133 13.760 3.345 1.951 1.00 0.00 H new ATOM 0 HD2 ARG A 133 13.967 6.216 2.901 1.00 0.00 H new ATOM 0 HD3 ARG A 133 13.412 4.947 3.975 1.00 0.00 H new ATOM 0 HE ARG A 133 15.752 3.892 2.976 1.00 0.00 H new ATOM 0 HH11 ARG A 133 14.886 6.975 4.472 1.00 0.00 H new ATOM 0 HH12 ARG A 133 16.488 7.212 5.178 1.00 0.00 H new ATOM 0 HH21 ARG A 133 17.804 4.208 3.886 1.00 0.00 H new ATOM 0 HH22 ARG A 133 18.131 5.653 4.848 1.00 0.00 H new ATOM 1999 N LYS A 134 12.344 7.950 -0.238 1.00 0.00 N ATOM 2000 CA LYS A 134 12.568 9.343 -0.612 1.00 0.00 C ATOM 2001 C LYS A 134 12.381 9.543 -2.112 1.00 0.00 C ATOM 2002 O LYS A 134 12.431 8.587 -2.887 1.00 0.00 O ATOM 2003 CB LYS A 134 13.975 9.783 -0.199 1.00 0.00 C ATOM 2004 CG LYS A 134 14.088 10.161 1.269 1.00 0.00 C ATOM 2005 CD LYS A 134 14.031 11.669 1.463 1.00 0.00 C ATOM 2006 CE LYS A 134 15.349 12.329 1.090 1.00 0.00 C ATOM 2007 NZ LYS A 134 15.284 12.982 -0.247 1.00 0.00 N ATOM 0 H LYS A 134 11.579 7.808 0.421 1.00 0.00 H new ATOM 0 HA LYS A 134 11.833 9.955 -0.089 1.00 0.00 H new ATOM 0 HB2 LYS A 134 14.676 8.976 -0.413 1.00 0.00 H new ATOM 0 HB3 LYS A 134 14.274 10.635 -0.809 1.00 0.00 H new ATOM 0 HG2 LYS A 134 13.281 9.690 1.830 1.00 0.00 H new ATOM 0 HG3 LYS A 134 15.024 9.776 1.674 1.00 0.00 H new ATOM 0 HD2 LYS A 134 13.229 12.085 0.853 1.00 0.00 H new ATOM 0 HD3 LYS A 134 13.791 11.894 2.502 1.00 0.00 H new ATOM 0 HE2 LYS A 134 15.610 13.071 1.844 1.00 0.00 H new ATOM 0 HE3 LYS A 134 16.142 11.582 1.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 134 16.048 12.615 -0.850 1.00 0.00 H new ATOM 0 HZ2 LYS A 134 14.365 12.777 -0.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 134 15.393 14.010 -0.137 1.00 0.00 H new