USER MOD reduce.3.24.130724 H: found=0, std=0, add=552, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 553 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 74 ASN : amide:sc= -0.768 K(o=-0.77,f=0) USER MOD Single : A 76 ASN : amide:sc= -0.59 K(o=-0.59,f=-2.3!) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 GLN : amide:sc= 0 X(o=0,f=-0.035) USER MOD Single : A 87 THR OG1 : rot -101:sc= 1.15 USER MOD Single : A 88 GLN : amide:sc= -0.435 X(o=-0.44,f=0) USER MOD Single : A 93 GLN : amide:sc= -0.115 X(o=-0.11,f=0) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 ASN : amide:sc= -1.16 K(o=-1.2,f=-0.39) USER MOD Single : A 109 SER OG : rot 180:sc= -0.127 USER MOD Single : A 115 TYR OH : rot 71:sc= 0.193 USER MOD Single : A 117 GLN : amide:sc= -1.32 K(o=-1.3,f=-2.4) USER MOD Single : A 118 CYS SG : rot -139:sc= -1.44 USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 126 THR OG1 : rot 180:sc= -0.179 USER MOD Single : A 129 SER OG : rot 180:sc= 0 USER MOD Single : A 130 LYS NZ :NH3+ 164:sc=-0.00157 (180deg=-0.193) USER MOD Single : A 132 THR OG1 : rot -56:sc= -0.712 USER MOD Single : A 134 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 915 N PHE A 65 10.926 -4.650 2.748 1.00 0.00 N ATOM 916 CA PHE A 65 10.362 -3.542 3.510 1.00 0.00 C ATOM 917 C PHE A 65 9.742 -4.038 4.812 1.00 0.00 C ATOM 918 O PHE A 65 9.517 -5.235 4.989 1.00 0.00 O ATOM 919 CB PHE A 65 9.309 -2.809 2.677 1.00 0.00 C ATOM 920 CG PHE A 65 9.865 -2.170 1.436 1.00 0.00 C ATOM 921 CD1 PHE A 65 10.111 -2.926 0.302 1.00 0.00 C ATOM 922 CD2 PHE A 65 10.141 -0.812 1.405 1.00 0.00 C ATOM 923 CE1 PHE A 65 10.622 -2.340 -0.841 1.00 0.00 C ATOM 924 CE2 PHE A 65 10.652 -0.221 0.265 1.00 0.00 C ATOM 925 CZ PHE A 65 10.892 -0.986 -0.859 1.00 0.00 C ATOM 0 HA PHE A 65 11.169 -2.851 3.753 1.00 0.00 H new ATOM 0 HB2 PHE A 65 8.526 -3.513 2.394 1.00 0.00 H new ATOM 0 HB3 PHE A 65 8.840 -2.041 3.293 1.00 0.00 H new ATOM 0 HD1 PHE A 65 9.901 -3.985 0.311 1.00 0.00 H new ATOM 0 HD2 PHE A 65 9.955 -0.209 2.281 1.00 0.00 H new ATOM 0 HE1 PHE A 65 10.810 -2.940 -1.719 1.00 0.00 H new ATOM 0 HE2 PHE A 65 10.863 0.838 0.253 1.00 0.00 H new ATOM 0 HZ PHE A 65 11.290 -0.526 -1.751 1.00 0.00 H new ATOM 935 N ARG A 66 9.468 -3.109 5.722 1.00 0.00 N ATOM 936 CA ARG A 66 8.873 -3.451 7.009 1.00 0.00 C ATOM 937 C ARG A 66 7.587 -2.665 7.240 1.00 0.00 C ATOM 938 O ARG A 66 7.383 -1.602 6.652 1.00 0.00 O ATOM 939 CB ARG A 66 9.866 -3.176 8.142 1.00 0.00 C ATOM 940 CG ARG A 66 10.000 -4.326 9.127 1.00 0.00 C ATOM 941 CD ARG A 66 11.428 -4.469 9.629 1.00 0.00 C ATOM 942 NE ARG A 66 11.577 -3.989 11.000 1.00 0.00 N ATOM 943 CZ ARG A 66 11.222 -4.690 12.075 1.00 0.00 C ATOM 944 NH1 ARG A 66 10.697 -5.902 11.940 1.00 0.00 N ATOM 945 NH2 ARG A 66 11.393 -4.180 13.286 1.00 0.00 N ATOM 0 H ARG A 66 9.648 -2.114 5.592 1.00 0.00 H new ATOM 0 HA ARG A 66 8.630 -4.513 6.999 1.00 0.00 H new ATOM 0 HB2 ARG A 66 10.844 -2.961 7.712 1.00 0.00 H new ATOM 0 HB3 ARG A 66 9.551 -2.282 8.681 1.00 0.00 H new ATOM 0 HG2 ARG A 66 9.331 -4.162 9.972 1.00 0.00 H new ATOM 0 HG3 ARG A 66 9.687 -5.254 8.649 1.00 0.00 H new ATOM 0 HD2 ARG A 66 11.727 -5.516 9.577 1.00 0.00 H new ATOM 0 HD3 ARG A 66 12.099 -3.913 8.975 1.00 0.00 H new ATOM 0 HE ARG A 66 11.977 -3.062 11.143 1.00 0.00 H new ATOM 0 HH11 ARG A 66 10.564 -6.300 11.010 1.00 0.00 H new ATOM 0 HH12 ARG A 66 10.426 -6.436 12.766 1.00 0.00 H new ATOM 0 HH21 ARG A 66 11.797 -3.250 13.395 1.00 0.00 H new ATOM 0 HH22 ARG A 66 11.121 -4.718 14.109 1.00 0.00 H new ATOM 959 N VAL A 67 6.721 -3.194 8.098 1.00 0.00 N ATOM 960 CA VAL A 67 5.455 -2.542 8.405 1.00 0.00 C ATOM 961 C VAL A 67 5.668 -1.310 9.279 1.00 0.00 C ATOM 962 O VAL A 67 5.972 -1.424 10.467 1.00 0.00 O ATOM 963 CB VAL A 67 4.485 -3.503 9.121 1.00 0.00 C ATOM 964 CG1 VAL A 67 3.117 -2.859 9.286 1.00 0.00 C ATOM 965 CG2 VAL A 67 4.377 -4.815 8.360 1.00 0.00 C ATOM 0 H VAL A 67 6.874 -4.073 8.593 1.00 0.00 H new ATOM 0 HA VAL A 67 5.018 -2.239 7.453 1.00 0.00 H new ATOM 0 HB VAL A 67 4.881 -3.716 10.114 1.00 0.00 H new ATOM 0 HG11 VAL A 67 2.447 -3.553 9.793 1.00 0.00 H new ATOM 0 HG12 VAL A 67 3.212 -1.949 9.878 1.00 0.00 H new ATOM 0 HG13 VAL A 67 2.710 -2.613 8.305 1.00 0.00 H new ATOM 0 HG21 VAL A 67 3.688 -5.481 8.879 1.00 0.00 H new ATOM 0 HG22 VAL A 67 4.006 -4.622 7.353 1.00 0.00 H new ATOM 0 HG23 VAL A 67 5.360 -5.283 8.301 1.00 0.00 H new ATOM 975 N GLY A 68 5.510 -0.133 8.682 1.00 0.00 N ATOM 976 CA GLY A 68 5.690 1.104 9.421 1.00 0.00 C ATOM 977 C GLY A 68 6.884 1.902 8.934 1.00 0.00 C ATOM 978 O GLY A 68 7.518 2.618 9.708 1.00 0.00 O ATOM 0 H GLY A 68 5.261 -0.013 7.700 1.00 0.00 H new ATOM 0 HA2 GLY A 68 4.790 1.712 9.331 1.00 0.00 H new ATOM 0 HA3 GLY A 68 5.816 0.876 10.479 1.00 0.00 H new ATOM 982 N GLU A 69 7.189 1.780 7.646 1.00 0.00 N ATOM 983 CA GLU A 69 8.314 2.495 7.055 1.00 0.00 C ATOM 984 C GLU A 69 7.841 3.433 5.949 1.00 0.00 C ATOM 985 O GLU A 69 6.955 3.089 5.167 1.00 0.00 O ATOM 986 CB GLU A 69 9.339 1.506 6.497 1.00 0.00 C ATOM 987 CG GLU A 69 9.893 0.551 7.542 1.00 0.00 C ATOM 988 CD GLU A 69 11.406 0.457 7.505 1.00 0.00 C ATOM 989 OE1 GLU A 69 11.931 -0.343 6.702 1.00 0.00 O ATOM 990 OE2 GLU A 69 12.066 1.184 8.277 1.00 0.00 O ATOM 0 H GLU A 69 6.672 1.192 6.992 1.00 0.00 H new ATOM 0 HA GLU A 69 8.784 3.091 7.837 1.00 0.00 H new ATOM 0 HB2 GLU A 69 8.876 0.928 5.697 1.00 0.00 H new ATOM 0 HB3 GLU A 69 10.164 2.062 6.052 1.00 0.00 H new ATOM 0 HG2 GLU A 69 9.578 0.880 8.532 1.00 0.00 H new ATOM 0 HG3 GLU A 69 9.467 -0.440 7.385 1.00 0.00 H new ATOM 997 N ARG A 70 8.440 4.618 5.889 1.00 0.00 N ATOM 998 CA ARG A 70 8.079 5.605 4.877 1.00 0.00 C ATOM 999 C ARG A 70 8.606 5.197 3.506 1.00 0.00 C ATOM 1000 O ARG A 70 9.796 4.927 3.342 1.00 0.00 O ATOM 1001 CB ARG A 70 8.629 6.981 5.258 1.00 0.00 C ATOM 1002 CG ARG A 70 8.123 8.105 4.368 1.00 0.00 C ATOM 1003 CD ARG A 70 7.462 9.208 5.178 1.00 0.00 C ATOM 1004 NE ARG A 70 7.500 10.494 4.486 1.00 0.00 N ATOM 1005 CZ ARG A 70 8.571 11.284 4.447 1.00 0.00 C ATOM 1006 NH1 ARG A 70 9.693 10.923 5.058 1.00 0.00 N ATOM 1007 NH2 ARG A 70 8.521 12.437 3.795 1.00 0.00 N ATOM 0 H ARG A 70 9.176 4.918 6.528 1.00 0.00 H new ATOM 0 HA ARG A 70 6.991 5.656 4.828 1.00 0.00 H new ATOM 0 HB2 ARG A 70 8.359 7.198 6.292 1.00 0.00 H new ATOM 0 HB3 ARG A 70 9.718 6.954 5.212 1.00 0.00 H new ATOM 0 HG2 ARG A 70 8.954 8.520 3.798 1.00 0.00 H new ATOM 0 HG3 ARG A 70 7.410 7.705 3.647 1.00 0.00 H new ATOM 0 HD2 ARG A 70 6.426 8.937 5.382 1.00 0.00 H new ATOM 0 HD3 ARG A 70 7.963 9.300 6.142 1.00 0.00 H new ATOM 0 HE ARG A 70 6.656 10.805 4.004 1.00 0.00 H new ATOM 0 HH11 ARG A 70 9.738 10.037 5.561 1.00 0.00 H new ATOM 0 HH12 ARG A 70 10.510 11.532 5.025 1.00 0.00 H new ATOM 0 HH21 ARG A 70 7.662 12.719 3.323 1.00 0.00 H new ATOM 0 HH22 ARG A 70 9.342 13.042 3.765 1.00 0.00 H new ATOM 1021 N VAL A 71 7.713 5.152 2.523 1.00 0.00 N ATOM 1022 CA VAL A 71 8.088 4.777 1.166 1.00 0.00 C ATOM 1023 C VAL A 71 7.414 5.681 0.139 1.00 0.00 C ATOM 1024 O VAL A 71 6.424 6.348 0.440 1.00 0.00 O ATOM 1025 CB VAL A 71 7.719 3.313 0.864 1.00 0.00 C ATOM 1026 CG1 VAL A 71 8.623 2.364 1.637 1.00 0.00 C ATOM 1027 CG2 VAL A 71 6.256 3.053 1.191 1.00 0.00 C ATOM 0 H VAL A 71 6.724 5.371 2.642 1.00 0.00 H new ATOM 0 HA VAL A 71 9.169 4.893 1.095 1.00 0.00 H new ATOM 0 HB VAL A 71 7.867 3.132 -0.201 1.00 0.00 H new ATOM 0 HG11 VAL A 71 8.347 1.334 1.411 1.00 0.00 H new ATOM 0 HG12 VAL A 71 9.660 2.534 1.348 1.00 0.00 H new ATOM 0 HG13 VAL A 71 8.510 2.544 2.706 1.00 0.00 H new ATOM 0 HG21 VAL A 71 6.013 2.013 0.971 1.00 0.00 H new ATOM 0 HG22 VAL A 71 6.079 3.251 2.248 1.00 0.00 H new ATOM 0 HG23 VAL A 71 5.627 3.708 0.588 1.00 0.00 H new ATOM 1037 N TRP A 72 7.958 5.700 -1.074 1.00 0.00 N ATOM 1038 CA TRP A 72 7.409 6.523 -2.146 1.00 0.00 C ATOM 1039 C TRP A 72 6.881 5.655 -3.284 1.00 0.00 C ATOM 1040 O TRP A 72 7.653 5.032 -4.011 1.00 0.00 O ATOM 1041 CB TRP A 72 8.478 7.479 -2.680 1.00 0.00 C ATOM 1042 CG TRP A 72 8.557 8.769 -1.924 1.00 0.00 C ATOM 1043 CD1 TRP A 72 8.157 10.001 -2.360 1.00 0.00 C ATOM 1044 CD2 TRP A 72 9.069 8.959 -0.601 1.00 0.00 C ATOM 1045 NE1 TRP A 72 8.390 10.943 -1.388 1.00 0.00 N ATOM 1046 CE2 TRP A 72 8.950 10.329 -0.299 1.00 0.00 C ATOM 1047 CE3 TRP A 72 9.617 8.103 0.358 1.00 0.00 C ATOM 1048 CZ2 TRP A 72 9.358 10.861 0.922 1.00 0.00 C ATOM 1049 CZ3 TRP A 72 10.022 8.633 1.570 1.00 0.00 C ATOM 1050 CH2 TRP A 72 9.890 10.000 1.842 1.00 0.00 C ATOM 0 H TRP A 72 8.778 5.155 -1.339 1.00 0.00 H new ATOM 0 HA TRP A 72 6.580 7.101 -1.737 1.00 0.00 H new ATOM 0 HB2 TRP A 72 9.449 6.984 -2.641 1.00 0.00 H new ATOM 0 HB3 TRP A 72 8.271 7.694 -3.728 1.00 0.00 H new ATOM 0 HD1 TRP A 72 7.721 10.204 -3.327 1.00 0.00 H new ATOM 0 HE1 TRP A 72 8.180 11.938 -1.465 1.00 0.00 H new ATOM 0 HE3 TRP A 72 9.722 7.047 0.157 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 9.258 11.915 1.135 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 10.447 7.981 2.319 1.00 0.00 H new ATOM 0 HH2 TRP A 72 10.215 10.383 2.798 1.00 0.00 H new ATOM 1061 N VAL A 73 5.560 5.625 -3.436 1.00 0.00 N ATOM 1062 CA VAL A 73 4.935 4.837 -4.491 1.00 0.00 C ATOM 1063 C VAL A 73 5.121 5.506 -5.849 1.00 0.00 C ATOM 1064 O VAL A 73 4.899 6.707 -5.995 1.00 0.00 O ATOM 1065 CB VAL A 73 3.429 4.634 -4.232 1.00 0.00 C ATOM 1066 CG1 VAL A 73 2.858 3.601 -5.191 1.00 0.00 C ATOM 1067 CG2 VAL A 73 3.185 4.223 -2.788 1.00 0.00 C ATOM 0 H VAL A 73 4.905 6.135 -2.844 1.00 0.00 H new ATOM 0 HA VAL A 73 5.425 3.863 -4.493 1.00 0.00 H new ATOM 0 HB VAL A 73 2.918 5.581 -4.407 1.00 0.00 H new ATOM 0 HG11 VAL A 73 1.794 3.470 -4.994 1.00 0.00 H new ATOM 0 HG12 VAL A 73 2.998 3.941 -6.217 1.00 0.00 H new ATOM 0 HG13 VAL A 73 3.372 2.650 -5.050 1.00 0.00 H new ATOM 0 HG21 VAL A 73 2.116 4.085 -2.625 1.00 0.00 H new ATOM 0 HG22 VAL A 73 3.708 3.289 -2.582 1.00 0.00 H new ATOM 0 HG23 VAL A 73 3.556 5.001 -2.121 1.00 0.00 H new ATOM 1077 N ASN A 74 5.537 4.722 -6.838 1.00 0.00 N ATOM 1078 CA ASN A 74 5.759 5.243 -8.183 1.00 0.00 C ATOM 1079 C ASN A 74 6.889 6.272 -8.193 1.00 0.00 C ATOM 1080 O ASN A 74 7.019 7.055 -9.134 1.00 0.00 O ATOM 1081 CB ASN A 74 4.475 5.872 -8.730 1.00 0.00 C ATOM 1082 CG ASN A 74 3.726 4.939 -9.662 1.00 0.00 C ATOM 1083 OD1 ASN A 74 3.793 5.078 -10.883 1.00 0.00 O ATOM 1084 ND2 ASN A 74 3.006 3.983 -9.089 1.00 0.00 N ATOM 0 H ASN A 74 5.727 3.725 -6.734 1.00 0.00 H new ATOM 0 HA ASN A 74 6.047 4.409 -8.823 1.00 0.00 H new ATOM 0 HB2 ASN A 74 3.826 6.149 -7.899 1.00 0.00 H new ATOM 0 HB3 ASN A 74 4.722 6.791 -9.261 1.00 0.00 H new ATOM 0 HD21 ASN A 74 2.479 3.326 -9.665 1.00 0.00 H new ATOM 0 HD22 ASN A 74 2.979 3.905 -8.072 1.00 0.00 H new ATOM 1091 N GLY A 75 7.708 6.262 -7.143 1.00 0.00 N ATOM 1092 CA GLY A 75 8.817 7.194 -7.056 1.00 0.00 C ATOM 1093 C GLY A 75 8.363 8.635 -6.914 1.00 0.00 C ATOM 1094 O GLY A 75 9.016 9.549 -7.416 1.00 0.00 O ATOM 0 H GLY A 75 7.622 5.624 -6.352 1.00 0.00 H new ATOM 0 HA2 GLY A 75 9.443 6.929 -6.204 1.00 0.00 H new ATOM 0 HA3 GLY A 75 9.437 7.099 -7.948 1.00 0.00 H new ATOM 1098 N ASN A 76 7.243 8.842 -6.225 1.00 0.00 N ATOM 1099 CA ASN A 76 6.711 10.186 -6.019 1.00 0.00 C ATOM 1100 C ASN A 76 5.394 10.145 -5.249 1.00 0.00 C ATOM 1101 O ASN A 76 4.426 10.809 -5.621 1.00 0.00 O ATOM 1102 CB ASN A 76 6.506 10.890 -7.364 1.00 0.00 C ATOM 1103 CG ASN A 76 5.752 10.029 -8.358 1.00 0.00 C ATOM 1104 OD1 ASN A 76 6.343 9.447 -9.267 1.00 0.00 O ATOM 1105 ND2 ASN A 76 4.437 9.943 -8.189 1.00 0.00 N ATOM 0 H ASN A 76 6.688 8.098 -5.801 1.00 0.00 H new ATOM 0 HA ASN A 76 7.437 10.746 -5.429 1.00 0.00 H new ATOM 0 HB2 ASN A 76 5.960 11.820 -7.205 1.00 0.00 H new ATOM 0 HB3 ASN A 76 7.476 11.158 -7.782 1.00 0.00 H new ATOM 0 HD21 ASN A 76 3.877 9.378 -8.827 1.00 0.00 H new ATOM 0 HD22 ASN A 76 3.988 10.442 -7.421 1.00 0.00 H new ATOM 1112 N LYS A 77 5.363 9.364 -4.173 1.00 0.00 N ATOM 1113 CA LYS A 77 4.162 9.242 -3.354 1.00 0.00 C ATOM 1114 C LYS A 77 4.501 8.737 -1.954 1.00 0.00 C ATOM 1115 O LYS A 77 4.393 7.543 -1.673 1.00 0.00 O ATOM 1116 CB LYS A 77 3.161 8.297 -4.019 1.00 0.00 C ATOM 1117 CG LYS A 77 2.537 8.860 -5.285 1.00 0.00 C ATOM 1118 CD LYS A 77 1.401 7.984 -5.786 1.00 0.00 C ATOM 1119 CE LYS A 77 0.948 8.401 -7.175 1.00 0.00 C ATOM 1120 NZ LYS A 77 -0.454 7.980 -7.452 1.00 0.00 N ATOM 0 H LYS A 77 6.154 8.808 -3.849 1.00 0.00 H new ATOM 0 HA LYS A 77 3.715 10.232 -3.263 1.00 0.00 H new ATOM 0 HB2 LYS A 77 3.663 7.360 -4.258 1.00 0.00 H new ATOM 0 HB3 LYS A 77 2.369 8.062 -3.308 1.00 0.00 H new ATOM 0 HG2 LYS A 77 2.164 9.866 -5.091 1.00 0.00 H new ATOM 0 HG3 LYS A 77 3.299 8.947 -6.059 1.00 0.00 H new ATOM 0 HD2 LYS A 77 1.724 6.943 -5.805 1.00 0.00 H new ATOM 0 HD3 LYS A 77 0.561 8.045 -5.094 1.00 0.00 H new ATOM 0 HE2 LYS A 77 1.028 9.484 -7.273 1.00 0.00 H new ATOM 0 HE3 LYS A 77 1.612 7.963 -7.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -0.725 8.283 -8.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -0.526 6.945 -7.384 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -1.092 8.418 -6.757 1.00 0.00 H new ATOM 1134 N PRO A 78 4.913 9.644 -1.050 1.00 0.00 N ATOM 1135 CA PRO A 78 5.263 9.282 0.328 1.00 0.00 C ATOM 1136 C PRO A 78 4.068 8.733 1.101 1.00 0.00 C ATOM 1137 O PRO A 78 2.926 9.120 0.854 1.00 0.00 O ATOM 1138 CB PRO A 78 5.735 10.604 0.944 1.00 0.00 C ATOM 1139 CG PRO A 78 5.133 11.665 0.087 1.00 0.00 C ATOM 1140 CD PRO A 78 5.066 11.088 -1.297 1.00 0.00 C ATOM 0 HA PRO A 78 6.015 8.493 0.360 1.00 0.00 H new ATOM 0 HB2 PRO A 78 5.405 10.698 1.979 1.00 0.00 H new ATOM 0 HB3 PRO A 78 6.823 10.671 0.949 1.00 0.00 H new ATOM 0 HG2 PRO A 78 4.140 11.939 0.444 1.00 0.00 H new ATOM 0 HG3 PRO A 78 5.739 12.571 0.103 1.00 0.00 H new ATOM 0 HD2 PRO A 78 4.226 11.492 -1.862 1.00 0.00 H new ATOM 0 HD3 PRO A 78 5.968 11.306 -1.869 1.00 0.00 H new ATOM 1148 N GLY A 79 4.340 7.830 2.038 1.00 0.00 N ATOM 1149 CA GLY A 79 3.275 7.244 2.832 1.00 0.00 C ATOM 1150 C GLY A 79 3.799 6.323 3.916 1.00 0.00 C ATOM 1151 O GLY A 79 4.958 6.425 4.320 1.00 0.00 O ATOM 0 H GLY A 79 5.277 7.494 2.261 1.00 0.00 H new ATOM 0 HA2 GLY A 79 2.687 8.040 3.289 1.00 0.00 H new ATOM 0 HA3 GLY A 79 2.604 6.686 2.179 1.00 0.00 H new ATOM 1155 N PHE A 80 2.945 5.422 4.388 1.00 0.00 N ATOM 1156 CA PHE A 80 3.327 4.479 5.432 1.00 0.00 C ATOM 1157 C PHE A 80 2.702 3.110 5.183 1.00 0.00 C ATOM 1158 O PHE A 80 1.505 3.002 4.915 1.00 0.00 O ATOM 1159 CB PHE A 80 2.901 5.004 6.804 1.00 0.00 C ATOM 1160 CG PHE A 80 3.568 6.294 7.186 1.00 0.00 C ATOM 1161 CD1 PHE A 80 4.929 6.336 7.444 1.00 0.00 C ATOM 1162 CD2 PHE A 80 2.833 7.465 7.289 1.00 0.00 C ATOM 1163 CE1 PHE A 80 5.544 7.522 7.796 1.00 0.00 C ATOM 1164 CE2 PHE A 80 3.444 8.654 7.641 1.00 0.00 C ATOM 1165 CZ PHE A 80 4.801 8.682 7.895 1.00 0.00 C ATOM 0 H PHE A 80 1.983 5.325 4.064 1.00 0.00 H new ATOM 0 HA PHE A 80 4.412 4.373 5.412 1.00 0.00 H new ATOM 0 HB2 PHE A 80 1.820 5.147 6.810 1.00 0.00 H new ATOM 0 HB3 PHE A 80 3.127 4.250 7.559 1.00 0.00 H new ATOM 0 HD1 PHE A 80 5.515 5.432 7.369 1.00 0.00 H new ATOM 0 HD2 PHE A 80 1.771 7.448 7.092 1.00 0.00 H new ATOM 0 HE1 PHE A 80 6.606 7.542 7.994 1.00 0.00 H new ATOM 0 HE2 PHE A 80 2.861 9.560 7.717 1.00 0.00 H new ATOM 0 HZ PHE A 80 5.281 9.610 8.171 1.00 0.00 H new ATOM 1175 N ILE A 81 3.519 2.066 5.271 1.00 0.00 N ATOM 1176 CA ILE A 81 3.045 0.704 5.055 1.00 0.00 C ATOM 1177 C ILE A 81 2.312 0.176 6.282 1.00 0.00 C ATOM 1178 O ILE A 81 2.729 0.411 7.416 1.00 0.00 O ATOM 1179 CB ILE A 81 4.208 -0.248 4.716 1.00 0.00 C ATOM 1180 CG1 ILE A 81 5.085 0.352 3.616 1.00 0.00 C ATOM 1181 CG2 ILE A 81 3.672 -1.608 4.291 1.00 0.00 C ATOM 1182 CD1 ILE A 81 6.439 -0.311 3.494 1.00 0.00 C ATOM 0 H ILE A 81 4.513 2.137 5.490 1.00 0.00 H new ATOM 0 HA ILE A 81 2.356 0.739 4.211 1.00 0.00 H new ATOM 0 HB ILE A 81 4.820 -0.382 5.608 1.00 0.00 H new ATOM 0 HG12 ILE A 81 4.563 0.272 2.662 1.00 0.00 H new ATOM 0 HG13 ILE A 81 5.226 1.414 3.814 1.00 0.00 H new ATOM 0 HG21 ILE A 81 4.505 -2.270 4.055 1.00 0.00 H new ATOM 0 HG22 ILE A 81 3.086 -2.038 5.103 1.00 0.00 H new ATOM 0 HG23 ILE A 81 3.040 -1.491 3.410 1.00 0.00 H new ATOM 0 HD11 ILE A 81 7.007 0.165 2.695 1.00 0.00 H new ATOM 0 HD12 ILE A 81 6.980 -0.208 4.434 1.00 0.00 H new ATOM 0 HD13 ILE A 81 6.307 -1.368 3.265 1.00 0.00 H new ATOM 1194 N GLN A 82 1.218 -0.541 6.048 1.00 0.00 N ATOM 1195 CA GLN A 82 0.425 -1.104 7.135 1.00 0.00 C ATOM 1196 C GLN A 82 0.344 -2.623 7.019 1.00 0.00 C ATOM 1197 O GLN A 82 0.466 -3.339 8.013 1.00 0.00 O ATOM 1198 CB GLN A 82 -0.983 -0.506 7.130 1.00 0.00 C ATOM 1199 CG GLN A 82 -1.000 1.009 7.246 1.00 0.00 C ATOM 1200 CD GLN A 82 -0.962 1.484 8.685 1.00 0.00 C ATOM 1201 OE1 GLN A 82 -1.860 1.189 9.473 1.00 0.00 O ATOM 1202 NE2 GLN A 82 0.084 2.225 9.036 1.00 0.00 N ATOM 0 H GLN A 82 0.860 -0.746 5.115 1.00 0.00 H new ATOM 0 HA GLN A 82 0.915 -0.854 8.076 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -1.489 -0.797 6.210 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -1.553 -0.932 7.956 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -0.145 1.420 6.709 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -1.897 1.397 6.763 1.00 0.00 H new ATOM 0 HE21 GLN A 82 0.806 2.446 8.350 1.00 0.00 H new ATOM 0 HE22 GLN A 82 0.165 2.573 9.991 1.00 0.00 H new ATOM 1211 N PHE A 83 0.139 -3.108 5.798 1.00 0.00 N ATOM 1212 CA PHE A 83 0.043 -4.542 5.551 1.00 0.00 C ATOM 1213 C PHE A 83 1.174 -5.016 4.645 1.00 0.00 C ATOM 1214 O PHE A 83 1.573 -4.316 3.715 1.00 0.00 O ATOM 1215 CB PHE A 83 -1.308 -4.882 4.919 1.00 0.00 C ATOM 1216 CG PHE A 83 -1.621 -6.352 4.927 1.00 0.00 C ATOM 1217 CD1 PHE A 83 -2.235 -6.937 6.023 1.00 0.00 C ATOM 1218 CD2 PHE A 83 -1.301 -7.147 3.839 1.00 0.00 C ATOM 1219 CE1 PHE A 83 -2.524 -8.288 6.032 1.00 0.00 C ATOM 1220 CE2 PHE A 83 -1.588 -8.499 3.843 1.00 0.00 C ATOM 1221 CZ PHE A 83 -2.200 -9.070 4.941 1.00 0.00 C ATOM 0 H PHE A 83 0.036 -2.529 4.965 1.00 0.00 H new ATOM 0 HA PHE A 83 0.129 -5.056 6.508 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -2.094 -4.348 5.453 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -1.320 -4.522 3.890 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -2.490 -6.330 6.879 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -0.822 -6.705 2.978 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -3.003 -8.732 6.892 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -1.334 -9.108 2.988 1.00 0.00 H new ATOM 0 HZ PHE A 83 -2.425 -10.126 4.947 1.00 0.00 H new ATOM 1231 N LEU A 84 1.688 -6.210 4.924 1.00 0.00 N ATOM 1232 CA LEU A 84 2.774 -6.778 4.135 1.00 0.00 C ATOM 1233 C LEU A 84 2.592 -8.283 3.963 1.00 0.00 C ATOM 1234 O LEU A 84 2.896 -9.062 4.865 1.00 0.00 O ATOM 1235 CB LEU A 84 4.122 -6.490 4.799 1.00 0.00 C ATOM 1236 CG LEU A 84 4.624 -5.053 4.647 1.00 0.00 C ATOM 1237 CD1 LEU A 84 5.993 -4.892 5.293 1.00 0.00 C ATOM 1238 CD2 LEU A 84 4.673 -4.660 3.178 1.00 0.00 C ATOM 0 H LEU A 84 1.369 -6.802 5.691 1.00 0.00 H new ATOM 0 HA LEU A 84 2.755 -6.312 3.150 1.00 0.00 H new ATOM 0 HB2 LEU A 84 4.043 -6.721 5.861 1.00 0.00 H new ATOM 0 HB3 LEU A 84 4.868 -7.166 4.380 1.00 0.00 H new ATOM 0 HG LEU A 84 3.927 -4.388 5.157 1.00 0.00 H new ATOM 0 HD11 LEU A 84 6.333 -3.863 5.174 1.00 0.00 H new ATOM 0 HD12 LEU A 84 5.925 -5.131 6.354 1.00 0.00 H new ATOM 0 HD13 LEU A 84 6.703 -5.566 4.814 1.00 0.00 H new ATOM 0 HD21 LEU A 84 5.032 -3.635 3.087 1.00 0.00 H new ATOM 0 HD22 LEU A 84 5.348 -5.329 2.645 1.00 0.00 H new ATOM 0 HD23 LEU A 84 3.674 -4.734 2.748 1.00 0.00 H new ATOM 1250 N GLY A 85 2.094 -8.684 2.798 1.00 0.00 N ATOM 1251 CA GLY A 85 1.879 -10.093 2.530 1.00 0.00 C ATOM 1252 C GLY A 85 1.036 -10.327 1.292 1.00 0.00 C ATOM 1253 O GLY A 85 0.650 -9.379 0.607 1.00 0.00 O ATOM 0 H GLY A 85 1.836 -8.058 2.035 1.00 0.00 H new ATOM 0 HA2 GLY A 85 2.843 -10.587 2.408 1.00 0.00 H new ATOM 0 HA3 GLY A 85 1.391 -10.553 3.390 1.00 0.00 H new ATOM 1257 N GLU A 86 0.749 -11.592 1.003 1.00 0.00 N ATOM 1258 CA GLU A 86 -0.054 -11.948 -0.161 1.00 0.00 C ATOM 1259 C GLU A 86 -1.538 -11.735 0.116 1.00 0.00 C ATOM 1260 O GLU A 86 -2.065 -12.200 1.126 1.00 0.00 O ATOM 1261 CB GLU A 86 0.201 -13.404 -0.556 1.00 0.00 C ATOM 1262 CG GLU A 86 1.487 -13.606 -1.340 1.00 0.00 C ATOM 1263 CD GLU A 86 1.336 -14.621 -2.456 1.00 0.00 C ATOM 1264 OE1 GLU A 86 0.647 -14.311 -3.451 1.00 0.00 O ATOM 1265 OE2 GLU A 86 1.906 -15.725 -2.336 1.00 0.00 O ATOM 0 H GLU A 86 1.061 -12.388 1.559 1.00 0.00 H new ATOM 0 HA GLU A 86 0.239 -11.299 -0.986 1.00 0.00 H new ATOM 0 HB2 GLU A 86 0.235 -14.016 0.346 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -0.638 -13.762 -1.152 1.00 0.00 H new ATOM 0 HG2 GLU A 86 1.805 -12.652 -1.762 1.00 0.00 H new ATOM 0 HG3 GLU A 86 2.275 -13.933 -0.661 1.00 0.00 H new ATOM 1272 N THR A 87 -2.208 -11.028 -0.790 1.00 0.00 N ATOM 1273 CA THR A 87 -3.632 -10.753 -0.643 1.00 0.00 C ATOM 1274 C THR A 87 -4.464 -11.977 -1.013 1.00 0.00 C ATOM 1275 O THR A 87 -3.923 -13.046 -1.296 1.00 0.00 O ATOM 1276 CB THR A 87 -4.034 -9.566 -1.520 1.00 0.00 C ATOM 1277 OG1 THR A 87 -3.789 -9.845 -2.887 1.00 0.00 O ATOM 1278 CG2 THR A 87 -3.298 -8.290 -1.172 1.00 0.00 C ATOM 0 H THR A 87 -1.787 -10.636 -1.632 1.00 0.00 H new ATOM 0 HA THR A 87 -3.824 -10.508 0.402 1.00 0.00 H new ATOM 0 HB THR A 87 -5.097 -9.416 -1.333 1.00 0.00 H new ATOM 0 HG1 THR A 87 -2.959 -9.405 -3.167 1.00 0.00 H new ATOM 0 HG21 THR A 87 -3.629 -7.487 -1.831 1.00 0.00 H new ATOM 0 HG22 THR A 87 -3.508 -8.020 -0.137 1.00 0.00 H new ATOM 0 HG23 THR A 87 -2.226 -8.443 -1.297 1.00 0.00 H new ATOM 1286 N GLN A 88 -5.783 -11.814 -1.011 1.00 0.00 N ATOM 1287 CA GLN A 88 -6.691 -12.905 -1.348 1.00 0.00 C ATOM 1288 C GLN A 88 -7.541 -12.551 -2.563 1.00 0.00 C ATOM 1289 O GLN A 88 -8.665 -13.031 -2.707 1.00 0.00 O ATOM 1290 CB GLN A 88 -7.594 -13.230 -0.156 1.00 0.00 C ATOM 1291 CG GLN A 88 -6.874 -13.943 0.977 1.00 0.00 C ATOM 1292 CD GLN A 88 -6.625 -13.040 2.169 1.00 0.00 C ATOM 1293 OE1 GLN A 88 -7.451 -12.951 3.078 1.00 0.00 O ATOM 1294 NE2 GLN A 88 -5.482 -12.364 2.171 1.00 0.00 N ATOM 0 H GLN A 88 -6.248 -10.936 -0.780 1.00 0.00 H new ATOM 0 HA GLN A 88 -6.091 -13.782 -1.591 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -8.026 -12.304 0.225 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -8.422 -13.851 -0.497 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -7.465 -14.802 1.294 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -5.922 -14.328 0.612 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -4.826 -12.468 1.397 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -5.260 -11.741 2.947 1.00 0.00 H new ATOM 1303 N PHE A 89 -6.996 -11.711 -3.438 1.00 0.00 N ATOM 1304 CA PHE A 89 -7.706 -11.295 -4.642 1.00 0.00 C ATOM 1305 C PHE A 89 -6.733 -11.026 -5.788 1.00 0.00 C ATOM 1306 O PHE A 89 -7.057 -10.305 -6.731 1.00 0.00 O ATOM 1307 CB PHE A 89 -8.538 -10.043 -4.359 1.00 0.00 C ATOM 1308 CG PHE A 89 -7.713 -8.842 -3.995 1.00 0.00 C ATOM 1309 CD1 PHE A 89 -7.304 -8.638 -2.686 1.00 0.00 C ATOM 1310 CD2 PHE A 89 -7.346 -7.919 -4.959 1.00 0.00 C ATOM 1311 CE1 PHE A 89 -6.544 -7.535 -2.348 1.00 0.00 C ATOM 1312 CE2 PHE A 89 -6.586 -6.813 -4.627 1.00 0.00 C ATOM 1313 CZ PHE A 89 -6.185 -6.621 -3.320 1.00 0.00 C ATOM 0 H PHE A 89 -6.066 -11.306 -3.336 1.00 0.00 H new ATOM 0 HA PHE A 89 -8.370 -12.107 -4.940 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -9.137 -9.809 -5.239 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -9.234 -10.255 -3.547 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -7.583 -9.349 -1.922 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -7.657 -8.065 -5.983 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -6.231 -7.387 -1.325 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -6.306 -6.100 -5.389 1.00 0.00 H new ATOM 0 HZ PHE A 89 -5.592 -5.758 -3.058 1.00 0.00 H new ATOM 1323 N ALA A 90 -5.539 -11.608 -5.701 1.00 0.00 N ATOM 1324 CA ALA A 90 -4.524 -11.429 -6.732 1.00 0.00 C ATOM 1325 C ALA A 90 -3.259 -12.220 -6.402 1.00 0.00 C ATOM 1326 O ALA A 90 -2.861 -12.309 -5.240 1.00 0.00 O ATOM 1327 CB ALA A 90 -4.195 -9.953 -6.899 1.00 0.00 C ATOM 0 H ALA A 90 -5.252 -12.207 -4.927 1.00 0.00 H new ATOM 0 HA ALA A 90 -4.926 -11.810 -7.671 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -3.436 -9.835 -7.672 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -5.095 -9.410 -7.188 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -3.818 -9.555 -5.957 1.00 0.00 H new ATOM 1333 N PRO A 91 -2.608 -12.806 -7.421 1.00 0.00 N ATOM 1334 CA PRO A 91 -1.385 -13.590 -7.230 1.00 0.00 C ATOM 1335 C PRO A 91 -0.163 -12.709 -6.987 1.00 0.00 C ATOM 1336 O PRO A 91 0.164 -11.847 -7.802 1.00 0.00 O ATOM 1337 CB PRO A 91 -1.245 -14.344 -8.551 1.00 0.00 C ATOM 1338 CG PRO A 91 -1.888 -13.455 -9.558 1.00 0.00 C ATOM 1339 CD PRO A 91 -3.011 -12.753 -8.841 1.00 0.00 C ATOM 0 HA PRO A 91 -1.445 -14.238 -6.355 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -0.198 -14.527 -8.794 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -1.737 -15.316 -8.508 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -1.172 -12.737 -9.957 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -2.265 -14.032 -10.402 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -3.126 -11.726 -9.186 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -3.965 -13.253 -9.005 1.00 0.00 H new ATOM 1347 N GLY A 92 0.506 -12.931 -5.860 1.00 0.00 N ATOM 1348 CA GLY A 92 1.685 -12.149 -5.531 1.00 0.00 C ATOM 1349 C GLY A 92 1.580 -11.485 -4.173 1.00 0.00 C ATOM 1350 O GLY A 92 0.526 -11.513 -3.539 1.00 0.00 O ATOM 0 H GLY A 92 0.254 -13.638 -5.169 1.00 0.00 H new ATOM 0 HA2 GLY A 92 2.562 -12.795 -5.549 1.00 0.00 H new ATOM 0 HA3 GLY A 92 1.836 -11.386 -6.294 1.00 0.00 H new ATOM 1354 N GLN A 93 2.678 -10.885 -3.724 1.00 0.00 N ATOM 1355 CA GLN A 93 2.707 -10.211 -2.432 1.00 0.00 C ATOM 1356 C GLN A 93 2.468 -8.713 -2.593 1.00 0.00 C ATOM 1357 O GLN A 93 3.162 -8.041 -3.356 1.00 0.00 O ATOM 1358 CB GLN A 93 4.050 -10.452 -1.737 1.00 0.00 C ATOM 1359 CG GLN A 93 4.038 -11.637 -0.786 1.00 0.00 C ATOM 1360 CD GLN A 93 5.260 -11.679 0.109 1.00 0.00 C ATOM 1361 OE1 GLN A 93 6.178 -12.471 -0.109 1.00 0.00 O ATOM 1362 NE2 GLN A 93 5.278 -10.825 1.126 1.00 0.00 N ATOM 0 H GLN A 93 3.559 -10.852 -4.236 1.00 0.00 H new ATOM 0 HA GLN A 93 1.907 -10.625 -1.818 1.00 0.00 H new ATOM 0 HB2 GLN A 93 4.818 -10.612 -2.494 1.00 0.00 H new ATOM 0 HB3 GLN A 93 4.330 -9.555 -1.184 1.00 0.00 H new ATOM 0 HG2 GLN A 93 3.141 -11.593 -0.168 1.00 0.00 H new ATOM 0 HG3 GLN A 93 3.983 -12.560 -1.363 1.00 0.00 H new ATOM 0 HE21 GLN A 93 4.496 -10.186 1.269 1.00 0.00 H new ATOM 0 HE22 GLN A 93 6.074 -10.808 1.764 1.00 0.00 H new ATOM 1371 N TRP A 94 1.480 -8.196 -1.870 1.00 0.00 N ATOM 1372 CA TRP A 94 1.149 -6.777 -1.932 1.00 0.00 C ATOM 1373 C TRP A 94 1.619 -6.054 -0.674 1.00 0.00 C ATOM 1374 O TRP A 94 2.040 -6.685 0.296 1.00 0.00 O ATOM 1375 CB TRP A 94 -0.359 -6.590 -2.106 1.00 0.00 C ATOM 1376 CG TRP A 94 -0.876 -7.105 -3.414 1.00 0.00 C ATOM 1377 CD1 TRP A 94 -1.095 -8.410 -3.754 1.00 0.00 C ATOM 1378 CD2 TRP A 94 -1.239 -6.326 -4.561 1.00 0.00 C ATOM 1379 NE1 TRP A 94 -1.572 -8.489 -5.039 1.00 0.00 N ATOM 1380 CE2 TRP A 94 -1.669 -7.224 -5.555 1.00 0.00 C ATOM 1381 CE3 TRP A 94 -1.244 -4.957 -4.840 1.00 0.00 C ATOM 1382 CZ2 TRP A 94 -2.099 -6.795 -6.809 1.00 0.00 C ATOM 1383 CZ3 TRP A 94 -1.671 -4.533 -6.086 1.00 0.00 C ATOM 1384 CH2 TRP A 94 -2.094 -5.450 -7.056 1.00 0.00 C ATOM 0 H TRP A 94 0.895 -8.738 -1.235 1.00 0.00 H new ATOM 0 HA TRP A 94 1.663 -6.347 -2.792 1.00 0.00 H new ATOM 0 HB2 TRP A 94 -0.877 -7.099 -1.293 1.00 0.00 H new ATOM 0 HB3 TRP A 94 -0.598 -5.530 -2.021 1.00 0.00 H new ATOM 0 HD1 TRP A 94 -0.919 -9.256 -3.106 1.00 0.00 H new ATOM 0 HE1 TRP A 94 -1.815 -9.350 -5.530 1.00 0.00 H new ATOM 0 HE3 TRP A 94 -0.921 -4.243 -4.097 1.00 0.00 H new ATOM 0 HZ2 TRP A 94 -2.425 -7.500 -7.560 1.00 0.00 H new ATOM 0 HZ3 TRP A 94 -1.678 -3.477 -6.314 1.00 0.00 H new ATOM 0 HH2 TRP A 94 -2.423 -5.088 -8.019 1.00 0.00 H new ATOM 1395 N ALA A 95 1.546 -4.727 -0.697 1.00 0.00 N ATOM 1396 CA ALA A 95 1.963 -3.919 0.442 1.00 0.00 C ATOM 1397 C ALA A 95 1.049 -2.713 0.623 1.00 0.00 C ATOM 1398 O ALA A 95 1.133 -1.739 -0.124 1.00 0.00 O ATOM 1399 CB ALA A 95 3.406 -3.468 0.267 1.00 0.00 C ATOM 0 H ALA A 95 1.202 -4.189 -1.492 1.00 0.00 H new ATOM 0 HA ALA A 95 1.891 -4.534 1.339 1.00 0.00 H new ATOM 0 HB1 ALA A 95 3.705 -2.865 1.124 1.00 0.00 H new ATOM 0 HB2 ALA A 95 4.054 -4.342 0.194 1.00 0.00 H new ATOM 0 HB3 ALA A 95 3.494 -2.874 -0.643 1.00 0.00 H new ATOM 1405 N GLY A 96 0.175 -2.786 1.622 1.00 0.00 N ATOM 1406 CA GLY A 96 -0.744 -1.693 1.885 1.00 0.00 C ATOM 1407 C GLY A 96 -0.046 -0.471 2.447 1.00 0.00 C ATOM 1408 O GLY A 96 0.632 -0.552 3.471 1.00 0.00 O ATOM 0 H GLY A 96 0.087 -3.582 2.254 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -1.256 -1.423 0.961 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -1.508 -2.026 2.587 1.00 0.00 H new ATOM 1412 N ILE A 97 -0.212 0.665 1.777 1.00 0.00 N ATOM 1413 CA ILE A 97 0.407 1.909 2.215 1.00 0.00 C ATOM 1414 C ILE A 97 -0.628 3.022 2.344 1.00 0.00 C ATOM 1415 O ILE A 97 -1.474 3.199 1.468 1.00 0.00 O ATOM 1416 CB ILE A 97 1.513 2.363 1.241 1.00 0.00 C ATOM 1417 CG1 ILE A 97 2.483 1.211 0.961 1.00 0.00 C ATOM 1418 CG2 ILE A 97 2.257 3.564 1.806 1.00 0.00 C ATOM 1419 CD1 ILE A 97 2.837 1.064 -0.503 1.00 0.00 C ATOM 0 H ILE A 97 -0.771 0.749 0.928 1.00 0.00 H new ATOM 0 HA ILE A 97 0.852 1.713 3.191 1.00 0.00 H new ATOM 0 HB ILE A 97 1.048 2.658 0.300 1.00 0.00 H new ATOM 0 HG12 ILE A 97 3.397 1.368 1.534 1.00 0.00 H new ATOM 0 HG13 ILE A 97 2.041 0.280 1.315 1.00 0.00 H new ATOM 0 HG21 ILE A 97 3.034 3.872 1.107 1.00 0.00 H new ATOM 0 HG22 ILE A 97 1.558 4.387 1.958 1.00 0.00 H new ATOM 0 HG23 ILE A 97 2.712 3.295 2.759 1.00 0.00 H new ATOM 0 HD11 ILE A 97 3.527 0.230 -0.628 1.00 0.00 H new ATOM 0 HD12 ILE A 97 1.931 0.875 -1.079 1.00 0.00 H new ATOM 0 HD13 ILE A 97 3.308 1.981 -0.857 1.00 0.00 H new ATOM 1431 N VAL A 98 -0.555 3.766 3.442 1.00 0.00 N ATOM 1432 CA VAL A 98 -1.486 4.862 3.685 1.00 0.00 C ATOM 1433 C VAL A 98 -0.889 6.195 3.248 1.00 0.00 C ATOM 1434 O VAL A 98 -0.023 6.750 3.923 1.00 0.00 O ATOM 1435 CB VAL A 98 -1.876 4.948 5.173 1.00 0.00 C ATOM 1436 CG1 VAL A 98 -2.959 5.996 5.382 1.00 0.00 C ATOM 1437 CG2 VAL A 98 -2.333 3.591 5.687 1.00 0.00 C ATOM 0 H VAL A 98 0.139 3.630 4.177 1.00 0.00 H new ATOM 0 HA VAL A 98 -2.379 4.656 3.095 1.00 0.00 H new ATOM 0 HB VAL A 98 -0.996 5.248 5.742 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -3.221 6.042 6.439 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -2.591 6.969 5.056 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -3.841 5.728 4.801 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -2.604 3.673 6.740 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -3.199 3.258 5.114 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -1.524 2.869 5.576 1.00 0.00 H new ATOM 1447 N LEU A 99 -1.358 6.704 2.113 1.00 0.00 N ATOM 1448 CA LEU A 99 -0.871 7.972 1.585 1.00 0.00 C ATOM 1449 C LEU A 99 -1.290 9.134 2.480 1.00 0.00 C ATOM 1450 O LEU A 99 -2.285 9.047 3.200 1.00 0.00 O ATOM 1451 CB LEU A 99 -1.397 8.192 0.165 1.00 0.00 C ATOM 1452 CG LEU A 99 -1.081 7.070 -0.824 1.00 0.00 C ATOM 1453 CD1 LEU A 99 -1.867 7.257 -2.113 1.00 0.00 C ATOM 1454 CD2 LEU A 99 0.411 7.018 -1.112 1.00 0.00 C ATOM 0 H LEU A 99 -2.075 6.257 1.542 1.00 0.00 H new ATOM 0 HA LEU A 99 0.218 7.931 1.561 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -2.478 8.321 0.211 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -0.981 9.123 -0.220 1.00 0.00 H new ATOM 0 HG LEU A 99 -1.378 6.122 -0.375 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -1.629 6.449 -2.805 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -2.935 7.244 -1.893 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -1.601 8.212 -2.566 1.00 0.00 H new ATOM 0 HD21 LEU A 99 0.617 6.213 -1.818 1.00 0.00 H new ATOM 0 HD22 LEU A 99 0.732 7.968 -1.540 1.00 0.00 H new ATOM 0 HD23 LEU A 99 0.954 6.836 -0.185 1.00 0.00 H new ATOM 1466 N ASP A 100 -0.526 10.218 2.430 1.00 0.00 N ATOM 1467 CA ASP A 100 -0.818 11.398 3.237 1.00 0.00 C ATOM 1468 C ASP A 100 -1.500 12.474 2.399 1.00 0.00 C ATOM 1469 O ASP A 100 -1.295 13.667 2.617 1.00 0.00 O ATOM 1470 CB ASP A 100 0.468 11.952 3.853 1.00 0.00 C ATOM 1471 CG ASP A 100 1.183 10.932 4.715 1.00 0.00 C ATOM 1472 OD1 ASP A 100 0.543 10.375 5.631 1.00 0.00 O ATOM 1473 OD2 ASP A 100 2.385 10.689 4.474 1.00 0.00 O ATOM 0 H ASP A 100 0.301 10.305 1.839 1.00 0.00 H new ATOM 0 HA ASP A 100 -1.496 11.102 4.037 1.00 0.00 H new ATOM 0 HB2 ASP A 100 1.135 12.283 3.057 1.00 0.00 H new ATOM 0 HB3 ASP A 100 0.231 12.829 4.455 1.00 0.00 H new ATOM 1478 N GLU A 101 -2.311 12.044 1.439 1.00 0.00 N ATOM 1479 CA GLU A 101 -3.023 12.970 0.566 1.00 0.00 C ATOM 1480 C GLU A 101 -4.124 12.251 -0.210 1.00 0.00 C ATOM 1481 O GLU A 101 -4.034 11.049 -0.459 1.00 0.00 O ATOM 1482 CB GLU A 101 -2.047 13.641 -0.404 1.00 0.00 C ATOM 1483 CG GLU A 101 -2.006 15.155 -0.274 1.00 0.00 C ATOM 1484 CD GLU A 101 -2.045 15.858 -1.617 1.00 0.00 C ATOM 1485 OE1 GLU A 101 -2.714 15.343 -2.536 1.00 0.00 O ATOM 1486 OE2 GLU A 101 -1.406 16.923 -1.749 1.00 0.00 O ATOM 0 H GLU A 101 -2.492 11.059 1.245 1.00 0.00 H new ATOM 0 HA GLU A 101 -3.487 13.735 1.189 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -1.047 13.243 -0.234 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -2.325 13.380 -1.425 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -2.850 15.487 0.330 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -1.100 15.446 0.258 1.00 0.00 H new ATOM 1493 N PRO A 102 -5.181 12.981 -0.605 1.00 0.00 N ATOM 1494 CA PRO A 102 -6.301 12.406 -1.357 1.00 0.00 C ATOM 1495 C PRO A 102 -5.933 12.102 -2.807 1.00 0.00 C ATOM 1496 O PRO A 102 -6.530 12.645 -3.736 1.00 0.00 O ATOM 1497 CB PRO A 102 -7.365 13.502 -1.292 1.00 0.00 C ATOM 1498 CG PRO A 102 -6.592 14.767 -1.153 1.00 0.00 C ATOM 1499 CD PRO A 102 -5.367 14.422 -0.349 1.00 0.00 C ATOM 0 HA PRO A 102 -6.625 11.451 -0.943 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -7.981 13.510 -2.191 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -8.037 13.353 -0.447 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -6.318 15.165 -2.130 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -7.184 15.532 -0.652 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -4.501 15.001 -0.669 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -5.513 14.626 0.712 1.00 0.00 H new ATOM 1507 N ILE A 103 -4.944 11.233 -2.991 1.00 0.00 N ATOM 1508 CA ILE A 103 -4.496 10.858 -4.327 1.00 0.00 C ATOM 1509 C ILE A 103 -4.787 9.388 -4.614 1.00 0.00 C ATOM 1510 O ILE A 103 -5.008 9.003 -5.762 1.00 0.00 O ATOM 1511 CB ILE A 103 -2.988 11.113 -4.505 1.00 0.00 C ATOM 1512 CG1 ILE A 103 -2.197 10.450 -3.377 1.00 0.00 C ATOM 1513 CG2 ILE A 103 -2.707 12.608 -4.550 1.00 0.00 C ATOM 1514 CD1 ILE A 103 -0.765 10.136 -3.747 1.00 0.00 C ATOM 0 H ILE A 103 -4.438 10.776 -2.232 1.00 0.00 H new ATOM 0 HA ILE A 103 -5.049 11.479 -5.031 1.00 0.00 H new ATOM 0 HB ILE A 103 -2.670 10.673 -5.450 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -2.203 11.105 -2.506 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -2.699 9.527 -3.086 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -1.637 12.773 -4.676 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -3.244 13.054 -5.387 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -3.038 13.069 -3.619 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -0.265 9.667 -2.900 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -0.750 9.456 -4.599 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -0.247 11.058 -4.010 1.00 0.00 H new ATOM 1526 N GLY A 104 -4.786 8.571 -3.564 1.00 0.00 N ATOM 1527 CA GLY A 104 -5.050 7.154 -3.727 1.00 0.00 C ATOM 1528 C GLY A 104 -6.434 6.881 -4.283 1.00 0.00 C ATOM 1529 O GLY A 104 -6.984 7.695 -5.026 1.00 0.00 O ATOM 0 H GLY A 104 -4.607 8.866 -2.604 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -4.303 6.723 -4.393 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -4.944 6.655 -2.764 1.00 0.00 H new ATOM 1533 N LYS A 105 -6.999 5.732 -3.923 1.00 0.00 N ATOM 1534 CA LYS A 105 -8.326 5.354 -4.392 1.00 0.00 C ATOM 1535 C LYS A 105 -8.972 4.349 -3.445 1.00 0.00 C ATOM 1536 O LYS A 105 -10.141 4.485 -3.082 1.00 0.00 O ATOM 1537 CB LYS A 105 -8.244 4.763 -5.800 1.00 0.00 C ATOM 1538 CG LYS A 105 -7.142 3.727 -5.961 1.00 0.00 C ATOM 1539 CD LYS A 105 -7.033 3.249 -7.401 1.00 0.00 C ATOM 1540 CE LYS A 105 -8.183 2.324 -7.771 1.00 0.00 C ATOM 1541 NZ LYS A 105 -9.165 2.991 -8.668 1.00 0.00 N ATOM 0 H LYS A 105 -6.558 5.048 -3.308 1.00 0.00 H new ATOM 0 HA LYS A 105 -8.943 6.252 -4.417 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -9.201 4.305 -6.049 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -8.081 5.569 -6.515 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -6.190 4.154 -5.645 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -7.342 2.877 -5.308 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -7.026 4.109 -8.071 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -6.086 2.728 -7.542 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -7.789 1.434 -8.262 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -8.688 1.991 -6.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -9.933 2.328 -8.897 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -9.560 3.826 -8.190 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -8.690 3.286 -9.545 1.00 0.00 H new ATOM 1555 N ASN A 106 -8.205 3.340 -3.046 1.00 0.00 N ATOM 1556 CA ASN A 106 -8.703 2.311 -2.142 1.00 0.00 C ATOM 1557 C ASN A 106 -8.779 2.836 -0.711 1.00 0.00 C ATOM 1558 O ASN A 106 -8.281 3.921 -0.411 1.00 0.00 O ATOM 1559 CB ASN A 106 -7.804 1.075 -2.197 1.00 0.00 C ATOM 1560 CG ASN A 106 -7.805 0.420 -3.565 1.00 0.00 C ATOM 1561 OD1 ASN A 106 -8.680 -0.388 -3.879 1.00 0.00 O ATOM 1562 ND2 ASN A 106 -6.822 0.767 -4.388 1.00 0.00 N ATOM 0 H ASN A 106 -7.235 3.213 -3.335 1.00 0.00 H new ATOM 0 HA ASN A 106 -9.707 2.035 -2.463 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -6.785 1.358 -1.933 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -8.137 0.353 -1.451 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -6.771 0.360 -5.322 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -6.118 1.441 -4.086 1.00 0.00 H new ATOM 1569 N ASP A 107 -9.406 2.059 0.166 1.00 0.00 N ATOM 1570 CA ASP A 107 -9.548 2.447 1.566 1.00 0.00 C ATOM 1571 C ASP A 107 -9.074 1.330 2.490 1.00 0.00 C ATOM 1572 O ASP A 107 -9.604 1.152 3.588 1.00 0.00 O ATOM 1573 CB ASP A 107 -11.005 2.796 1.874 1.00 0.00 C ATOM 1574 CG ASP A 107 -11.472 4.034 1.134 1.00 0.00 C ATOM 1575 OD1 ASP A 107 -11.038 4.235 -0.020 1.00 0.00 O ATOM 1576 OD2 ASP A 107 -12.272 4.803 1.707 1.00 0.00 O ATOM 0 H ASP A 107 -9.824 1.158 -0.067 1.00 0.00 H new ATOM 0 HA ASP A 107 -8.927 3.326 1.739 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -11.642 1.953 1.605 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -11.119 2.953 2.947 1.00 0.00 H new ATOM 1581 N GLY A 108 -8.073 0.581 2.041 1.00 0.00 N ATOM 1582 CA GLY A 108 -7.545 -0.509 2.841 1.00 0.00 C ATOM 1583 C GLY A 108 -8.547 -1.633 3.025 1.00 0.00 C ATOM 1584 O GLY A 108 -8.682 -2.179 4.120 1.00 0.00 O ATOM 0 H GLY A 108 -7.618 0.709 1.137 1.00 0.00 H new ATOM 0 HA2 GLY A 108 -6.646 -0.902 2.366 1.00 0.00 H new ATOM 0 HA3 GLY A 108 -7.248 -0.128 3.818 1.00 0.00 H new ATOM 1588 N SER A 109 -9.250 -1.977 1.952 1.00 0.00 N ATOM 1589 CA SER A 109 -10.245 -3.043 1.998 1.00 0.00 C ATOM 1590 C SER A 109 -10.505 -3.606 0.606 1.00 0.00 C ATOM 1591 O SER A 109 -10.773 -2.860 -0.336 1.00 0.00 O ATOM 1592 CB SER A 109 -11.551 -2.523 2.603 1.00 0.00 C ATOM 1593 OG SER A 109 -12.197 -3.529 3.365 1.00 0.00 O ATOM 0 H SER A 109 -9.150 -1.533 1.039 1.00 0.00 H new ATOM 0 HA SER A 109 -9.854 -3.844 2.626 1.00 0.00 H new ATOM 0 HB2 SER A 109 -11.344 -1.660 3.236 1.00 0.00 H new ATOM 0 HB3 SER A 109 -12.214 -2.183 1.807 1.00 0.00 H new ATOM 0 HG SER A 109 -13.028 -3.171 3.742 1.00 0.00 H new ATOM 1599 N VAL A 110 -10.422 -4.926 0.481 1.00 0.00 N ATOM 1600 CA VAL A 110 -10.648 -5.588 -0.798 1.00 0.00 C ATOM 1601 C VAL A 110 -11.514 -6.831 -0.628 1.00 0.00 C ATOM 1602 O VAL A 110 -11.146 -7.764 0.087 1.00 0.00 O ATOM 1603 CB VAL A 110 -9.318 -5.990 -1.465 1.00 0.00 C ATOM 1604 CG1 VAL A 110 -9.560 -6.500 -2.877 1.00 0.00 C ATOM 1605 CG2 VAL A 110 -8.350 -4.817 -1.472 1.00 0.00 C ATOM 0 H VAL A 110 -10.200 -5.558 1.250 1.00 0.00 H new ATOM 0 HA VAL A 110 -11.165 -4.873 -1.437 1.00 0.00 H new ATOM 0 HB VAL A 110 -8.871 -6.797 -0.885 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -8.609 -6.779 -3.331 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -10.215 -7.371 -2.842 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -10.030 -5.716 -3.471 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -7.416 -5.119 -1.947 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -8.788 -3.987 -2.027 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -8.151 -4.503 -0.447 1.00 0.00 H new ATOM 1615 N ALA A 111 -12.667 -6.838 -1.289 1.00 0.00 N ATOM 1616 CA ALA A 111 -13.586 -7.967 -1.212 1.00 0.00 C ATOM 1617 C ALA A 111 -14.024 -8.219 0.228 1.00 0.00 C ATOM 1618 O ALA A 111 -13.935 -9.341 0.729 1.00 0.00 O ATOM 1619 CB ALA A 111 -12.940 -9.214 -1.797 1.00 0.00 C ATOM 0 H ALA A 111 -12.987 -6.074 -1.884 1.00 0.00 H new ATOM 0 HA ALA A 111 -14.473 -7.724 -1.797 1.00 0.00 H new ATOM 0 HB1 ALA A 111 -13.637 -10.049 -1.733 1.00 0.00 H new ATOM 0 HB2 ALA A 111 -12.683 -9.035 -2.841 1.00 0.00 H new ATOM 0 HB3 ALA A 111 -12.036 -9.452 -1.237 1.00 0.00 H new ATOM 1625 N GLY A 112 -14.499 -7.168 0.888 1.00 0.00 N ATOM 1626 CA GLY A 112 -14.944 -7.296 2.264 1.00 0.00 C ATOM 1627 C GLY A 112 -13.843 -7.781 3.187 1.00 0.00 C ATOM 1628 O GLY A 112 -14.114 -8.413 4.208 1.00 0.00 O ATOM 0 H GLY A 112 -14.584 -6.230 0.495 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -15.310 -6.331 2.616 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -15.783 -7.990 2.308 1.00 0.00 H new ATOM 1632 N VAL A 113 -12.598 -7.483 2.829 1.00 0.00 N ATOM 1633 CA VAL A 113 -11.453 -7.894 3.631 1.00 0.00 C ATOM 1634 C VAL A 113 -10.596 -6.693 4.020 1.00 0.00 C ATOM 1635 O VAL A 113 -9.863 -6.148 3.194 1.00 0.00 O ATOM 1636 CB VAL A 113 -10.576 -8.914 2.881 1.00 0.00 C ATOM 1637 CG1 VAL A 113 -9.504 -9.478 3.801 1.00 0.00 C ATOM 1638 CG2 VAL A 113 -11.433 -10.030 2.298 1.00 0.00 C ATOM 0 H VAL A 113 -12.357 -6.958 1.988 1.00 0.00 H new ATOM 0 HA VAL A 113 -11.850 -8.362 4.531 1.00 0.00 H new ATOM 0 HB VAL A 113 -10.079 -8.401 2.057 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -8.895 -10.197 3.252 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -8.871 -8.667 4.162 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -9.976 -9.975 4.648 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -10.796 -10.741 1.772 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -11.960 -10.542 3.103 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -12.157 -9.607 1.601 1.00 0.00 H new ATOM 1648 N ARG A 114 -10.697 -6.285 5.280 1.00 0.00 N ATOM 1649 CA ARG A 114 -9.932 -5.147 5.778 1.00 0.00 C ATOM 1650 C ARG A 114 -8.515 -5.568 6.158 1.00 0.00 C ATOM 1651 O ARG A 114 -8.312 -6.291 7.133 1.00 0.00 O ATOM 1652 CB ARG A 114 -10.635 -4.524 6.986 1.00 0.00 C ATOM 1653 CG ARG A 114 -10.627 -3.004 6.978 1.00 0.00 C ATOM 1654 CD ARG A 114 -11.788 -2.443 6.173 1.00 0.00 C ATOM 1655 NE ARG A 114 -12.450 -1.338 6.862 1.00 0.00 N ATOM 1656 CZ ARG A 114 -13.327 -1.499 7.851 1.00 0.00 C ATOM 1657 NH1 ARG A 114 -13.650 -2.717 8.268 1.00 0.00 N ATOM 1658 NH2 ARG A 114 -13.881 -0.439 8.423 1.00 0.00 N ATOM 0 H ARG A 114 -11.300 -6.725 5.975 1.00 0.00 H new ATOM 0 HA ARG A 114 -9.869 -4.406 4.981 1.00 0.00 H new ATOM 0 HB2 ARG A 114 -11.667 -4.873 7.015 1.00 0.00 H new ATOM 0 HB3 ARG A 114 -10.153 -4.877 7.898 1.00 0.00 H new ATOM 0 HG2 ARG A 114 -10.681 -2.634 8.002 1.00 0.00 H new ATOM 0 HG3 ARG A 114 -9.686 -2.647 6.559 1.00 0.00 H new ATOM 0 HD2 ARG A 114 -11.425 -2.100 5.204 1.00 0.00 H new ATOM 0 HD3 ARG A 114 -12.511 -3.235 5.980 1.00 0.00 H new ATOM 0 HE ARG A 114 -12.227 -0.387 6.568 1.00 0.00 H new ATOM 0 HH11 ARG A 114 -13.226 -3.535 7.831 1.00 0.00 H new ATOM 0 HH12 ARG A 114 -14.322 -2.835 9.026 1.00 0.00 H new ATOM 0 HH21 ARG A 114 -13.635 0.499 8.105 1.00 0.00 H new ATOM 0 HH22 ARG A 114 -14.553 -0.561 9.181 1.00 0.00 H new ATOM 1672 N TYR A 115 -7.539 -5.109 5.381 1.00 0.00 N ATOM 1673 CA TYR A 115 -6.141 -5.437 5.636 1.00 0.00 C ATOM 1674 C TYR A 115 -5.514 -4.438 6.602 1.00 0.00 C ATOM 1675 O TYR A 115 -4.690 -4.802 7.441 1.00 0.00 O ATOM 1676 CB TYR A 115 -5.354 -5.459 4.326 1.00 0.00 C ATOM 1677 CG TYR A 115 -5.853 -6.487 3.335 1.00 0.00 C ATOM 1678 CD1 TYR A 115 -7.042 -6.291 2.643 1.00 0.00 C ATOM 1679 CD2 TYR A 115 -5.138 -7.652 3.093 1.00 0.00 C ATOM 1680 CE1 TYR A 115 -7.503 -7.227 1.737 1.00 0.00 C ATOM 1681 CE2 TYR A 115 -5.591 -8.593 2.187 1.00 0.00 C ATOM 1682 CZ TYR A 115 -6.774 -8.376 1.513 1.00 0.00 C ATOM 1683 OH TYR A 115 -7.229 -9.311 0.611 1.00 0.00 O ATOM 0 H TYR A 115 -7.690 -4.509 4.570 1.00 0.00 H new ATOM 0 HA TYR A 115 -6.104 -6.427 6.091 1.00 0.00 H new ATOM 0 HB2 TYR A 115 -5.402 -4.472 3.867 1.00 0.00 H new ATOM 0 HB3 TYR A 115 -4.305 -5.658 4.546 1.00 0.00 H new ATOM 0 HD1 TYR A 115 -7.615 -5.392 2.816 1.00 0.00 H new ATOM 0 HD2 TYR A 115 -4.212 -7.826 3.621 1.00 0.00 H new ATOM 0 HE1 TYR A 115 -8.429 -7.060 1.207 1.00 0.00 H new ATOM 0 HE2 TYR A 115 -5.021 -9.493 2.008 1.00 0.00 H new ATOM 0 HH TYR A 115 -7.142 -8.957 -0.299 1.00 0.00 H new ATOM 1693 N PHE A 116 -5.908 -3.174 6.477 1.00 0.00 N ATOM 1694 CA PHE A 116 -5.386 -2.121 7.340 1.00 0.00 C ATOM 1695 C PHE A 116 -6.300 -0.900 7.323 1.00 0.00 C ATOM 1696 O PHE A 116 -6.518 -0.290 6.277 1.00 0.00 O ATOM 1697 CB PHE A 116 -3.976 -1.724 6.896 1.00 0.00 C ATOM 1698 CG PHE A 116 -3.921 -1.160 5.509 1.00 0.00 C ATOM 1699 CD1 PHE A 116 -3.950 -1.999 4.409 1.00 0.00 C ATOM 1700 CD2 PHE A 116 -3.836 0.207 5.306 1.00 0.00 C ATOM 1701 CE1 PHE A 116 -3.894 -1.486 3.130 1.00 0.00 C ATOM 1702 CE2 PHE A 116 -3.780 0.727 4.029 1.00 0.00 C ATOM 1703 CZ PHE A 116 -3.809 -0.122 2.940 1.00 0.00 C ATOM 0 H PHE A 116 -6.587 -2.855 5.786 1.00 0.00 H new ATOM 0 HA PHE A 116 -5.345 -2.506 8.359 1.00 0.00 H new ATOM 0 HB2 PHE A 116 -3.578 -0.988 7.595 1.00 0.00 H new ATOM 0 HB3 PHE A 116 -3.327 -2.598 6.950 1.00 0.00 H new ATOM 0 HD1 PHE A 116 -4.017 -3.067 4.554 1.00 0.00 H new ATOM 0 HD2 PHE A 116 -3.813 0.873 6.156 1.00 0.00 H new ATOM 0 HE1 PHE A 116 -3.917 -2.151 2.279 1.00 0.00 H new ATOM 0 HE2 PHE A 116 -3.714 1.795 3.882 1.00 0.00 H new ATOM 0 HZ PHE A 116 -3.765 0.282 1.939 1.00 0.00 H new ATOM 1713 N GLN A 117 -6.831 -0.550 8.490 1.00 0.00 N ATOM 1714 CA GLN A 117 -7.722 0.598 8.610 1.00 0.00 C ATOM 1715 C GLN A 117 -7.015 1.881 8.188 1.00 0.00 C ATOM 1716 O GLN A 117 -5.902 2.163 8.631 1.00 0.00 O ATOM 1717 CB GLN A 117 -8.228 0.729 10.048 1.00 0.00 C ATOM 1718 CG GLN A 117 -9.654 1.247 10.146 1.00 0.00 C ATOM 1719 CD GLN A 117 -9.849 2.558 9.410 1.00 0.00 C ATOM 1720 OE1 GLN A 117 -9.062 3.493 9.562 1.00 0.00 O ATOM 1721 NE2 GLN A 117 -10.903 2.634 8.605 1.00 0.00 N ATOM 0 H GLN A 117 -6.660 -1.045 9.365 1.00 0.00 H new ATOM 0 HA GLN A 117 -8.572 0.438 7.947 1.00 0.00 H new ATOM 0 HB2 GLN A 117 -8.170 -0.244 10.535 1.00 0.00 H new ATOM 0 HB3 GLN A 117 -7.568 1.400 10.597 1.00 0.00 H new ATOM 0 HG2 GLN A 117 -10.337 0.501 9.739 1.00 0.00 H new ATOM 0 HG3 GLN A 117 -9.917 1.381 11.195 1.00 0.00 H new ATOM 0 HE21 GLN A 117 -11.530 1.835 8.509 1.00 0.00 H new ATOM 0 HE22 GLN A 117 -11.086 3.491 8.083 1.00 0.00 H new ATOM 1730 N CYS A 118 -7.669 2.655 7.328 1.00 0.00 N ATOM 1731 CA CYS A 118 -7.103 3.910 6.845 1.00 0.00 C ATOM 1732 C CYS A 118 -8.199 4.847 6.350 1.00 0.00 C ATOM 1733 O CYS A 118 -9.382 4.510 6.388 1.00 0.00 O ATOM 1734 CB CYS A 118 -6.099 3.642 5.722 1.00 0.00 C ATOM 1735 SG CYS A 118 -6.804 2.794 4.290 1.00 0.00 S ATOM 0 H CYS A 118 -8.591 2.436 6.951 1.00 0.00 H new ATOM 0 HA CYS A 118 -6.588 4.391 7.677 1.00 0.00 H new ATOM 0 HB2 CYS A 118 -5.673 4.591 5.396 1.00 0.00 H new ATOM 0 HB3 CYS A 118 -5.278 3.044 6.118 1.00 0.00 H new ATOM 0 HG CYS A 118 -5.964 1.901 3.857 1.00 0.00 H new ATOM 1741 N GLU A 119 -7.798 6.026 5.885 1.00 0.00 N ATOM 1742 CA GLU A 119 -8.746 7.013 5.381 1.00 0.00 C ATOM 1743 C GLU A 119 -8.890 6.905 3.865 1.00 0.00 C ATOM 1744 O GLU A 119 -7.968 6.467 3.175 1.00 0.00 O ATOM 1745 CB GLU A 119 -8.298 8.424 5.764 1.00 0.00 C ATOM 1746 CG GLU A 119 -8.753 8.851 7.150 1.00 0.00 C ATOM 1747 CD GLU A 119 -8.290 10.249 7.511 1.00 0.00 C ATOM 1748 OE1 GLU A 119 -8.120 11.075 6.590 1.00 0.00 O ATOM 1749 OE2 GLU A 119 -8.097 10.518 8.716 1.00 0.00 O ATOM 0 H GLU A 119 -6.822 6.321 5.847 1.00 0.00 H new ATOM 0 HA GLU A 119 -9.717 6.813 5.835 1.00 0.00 H new ATOM 0 HB2 GLU A 119 -7.210 8.477 5.715 1.00 0.00 H new ATOM 0 HB3 GLU A 119 -8.685 9.131 5.030 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -9.841 8.808 7.200 1.00 0.00 H new ATOM 0 HG3 GLU A 119 -8.372 8.144 7.887 1.00 0.00 H new ATOM 1756 N PRO A 120 -10.054 7.304 3.325 1.00 0.00 N ATOM 1757 CA PRO A 120 -10.316 7.250 1.882 1.00 0.00 C ATOM 1758 C PRO A 120 -9.280 8.025 1.075 1.00 0.00 C ATOM 1759 O PRO A 120 -8.760 9.043 1.530 1.00 0.00 O ATOM 1760 CB PRO A 120 -11.697 7.897 1.741 1.00 0.00 C ATOM 1761 CG PRO A 120 -12.327 7.751 3.082 1.00 0.00 C ATOM 1762 CD PRO A 120 -11.205 7.837 4.074 1.00 0.00 C ATOM 0 HA PRO A 120 -10.270 6.230 1.500 1.00 0.00 H new ATOM 0 HB2 PRO A 120 -11.615 8.946 1.455 1.00 0.00 H new ATOM 0 HB3 PRO A 120 -12.288 7.402 0.971 1.00 0.00 H new ATOM 0 HG2 PRO A 120 -13.063 8.536 3.256 1.00 0.00 H new ATOM 0 HG3 PRO A 120 -12.851 6.799 3.166 1.00 0.00 H new ATOM 0 HD2 PRO A 120 -11.033 8.863 4.400 1.00 0.00 H new ATOM 0 HD3 PRO A 120 -11.412 7.249 4.968 1.00 0.00 H new ATOM 1770 N LEU A 121 -8.987 7.536 -0.125 1.00 0.00 N ATOM 1771 CA LEU A 121 -8.014 8.182 -0.998 1.00 0.00 C ATOM 1772 C LEU A 121 -6.641 8.239 -0.338 1.00 0.00 C ATOM 1773 O LEU A 121 -5.859 9.158 -0.587 1.00 0.00 O ATOM 1774 CB LEU A 121 -8.479 9.595 -1.358 1.00 0.00 C ATOM 1775 CG LEU A 121 -9.947 9.709 -1.769 1.00 0.00 C ATOM 1776 CD1 LEU A 121 -10.473 11.108 -1.489 1.00 0.00 C ATOM 1777 CD2 LEU A 121 -10.118 9.357 -3.239 1.00 0.00 C ATOM 0 H LEU A 121 -9.410 6.694 -0.516 1.00 0.00 H new ATOM 0 HA LEU A 121 -7.933 7.590 -1.909 1.00 0.00 H new ATOM 0 HB2 LEU A 121 -8.306 10.247 -0.502 1.00 0.00 H new ATOM 0 HB3 LEU A 121 -7.859 9.968 -2.173 1.00 0.00 H new ATOM 0 HG LEU A 121 -10.526 9.001 -1.177 1.00 0.00 H new ATOM 0 HD11 LEU A 121 -11.519 11.170 -1.788 1.00 0.00 H new ATOM 0 HD12 LEU A 121 -10.387 11.323 -0.424 1.00 0.00 H new ATOM 0 HD13 LEU A 121 -9.890 11.836 -2.054 1.00 0.00 H new ATOM 0 HD21 LEU A 121 -11.169 9.444 -3.514 1.00 0.00 H new ATOM 0 HD22 LEU A 121 -9.526 10.040 -3.848 1.00 0.00 H new ATOM 0 HD23 LEU A 121 -9.781 8.334 -3.410 1.00 0.00 H new ATOM 1789 N LYS A 122 -6.352 7.252 0.504 1.00 0.00 N ATOM 1790 CA LYS A 122 -5.071 7.191 1.200 1.00 0.00 C ATOM 1791 C LYS A 122 -4.452 5.803 1.078 1.00 0.00 C ATOM 1792 O LYS A 122 -3.318 5.656 0.623 1.00 0.00 O ATOM 1793 CB LYS A 122 -5.250 7.555 2.674 1.00 0.00 C ATOM 1794 CG LYS A 122 -6.078 8.812 2.894 1.00 0.00 C ATOM 1795 CD LYS A 122 -5.408 9.761 3.876 1.00 0.00 C ATOM 1796 CE LYS A 122 -5.565 11.209 3.445 1.00 0.00 C ATOM 1797 NZ LYS A 122 -5.219 12.156 4.542 1.00 0.00 N ATOM 0 H LYS A 122 -6.987 6.484 0.721 1.00 0.00 H new ATOM 0 HA LYS A 122 -4.398 7.911 0.735 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -5.726 6.721 3.190 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -4.268 7.692 3.128 1.00 0.00 H new ATOM 0 HG2 LYS A 122 -6.228 9.320 1.942 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -7.064 8.538 3.268 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -5.841 9.626 4.867 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -4.349 9.516 3.955 1.00 0.00 H new ATOM 0 HE2 LYS A 122 -4.926 11.403 2.583 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -6.592 11.383 3.126 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -5.339 13.133 4.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -5.845 11.989 5.355 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -4.231 12.008 4.830 1.00 0.00 H new ATOM 1811 N GLY A 123 -5.206 4.787 1.486 1.00 0.00 N ATOM 1812 CA GLY A 123 -4.715 3.424 1.413 1.00 0.00 C ATOM 1813 C GLY A 123 -4.771 2.862 0.007 1.00 0.00 C ATOM 1814 O GLY A 123 -5.822 2.883 -0.636 1.00 0.00 O ATOM 0 H GLY A 123 -6.148 4.884 1.866 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -3.687 3.392 1.773 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -5.305 2.792 2.077 1.00 0.00 H new ATOM 1818 N ILE A 124 -3.639 2.360 -0.475 1.00 0.00 N ATOM 1819 CA ILE A 124 -3.565 1.792 -1.815 1.00 0.00 C ATOM 1820 C ILE A 124 -2.699 0.535 -1.831 1.00 0.00 C ATOM 1821 O ILE A 124 -1.626 0.501 -1.230 1.00 0.00 O ATOM 1822 CB ILE A 124 -3.000 2.810 -2.826 1.00 0.00 C ATOM 1823 CG1 ILE A 124 -3.029 2.232 -4.243 1.00 0.00 C ATOM 1824 CG2 ILE A 124 -1.585 3.216 -2.440 1.00 0.00 C ATOM 1825 CD1 ILE A 124 -2.896 3.280 -5.327 1.00 0.00 C ATOM 0 H ILE A 124 -2.761 2.335 0.043 1.00 0.00 H new ATOM 0 HA ILE A 124 -4.582 1.531 -2.107 1.00 0.00 H new ATOM 0 HB ILE A 124 -3.629 3.700 -2.807 1.00 0.00 H new ATOM 0 HG12 ILE A 124 -2.221 1.508 -4.348 1.00 0.00 H new ATOM 0 HG13 ILE A 124 -3.964 1.690 -4.386 1.00 0.00 H new ATOM 0 HG21 ILE A 124 -1.202 3.935 -3.165 1.00 0.00 H new ATOM 0 HG22 ILE A 124 -1.594 3.670 -1.449 1.00 0.00 H new ATOM 0 HG23 ILE A 124 -0.944 2.335 -2.430 1.00 0.00 H new ATOM 0 HD11 ILE A 124 -2.925 2.798 -6.304 1.00 0.00 H new ATOM 0 HD12 ILE A 124 -3.719 3.991 -5.249 1.00 0.00 H new ATOM 0 HD13 ILE A 124 -1.949 3.807 -5.210 1.00 0.00 H new ATOM 1837 N PHE A 125 -3.174 -0.497 -2.521 1.00 0.00 N ATOM 1838 CA PHE A 125 -2.443 -1.755 -2.615 1.00 0.00 C ATOM 1839 C PHE A 125 -1.510 -1.756 -3.821 1.00 0.00 C ATOM 1840 O PHE A 125 -1.960 -1.708 -4.966 1.00 0.00 O ATOM 1841 CB PHE A 125 -3.420 -2.930 -2.709 1.00 0.00 C ATOM 1842 CG PHE A 125 -4.095 -3.256 -1.408 1.00 0.00 C ATOM 1843 CD1 PHE A 125 -3.513 -4.141 -0.513 1.00 0.00 C ATOM 1844 CD2 PHE A 125 -5.310 -2.678 -1.079 1.00 0.00 C ATOM 1845 CE1 PHE A 125 -4.132 -4.442 0.685 1.00 0.00 C ATOM 1846 CE2 PHE A 125 -5.934 -2.976 0.117 1.00 0.00 C ATOM 1847 CZ PHE A 125 -5.344 -3.859 1.001 1.00 0.00 C ATOM 0 H PHE A 125 -4.062 -0.487 -3.023 1.00 0.00 H new ATOM 0 HA PHE A 125 -1.839 -1.863 -1.714 1.00 0.00 H new ATOM 0 HB2 PHE A 125 -4.180 -2.701 -3.456 1.00 0.00 H new ATOM 0 HB3 PHE A 125 -2.883 -3.811 -3.061 1.00 0.00 H new ATOM 0 HD1 PHE A 125 -2.566 -4.600 -0.755 1.00 0.00 H new ATOM 0 HD2 PHE A 125 -5.775 -1.986 -1.766 1.00 0.00 H new ATOM 0 HE1 PHE A 125 -3.669 -5.133 1.374 1.00 0.00 H new ATOM 0 HE2 PHE A 125 -6.882 -2.519 0.361 1.00 0.00 H new ATOM 0 HZ PHE A 125 -5.829 -4.093 1.937 1.00 0.00 H new ATOM 1857 N THR A 126 -0.210 -1.811 -3.556 1.00 0.00 N ATOM 1858 CA THR A 126 0.789 -1.819 -4.620 1.00 0.00 C ATOM 1859 C THR A 126 1.919 -2.791 -4.298 1.00 0.00 C ATOM 1860 O THR A 126 2.108 -3.178 -3.145 1.00 0.00 O ATOM 1861 CB THR A 126 1.354 -0.413 -4.827 1.00 0.00 C ATOM 1862 OG1 THR A 126 2.440 -0.438 -5.736 1.00 0.00 O ATOM 1863 CG2 THR A 126 1.842 0.230 -3.548 1.00 0.00 C ATOM 0 H THR A 126 0.178 -1.851 -2.613 1.00 0.00 H new ATOM 0 HA THR A 126 0.303 -2.147 -5.539 1.00 0.00 H new ATOM 0 HB THR A 126 0.525 0.177 -5.218 1.00 0.00 H new ATOM 0 HG1 THR A 126 2.787 0.471 -5.857 1.00 0.00 H new ATOM 0 HG21 THR A 126 2.230 1.225 -3.766 1.00 0.00 H new ATOM 0 HG22 THR A 126 1.015 0.309 -2.842 1.00 0.00 H new ATOM 0 HG23 THR A 126 2.633 -0.380 -3.113 1.00 0.00 H new ATOM 1871 N ARG A 127 2.668 -3.183 -5.324 1.00 0.00 N ATOM 1872 CA ARG A 127 3.778 -4.110 -5.150 1.00 0.00 C ATOM 1873 C ARG A 127 4.961 -3.423 -4.468 1.00 0.00 C ATOM 1874 O ARG A 127 5.230 -2.248 -4.716 1.00 0.00 O ATOM 1875 CB ARG A 127 4.213 -4.679 -6.503 1.00 0.00 C ATOM 1876 CG ARG A 127 3.637 -6.053 -6.799 1.00 0.00 C ATOM 1877 CD ARG A 127 3.688 -6.371 -8.285 1.00 0.00 C ATOM 1878 NE ARG A 127 2.715 -7.393 -8.661 1.00 0.00 N ATOM 1879 CZ ARG A 127 2.306 -7.607 -9.910 1.00 0.00 C ATOM 1880 NH1 ARG A 127 2.784 -6.870 -10.905 1.00 0.00 N ATOM 1881 NH2 ARG A 127 1.419 -8.558 -10.163 1.00 0.00 N ATOM 0 H ARG A 127 2.525 -2.872 -6.285 1.00 0.00 H new ATOM 0 HA ARG A 127 3.439 -4.927 -4.513 1.00 0.00 H new ATOM 0 HB2 ARG A 127 3.910 -3.990 -7.292 1.00 0.00 H new ATOM 0 HB3 ARG A 127 5.301 -4.737 -6.530 1.00 0.00 H new ATOM 0 HG2 ARG A 127 4.194 -6.809 -6.245 1.00 0.00 H new ATOM 0 HG3 ARG A 127 2.605 -6.098 -6.451 1.00 0.00 H new ATOM 0 HD2 ARG A 127 3.498 -5.462 -8.857 1.00 0.00 H new ATOM 0 HD3 ARG A 127 4.690 -6.710 -8.549 1.00 0.00 H new ATOM 0 HE ARG A 127 2.325 -7.978 -7.922 1.00 0.00 H new ATOM 0 HH11 ARG A 127 3.467 -6.137 -10.714 1.00 0.00 H new ATOM 0 HH12 ARG A 127 2.468 -7.037 -11.860 1.00 0.00 H new ATOM 0 HH21 ARG A 127 1.049 -9.126 -9.401 1.00 0.00 H new ATOM 0 HH22 ARG A 127 1.106 -8.722 -11.120 1.00 0.00 H new ATOM 1895 N PRO A 128 5.687 -4.149 -3.600 1.00 0.00 N ATOM 1896 CA PRO A 128 6.846 -3.597 -2.889 1.00 0.00 C ATOM 1897 C PRO A 128 7.894 -3.038 -3.845 1.00 0.00 C ATOM 1898 O PRO A 128 8.510 -2.007 -3.573 1.00 0.00 O ATOM 1899 CB PRO A 128 7.410 -4.796 -2.123 1.00 0.00 C ATOM 1900 CG PRO A 128 6.272 -5.750 -2.007 1.00 0.00 C ATOM 1901 CD PRO A 128 5.442 -5.558 -3.244 1.00 0.00 C ATOM 0 HA PRO A 128 6.566 -2.763 -2.246 1.00 0.00 H new ATOM 0 HB2 PRO A 128 8.249 -5.245 -2.655 1.00 0.00 H new ATOM 0 HB3 PRO A 128 7.778 -4.499 -1.141 1.00 0.00 H new ATOM 0 HG2 PRO A 128 6.630 -6.777 -1.933 1.00 0.00 H new ATOM 0 HG3 PRO A 128 5.686 -5.551 -1.110 1.00 0.00 H new ATOM 0 HD2 PRO A 128 5.748 -6.234 -4.043 1.00 0.00 H new ATOM 0 HD3 PRO A 128 4.386 -5.747 -3.053 1.00 0.00 H new ATOM 1909 N SER A 129 8.092 -3.727 -4.963 1.00 0.00 N ATOM 1910 CA SER A 129 9.067 -3.305 -5.962 1.00 0.00 C ATOM 1911 C SER A 129 8.745 -1.909 -6.488 1.00 0.00 C ATOM 1912 O SER A 129 9.632 -1.189 -6.946 1.00 0.00 O ATOM 1913 CB SER A 129 9.106 -4.302 -7.120 1.00 0.00 C ATOM 1914 OG SER A 129 10.427 -4.475 -7.600 1.00 0.00 O ATOM 0 H SER A 129 7.589 -4.582 -5.201 1.00 0.00 H new ATOM 0 HA SER A 129 10.046 -3.274 -5.484 1.00 0.00 H new ATOM 0 HB2 SER A 129 8.707 -5.262 -6.791 1.00 0.00 H new ATOM 0 HB3 SER A 129 8.465 -3.950 -7.929 1.00 0.00 H new ATOM 0 HG SER A 129 10.425 -5.119 -8.339 1.00 0.00 H new ATOM 1920 N LYS A 130 7.471 -1.532 -6.423 1.00 0.00 N ATOM 1921 CA LYS A 130 7.038 -0.222 -6.895 1.00 0.00 C ATOM 1922 C LYS A 130 7.457 0.873 -5.920 1.00 0.00 C ATOM 1923 O LYS A 130 7.652 2.023 -6.310 1.00 0.00 O ATOM 1924 CB LYS A 130 5.519 -0.202 -7.083 1.00 0.00 C ATOM 1925 CG LYS A 130 5.044 -1.011 -8.278 1.00 0.00 C ATOM 1926 CD LYS A 130 3.853 -0.354 -8.958 1.00 0.00 C ATOM 1927 CE LYS A 130 4.275 0.850 -9.783 1.00 0.00 C ATOM 1928 NZ LYS A 130 5.042 0.451 -10.996 1.00 0.00 N ATOM 0 H LYS A 130 6.722 -2.115 -6.049 1.00 0.00 H new ATOM 0 HA LYS A 130 7.518 -0.031 -7.855 1.00 0.00 H new ATOM 0 HB2 LYS A 130 5.044 -0.589 -6.181 1.00 0.00 H new ATOM 0 HB3 LYS A 130 5.189 0.830 -7.199 1.00 0.00 H new ATOM 0 HG2 LYS A 130 5.859 -1.118 -8.993 1.00 0.00 H new ATOM 0 HG3 LYS A 130 4.771 -2.015 -7.954 1.00 0.00 H new ATOM 0 HD2 LYS A 130 3.354 -1.080 -9.601 1.00 0.00 H new ATOM 0 HD3 LYS A 130 3.129 -0.044 -8.205 1.00 0.00 H new ATOM 0 HE2 LYS A 130 3.391 1.413 -10.082 1.00 0.00 H new ATOM 0 HE3 LYS A 130 4.884 1.514 -9.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 130 5.078 1.249 -11.662 1.00 0.00 H new ATOM 0 HZ2 LYS A 130 6.010 0.185 -10.723 1.00 0.00 H new ATOM 0 HZ3 LYS A 130 4.575 -0.359 -11.451 1.00 0.00 H new ATOM 1942 N LEU A 131 7.596 0.506 -4.650 1.00 0.00 N ATOM 1943 CA LEU A 131 7.993 1.457 -3.618 1.00 0.00 C ATOM 1944 C LEU A 131 9.444 1.885 -3.805 1.00 0.00 C ATOM 1945 O LEU A 131 10.272 1.115 -4.291 1.00 0.00 O ATOM 1946 CB LEU A 131 7.805 0.842 -2.231 1.00 0.00 C ATOM 1947 CG LEU A 131 6.468 0.130 -2.014 1.00 0.00 C ATOM 1948 CD1 LEU A 131 6.402 -0.464 -0.615 1.00 0.00 C ATOM 1949 CD2 LEU A 131 5.311 1.088 -2.243 1.00 0.00 C ATOM 0 H LEU A 131 7.440 -0.443 -4.311 1.00 0.00 H new ATOM 0 HA LEU A 131 7.358 2.339 -3.706 1.00 0.00 H new ATOM 0 HB2 LEU A 131 8.611 0.130 -2.054 1.00 0.00 H new ATOM 0 HB3 LEU A 131 7.905 1.630 -1.484 1.00 0.00 H new ATOM 0 HG LEU A 131 6.389 -0.682 -2.736 1.00 0.00 H new ATOM 0 HD11 LEU A 131 5.445 -0.967 -0.478 1.00 0.00 H new ATOM 0 HD12 LEU A 131 7.211 -1.183 -0.487 1.00 0.00 H new ATOM 0 HD13 LEU A 131 6.503 0.332 0.123 1.00 0.00 H new ATOM 0 HD21 LEU A 131 4.368 0.564 -2.084 1.00 0.00 H new ATOM 0 HD22 LEU A 131 5.385 1.922 -1.545 1.00 0.00 H new ATOM 0 HD23 LEU A 131 5.348 1.466 -3.265 1.00 0.00 H new ATOM 1961 N THR A 132 9.748 3.119 -3.414 1.00 0.00 N ATOM 1962 CA THR A 132 11.100 3.650 -3.539 1.00 0.00 C ATOM 1963 C THR A 132 11.449 4.537 -2.348 1.00 0.00 C ATOM 1964 O THR A 132 10.578 5.184 -1.767 1.00 0.00 O ATOM 1965 CB THR A 132 11.242 4.443 -4.839 1.00 0.00 C ATOM 1966 OG1 THR A 132 10.572 5.686 -4.743 1.00 0.00 O ATOM 1967 CG2 THR A 132 10.691 3.715 -6.046 1.00 0.00 C ATOM 0 H THR A 132 9.076 3.770 -3.008 1.00 0.00 H new ATOM 0 HA THR A 132 11.793 2.809 -3.558 1.00 0.00 H new ATOM 0 HB THR A 132 12.314 4.583 -4.978 1.00 0.00 H new ATOM 0 HG1 THR A 132 9.632 5.534 -4.512 1.00 0.00 H new ATOM 0 HG21 THR A 132 10.823 4.332 -6.935 1.00 0.00 H new ATOM 0 HG22 THR A 132 11.223 2.772 -6.176 1.00 0.00 H new ATOM 0 HG23 THR A 132 9.630 3.515 -5.897 1.00 0.00 H new ATOM 1975 N ARG A 133 12.729 4.560 -1.990 1.00 0.00 N ATOM 1976 CA ARG A 133 13.194 5.368 -0.868 1.00 0.00 C ATOM 1977 C ARG A 133 13.434 6.812 -1.300 1.00 0.00 C ATOM 1978 O ARG A 133 14.308 7.088 -2.121 1.00 0.00 O ATOM 1979 CB ARG A 133 14.478 4.774 -0.283 1.00 0.00 C ATOM 1980 CG ARG A 133 14.425 4.575 1.223 1.00 0.00 C ATOM 1981 CD ARG A 133 15.805 4.687 1.852 1.00 0.00 C ATOM 1982 NE ARG A 133 16.275 3.405 2.373 1.00 0.00 N ATOM 1983 CZ ARG A 133 15.864 2.877 3.523 1.00 0.00 C ATOM 1984 NH1 ARG A 133 14.977 3.516 4.276 1.00 0.00 N ATOM 1985 NH2 ARG A 133 16.342 1.707 3.924 1.00 0.00 N ATOM 0 H ARG A 133 13.462 4.029 -2.460 1.00 0.00 H new ATOM 0 HA ARG A 133 12.419 5.363 -0.101 1.00 0.00 H new ATOM 0 HB2 ARG A 133 14.675 3.815 -0.761 1.00 0.00 H new ATOM 0 HB3 ARG A 133 15.315 5.429 -0.525 1.00 0.00 H new ATOM 0 HG2 ARG A 133 13.762 5.318 1.666 1.00 0.00 H new ATOM 0 HG3 ARG A 133 14.001 3.596 1.446 1.00 0.00 H new ATOM 0 HD2 ARG A 133 16.512 5.058 1.110 1.00 0.00 H new ATOM 0 HD3 ARG A 133 15.777 5.418 2.660 1.00 0.00 H new ATOM 0 HE ARG A 133 16.958 2.885 1.823 1.00 0.00 H new ATOM 0 HH11 ARG A 133 14.607 4.417 3.974 1.00 0.00 H new ATOM 0 HH12 ARG A 133 14.666 3.106 5.157 1.00 0.00 H new ATOM 0 HH21 ARG A 133 17.025 1.212 3.351 1.00 0.00 H new ATOM 0 HH22 ARG A 133 16.027 1.302 4.806 1.00 0.00 H new ATOM 1999 N LYS A 134 12.649 7.728 -0.741 1.00 0.00 N ATOM 2000 CA LYS A 134 12.775 9.143 -1.068 1.00 0.00 C ATOM 2001 C LYS A 134 12.517 9.384 -2.552 1.00 0.00 C ATOM 2002 O LYS A 134 12.511 8.449 -3.352 1.00 0.00 O ATOM 2003 CB LYS A 134 14.166 9.655 -0.687 1.00 0.00 C ATOM 2004 CG LYS A 134 14.159 10.599 0.505 1.00 0.00 C ATOM 2005 CD LYS A 134 13.639 9.912 1.756 1.00 0.00 C ATOM 2006 CE LYS A 134 13.989 10.698 3.010 1.00 0.00 C ATOM 2007 NZ LYS A 134 12.985 10.497 4.090 1.00 0.00 N ATOM 0 H LYS A 134 11.920 7.515 -0.060 1.00 0.00 H new ATOM 0 HA LYS A 134 12.026 9.691 -0.496 1.00 0.00 H new ATOM 0 HB2 LYS A 134 14.809 8.804 -0.463 1.00 0.00 H new ATOM 0 HB3 LYS A 134 14.603 10.168 -1.544 1.00 0.00 H new ATOM 0 HG2 LYS A 134 15.169 10.968 0.684 1.00 0.00 H new ATOM 0 HG3 LYS A 134 13.538 11.466 0.280 1.00 0.00 H new ATOM 0 HD2 LYS A 134 12.557 9.798 1.687 1.00 0.00 H new ATOM 0 HD3 LYS A 134 14.061 8.909 1.824 1.00 0.00 H new ATOM 0 HE2 LYS A 134 14.972 10.392 3.367 1.00 0.00 H new ATOM 0 HE3 LYS A 134 14.054 11.759 2.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 134 13.260 11.050 4.927 1.00 0.00 H new ATOM 0 HZ2 LYS A 134 12.051 10.812 3.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 134 12.941 9.488 4.340 1.00 0.00 H new