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 X(o=0,f=0) USER MOD Single : A 76 ASN : amide:sc= -0.226 K(o=-0.23,f=-3.1!) USER MOD Single : A 77 LYS NZ :NH3+ -163:sc= -0.11 (180deg=-0.178) USER MOD Single : A 82 GLN : amide:sc= 0.239 X(o=0.24,f=0) USER MOD Single : A 87 THR OG1 : rot -98:sc= 0.347 USER MOD Single : A 88 GLN : amide:sc= -0.331 K(o=-0.33,f=-2.3) USER MOD Single : A 93 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 105 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0263) USER MOD Single : A 106 ASN : amide:sc= 0 K(o=0,f=-0.57) USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 115 TYR OH : rot 30:sc= 0.433 USER MOD Single : A 117 GLN : amide:sc= -2.03 K(o=-2,f=-1.4) USER MOD Single : A 118 CYS SG : rot -134:sc= 0.0772 USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 126 THR OG1 : rot 180:sc= -0.245 USER MOD Single : A 129 SER OG : rot -100:sc= -2.42 USER MOD Single : A 130 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 132 THR OG1 : rot 27:sc= -0.587 USER MOD Single : A 134 LYS NZ :NH3+ 150:sc= -0.0284 (180deg=-0.72) USER MOD ----------------------------------------------------------------- ATOM 915 N PHE A 65 10.056 -4.982 2.881 1.00 0.00 N ATOM 916 CA PHE A 65 9.764 -3.738 3.581 1.00 0.00 C ATOM 917 C PHE A 65 9.208 -4.016 4.974 1.00 0.00 C ATOM 918 O PHE A 65 8.682 -5.097 5.239 1.00 0.00 O ATOM 919 CB PHE A 65 8.765 -2.899 2.781 1.00 0.00 C ATOM 920 CG PHE A 65 9.320 -2.381 1.485 1.00 0.00 C ATOM 921 CD1 PHE A 65 9.493 -3.227 0.402 1.00 0.00 C ATOM 922 CD2 PHE A 65 9.667 -1.046 1.350 1.00 0.00 C ATOM 923 CE1 PHE A 65 10.004 -2.753 -0.792 1.00 0.00 C ATOM 924 CE2 PHE A 65 10.178 -0.566 0.158 1.00 0.00 C ATOM 925 CZ PHE A 65 10.345 -1.421 -0.914 1.00 0.00 C ATOM 0 HA PHE A 65 10.696 -3.182 3.684 1.00 0.00 H new ATOM 0 HB2 PHE A 65 7.881 -3.502 2.573 1.00 0.00 H new ATOM 0 HB3 PHE A 65 8.440 -2.056 3.391 1.00 0.00 H new ATOM 0 HD1 PHE A 65 9.225 -4.270 0.491 1.00 0.00 H new ATOM 0 HD2 PHE A 65 9.537 -0.373 2.185 1.00 0.00 H new ATOM 0 HE1 PHE A 65 10.136 -3.424 -1.628 1.00 0.00 H new ATOM 0 HE2 PHE A 65 10.446 0.476 0.065 1.00 0.00 H new ATOM 0 HZ PHE A 65 10.742 -1.048 -1.847 1.00 0.00 H new ATOM 935 N ARG A 66 9.328 -3.033 5.861 1.00 0.00 N ATOM 936 CA ARG A 66 8.836 -3.173 7.227 1.00 0.00 C ATOM 937 C ARG A 66 7.571 -2.346 7.436 1.00 0.00 C ATOM 938 O ARG A 66 7.337 -1.363 6.734 1.00 0.00 O ATOM 939 CB ARG A 66 9.916 -2.744 8.225 1.00 0.00 C ATOM 940 CG ARG A 66 10.350 -3.857 9.165 1.00 0.00 C ATOM 941 CD ARG A 66 10.763 -3.310 10.522 1.00 0.00 C ATOM 942 NE ARG A 66 10.396 -4.213 11.611 1.00 0.00 N ATOM 943 CZ ARG A 66 10.943 -5.411 11.797 1.00 0.00 C ATOM 944 NH1 ARG A 66 11.882 -5.855 10.970 1.00 0.00 N ATOM 945 NH2 ARG A 66 10.552 -6.168 12.812 1.00 0.00 N ATOM 0 H ARG A 66 9.761 -2.132 5.659 1.00 0.00 H new ATOM 0 HA ARG A 66 8.592 -4.222 7.396 1.00 0.00 H new ATOM 0 HB2 ARG A 66 10.785 -2.384 7.675 1.00 0.00 H new ATOM 0 HB3 ARG A 66 9.543 -1.906 8.814 1.00 0.00 H new ATOM 0 HG2 ARG A 66 9.533 -4.568 9.291 1.00 0.00 H new ATOM 0 HG3 ARG A 66 11.183 -4.404 8.723 1.00 0.00 H new ATOM 0 HD2 ARG A 66 11.841 -3.146 10.534 1.00 0.00 H new ATOM 0 HD3 ARG A 66 10.292 -2.340 10.681 1.00 0.00 H new ATOM 0 HE ARG A 66 9.678 -3.906 12.267 1.00 0.00 H new ATOM 0 HH11 ARG A 66 12.187 -5.277 10.187 1.00 0.00 H new ATOM 0 HH12 ARG A 66 12.298 -6.775 11.117 1.00 0.00 H new ATOM 0 HH21 ARG A 66 9.831 -5.832 13.451 1.00 0.00 H new ATOM 0 HH22 ARG A 66 10.972 -7.087 12.954 1.00 0.00 H new ATOM 959 N VAL A 67 6.759 -2.751 8.407 1.00 0.00 N ATOM 960 CA VAL A 67 5.518 -2.048 8.710 1.00 0.00 C ATOM 961 C VAL A 67 5.785 -0.793 9.532 1.00 0.00 C ATOM 962 O VAL A 67 6.093 -0.873 10.722 1.00 0.00 O ATOM 963 CB VAL A 67 4.533 -2.950 9.475 1.00 0.00 C ATOM 964 CG1 VAL A 67 3.177 -2.272 9.606 1.00 0.00 C ATOM 965 CG2 VAL A 67 4.398 -4.299 8.785 1.00 0.00 C ATOM 0 H VAL A 67 6.938 -3.563 8.998 1.00 0.00 H new ATOM 0 HA VAL A 67 5.073 -1.766 7.756 1.00 0.00 H new ATOM 0 HB VAL A 67 4.927 -3.118 10.477 1.00 0.00 H new ATOM 0 HG11 VAL A 67 2.495 -2.925 10.150 1.00 0.00 H new ATOM 0 HG12 VAL A 67 3.290 -1.333 10.149 1.00 0.00 H new ATOM 0 HG13 VAL A 67 2.773 -2.071 8.614 1.00 0.00 H new ATOM 0 HG21 VAL A 67 3.698 -4.923 9.340 1.00 0.00 H new ATOM 0 HG22 VAL A 67 4.028 -4.153 7.770 1.00 0.00 H new ATOM 0 HG23 VAL A 67 5.371 -4.789 8.750 1.00 0.00 H new ATOM 975 N GLY A 68 5.667 0.366 8.892 1.00 0.00 N ATOM 976 CA GLY A 68 5.899 1.622 9.579 1.00 0.00 C ATOM 977 C GLY A 68 7.120 2.353 9.055 1.00 0.00 C ATOM 978 O GLY A 68 7.897 2.911 9.828 1.00 0.00 O ATOM 0 H GLY A 68 5.414 0.457 7.908 1.00 0.00 H new ATOM 0 HA2 GLY A 68 5.022 2.260 9.469 1.00 0.00 H new ATOM 0 HA3 GLY A 68 6.023 1.432 10.645 1.00 0.00 H new ATOM 982 N GLU A 69 7.287 2.347 7.736 1.00 0.00 N ATOM 983 CA GLU A 69 8.422 3.013 7.108 1.00 0.00 C ATOM 984 C GLU A 69 7.965 3.869 5.930 1.00 0.00 C ATOM 985 O GLU A 69 7.110 3.457 5.146 1.00 0.00 O ATOM 986 CB GLU A 69 9.450 1.983 6.637 1.00 0.00 C ATOM 987 CG GLU A 69 9.825 0.967 7.704 1.00 0.00 C ATOM 988 CD GLU A 69 11.271 0.525 7.602 1.00 0.00 C ATOM 989 OE1 GLU A 69 11.791 0.449 6.469 1.00 0.00 O ATOM 990 OE2 GLU A 69 11.885 0.252 8.656 1.00 0.00 O ATOM 0 H GLU A 69 6.652 1.889 7.083 1.00 0.00 H new ATOM 0 HA GLU A 69 8.886 3.663 7.850 1.00 0.00 H new ATOM 0 HB2 GLU A 69 9.053 1.456 5.769 1.00 0.00 H new ATOM 0 HB3 GLU A 69 10.350 2.503 6.310 1.00 0.00 H new ATOM 0 HG2 GLU A 69 9.649 1.398 8.689 1.00 0.00 H new ATOM 0 HG3 GLU A 69 9.175 0.096 7.616 1.00 0.00 H new ATOM 997 N ARG A 70 8.542 5.060 5.811 1.00 0.00 N ATOM 998 CA ARG A 70 8.194 5.973 4.729 1.00 0.00 C ATOM 999 C ARG A 70 8.577 5.383 3.376 1.00 0.00 C ATOM 1000 O ARG A 70 9.702 4.923 3.183 1.00 0.00 O ATOM 1001 CB ARG A 70 8.891 7.320 4.927 1.00 0.00 C ATOM 1002 CG ARG A 70 8.041 8.511 4.513 1.00 0.00 C ATOM 1003 CD ARG A 70 7.361 9.154 5.711 1.00 0.00 C ATOM 1004 NE ARG A 70 8.300 9.915 6.530 1.00 0.00 N ATOM 1005 CZ ARG A 70 8.839 11.075 6.158 1.00 0.00 C ATOM 1006 NH1 ARG A 70 8.535 11.608 4.981 1.00 0.00 N ATOM 1007 NH2 ARG A 70 9.685 11.701 6.964 1.00 0.00 N ATOM 0 H ARG A 70 9.253 5.415 6.451 1.00 0.00 H new ATOM 0 HA ARG A 70 7.115 6.124 4.747 1.00 0.00 H new ATOM 0 HB2 ARG A 70 9.165 7.427 5.976 1.00 0.00 H new ATOM 0 HB3 ARG A 70 9.818 7.328 4.353 1.00 0.00 H new ATOM 0 HG2 ARG A 70 8.666 9.248 4.009 1.00 0.00 H new ATOM 0 HG3 ARG A 70 7.287 8.189 3.795 1.00 0.00 H new ATOM 0 HD2 ARG A 70 6.565 9.813 5.365 1.00 0.00 H new ATOM 0 HD3 ARG A 70 6.893 8.381 6.320 1.00 0.00 H new ATOM 0 HE ARG A 70 8.559 9.536 7.441 1.00 0.00 H new ATOM 0 HH11 ARG A 70 7.886 11.129 4.357 1.00 0.00 H new ATOM 0 HH12 ARG A 70 8.950 12.496 4.701 1.00 0.00 H new ATOM 0 HH21 ARG A 70 9.923 11.294 7.869 1.00 0.00 H new ATOM 0 HH22 ARG A 70 10.098 12.589 6.679 1.00 0.00 H new ATOM 1021 N VAL A 71 7.633 5.400 2.441 1.00 0.00 N ATOM 1022 CA VAL A 71 7.870 4.868 1.104 1.00 0.00 C ATOM 1023 C VAL A 71 7.174 5.714 0.045 1.00 0.00 C ATOM 1024 O VAL A 71 6.164 6.362 0.319 1.00 0.00 O ATOM 1025 CB VAL A 71 7.384 3.412 0.983 1.00 0.00 C ATOM 1026 CG1 VAL A 71 8.284 2.479 1.779 1.00 0.00 C ATOM 1027 CG2 VAL A 71 5.939 3.292 1.442 1.00 0.00 C ATOM 0 H VAL A 71 6.696 5.777 2.585 1.00 0.00 H new ATOM 0 HA VAL A 71 8.947 4.897 0.939 1.00 0.00 H new ATOM 0 HB VAL A 71 7.434 3.118 -0.065 1.00 0.00 H new ATOM 0 HG11 VAL A 71 7.924 1.455 1.681 1.00 0.00 H new ATOM 0 HG12 VAL A 71 9.303 2.544 1.398 1.00 0.00 H new ATOM 0 HG13 VAL A 71 8.271 2.769 2.830 1.00 0.00 H new ATOM 0 HG21 VAL A 71 5.613 2.256 1.349 1.00 0.00 H new ATOM 0 HG22 VAL A 71 5.861 3.605 2.483 1.00 0.00 H new ATOM 0 HG23 VAL A 71 5.307 3.928 0.823 1.00 0.00 H new ATOM 1037 N TRP A 72 7.719 5.703 -1.166 1.00 0.00 N ATOM 1038 CA TRP A 72 7.151 6.470 -2.269 1.00 0.00 C ATOM 1039 C TRP A 72 6.636 5.544 -3.366 1.00 0.00 C ATOM 1040 O TRP A 72 7.409 5.047 -4.185 1.00 0.00 O ATOM 1041 CB TRP A 72 8.197 7.424 -2.847 1.00 0.00 C ATOM 1042 CG TRP A 72 8.252 8.747 -2.145 1.00 0.00 C ATOM 1043 CD1 TRP A 72 7.873 9.957 -2.650 1.00 0.00 C ATOM 1044 CD2 TRP A 72 8.715 8.993 -0.813 1.00 0.00 C ATOM 1045 NE1 TRP A 72 8.073 10.942 -1.713 1.00 0.00 N ATOM 1046 CE2 TRP A 72 8.589 10.376 -0.577 1.00 0.00 C ATOM 1047 CE3 TRP A 72 9.224 8.181 0.204 1.00 0.00 C ATOM 1048 CZ2 TRP A 72 8.953 10.961 0.633 1.00 0.00 C ATOM 1049 CZ3 TRP A 72 9.586 8.762 1.405 1.00 0.00 C ATOM 1050 CH2 TRP A 72 9.448 10.141 1.611 1.00 0.00 C ATOM 0 H TRP A 72 8.554 5.171 -1.409 1.00 0.00 H new ATOM 0 HA TRP A 72 6.313 7.050 -1.881 1.00 0.00 H new ATOM 0 HB2 TRP A 72 9.178 6.952 -2.792 1.00 0.00 H new ATOM 0 HB3 TRP A 72 7.982 7.590 -3.903 1.00 0.00 H new ATOM 0 HD1 TRP A 72 7.474 10.117 -3.641 1.00 0.00 H new ATOM 0 HE1 TRP A 72 7.870 11.933 -1.842 1.00 0.00 H new ATOM 0 HE3 TRP A 72 9.333 7.117 0.054 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 8.849 12.024 0.794 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 9.981 8.143 2.197 1.00 0.00 H new ATOM 0 HH2 TRP A 72 9.738 10.566 2.561 1.00 0.00 H new ATOM 1061 N VAL A 73 5.326 5.318 -3.382 1.00 0.00 N ATOM 1062 CA VAL A 73 4.715 4.455 -4.386 1.00 0.00 C ATOM 1063 C VAL A 73 4.890 5.045 -5.781 1.00 0.00 C ATOM 1064 O VAL A 73 4.546 6.201 -6.025 1.00 0.00 O ATOM 1065 CB VAL A 73 3.213 4.238 -4.115 1.00 0.00 C ATOM 1066 CG1 VAL A 73 2.680 3.088 -4.956 1.00 0.00 C ATOM 1067 CG2 VAL A 73 2.967 3.982 -2.635 1.00 0.00 C ATOM 0 H VAL A 73 4.669 5.719 -2.713 1.00 0.00 H new ATOM 0 HA VAL A 73 5.221 3.492 -4.328 1.00 0.00 H new ATOM 0 HB VAL A 73 2.678 5.145 -4.397 1.00 0.00 H new ATOM 0 HG11 VAL A 73 1.618 2.949 -4.752 1.00 0.00 H new ATOM 0 HG12 VAL A 73 2.819 3.315 -6.013 1.00 0.00 H new ATOM 0 HG13 VAL A 73 3.220 2.174 -4.707 1.00 0.00 H new ATOM 0 HG21 VAL A 73 1.901 3.831 -2.464 1.00 0.00 H new ATOM 0 HG22 VAL A 73 3.514 3.092 -2.324 1.00 0.00 H new ATOM 0 HG23 VAL A 73 3.310 4.839 -2.056 1.00 0.00 H new ATOM 1077 N ASN A 74 5.436 4.247 -6.693 1.00 0.00 N ATOM 1078 CA ASN A 74 5.665 4.696 -8.063 1.00 0.00 C ATOM 1079 C ASN A 74 6.711 5.810 -8.106 1.00 0.00 C ATOM 1080 O ASN A 74 6.843 6.510 -9.111 1.00 0.00 O ATOM 1081 CB ASN A 74 4.357 5.181 -8.692 1.00 0.00 C ATOM 1082 CG ASN A 74 3.771 4.169 -9.658 1.00 0.00 C ATOM 1083 OD1 ASN A 74 4.211 4.059 -10.801 1.00 0.00 O ATOM 1084 ND2 ASN A 74 2.771 3.425 -9.200 1.00 0.00 N ATOM 0 H ASN A 74 5.728 3.287 -6.509 1.00 0.00 H new ATOM 0 HA ASN A 74 6.041 3.849 -8.636 1.00 0.00 H new ATOM 0 HB2 ASN A 74 3.633 5.389 -7.904 1.00 0.00 H new ATOM 0 HB3 ASN A 74 4.535 6.120 -9.217 1.00 0.00 H new ATOM 0 HD21 ASN A 74 2.336 2.728 -9.804 1.00 0.00 H new ATOM 0 HD22 ASN A 74 2.438 3.551 -8.244 1.00 0.00 H new ATOM 1091 N GLY A 75 7.457 5.967 -7.014 1.00 0.00 N ATOM 1092 CA GLY A 75 8.483 6.992 -6.953 1.00 0.00 C ATOM 1093 C GLY A 75 7.911 8.397 -6.910 1.00 0.00 C ATOM 1094 O GLY A 75 8.464 9.315 -7.515 1.00 0.00 O ATOM 0 H GLY A 75 7.368 5.401 -6.170 1.00 0.00 H new ATOM 0 HA2 GLY A 75 9.100 6.829 -6.070 1.00 0.00 H new ATOM 0 HA3 GLY A 75 9.136 6.897 -7.820 1.00 0.00 H new ATOM 1098 N ASN A 76 6.805 8.570 -6.191 1.00 0.00 N ATOM 1099 CA ASN A 76 6.168 9.880 -6.075 1.00 0.00 C ATOM 1100 C ASN A 76 4.884 9.801 -5.254 1.00 0.00 C ATOM 1101 O ASN A 76 3.899 10.474 -5.561 1.00 0.00 O ATOM 1102 CB ASN A 76 5.863 10.449 -7.463 1.00 0.00 C ATOM 1103 CG ASN A 76 5.181 9.439 -8.365 1.00 0.00 C ATOM 1104 OD1 ASN A 76 4.493 8.534 -7.895 1.00 0.00 O ATOM 1105 ND2 ASN A 76 5.372 9.589 -9.671 1.00 0.00 N ATOM 0 H ASN A 76 6.332 7.823 -5.682 1.00 0.00 H new ATOM 0 HA ASN A 76 6.863 10.543 -5.560 1.00 0.00 H new ATOM 0 HB2 ASN A 76 5.227 11.328 -7.360 1.00 0.00 H new ATOM 0 HB3 ASN A 76 6.791 10.780 -7.929 1.00 0.00 H new ATOM 0 HD21 ASN A 76 4.940 8.939 -10.328 1.00 0.00 H new ATOM 0 HD22 ASN A 76 5.951 10.354 -10.017 1.00 0.00 H new ATOM 1112 N LYS A 77 4.897 8.980 -4.208 1.00 0.00 N ATOM 1113 CA LYS A 77 3.731 8.821 -3.347 1.00 0.00 C ATOM 1114 C LYS A 77 4.147 8.474 -1.920 1.00 0.00 C ATOM 1115 O LYS A 77 4.132 7.307 -1.528 1.00 0.00 O ATOM 1116 CB LYS A 77 2.809 7.731 -3.896 1.00 0.00 C ATOM 1117 CG LYS A 77 1.895 8.206 -5.015 1.00 0.00 C ATOM 1118 CD LYS A 77 0.741 9.036 -4.479 1.00 0.00 C ATOM 1119 CE LYS A 77 -0.283 9.330 -5.563 1.00 0.00 C ATOM 1120 NZ LYS A 77 0.162 10.429 -6.465 1.00 0.00 N ATOM 0 H LYS A 77 5.702 8.415 -3.937 1.00 0.00 H new ATOM 0 HA LYS A 77 3.195 9.770 -3.330 1.00 0.00 H new ATOM 0 HB2 LYS A 77 3.417 6.904 -4.263 1.00 0.00 H new ATOM 0 HB3 LYS A 77 2.198 7.341 -3.082 1.00 0.00 H new ATOM 0 HG2 LYS A 77 2.469 8.797 -5.728 1.00 0.00 H new ATOM 0 HG3 LYS A 77 1.504 7.345 -5.557 1.00 0.00 H new ATOM 0 HD2 LYS A 77 0.260 8.505 -3.657 1.00 0.00 H new ATOM 0 HD3 LYS A 77 1.123 9.973 -4.074 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -0.460 8.428 -6.149 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -1.232 9.601 -5.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -0.654 10.794 -6.996 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 0.578 11.196 -5.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 0.873 10.065 -7.131 1.00 0.00 H new ATOM 1134 N PRO A 78 4.519 9.486 -1.119 1.00 0.00 N ATOM 1135 CA PRO A 78 4.938 9.279 0.272 1.00 0.00 C ATOM 1136 C PRO A 78 3.798 8.764 1.146 1.00 0.00 C ATOM 1137 O PRO A 78 2.656 9.203 1.016 1.00 0.00 O ATOM 1138 CB PRO A 78 5.374 10.674 0.731 1.00 0.00 C ATOM 1139 CG PRO A 78 4.668 11.617 -0.182 1.00 0.00 C ATOM 1140 CD PRO A 78 4.562 10.908 -1.502 1.00 0.00 C ATOM 0 HA PRO A 78 5.724 8.528 0.351 1.00 0.00 H new ATOM 0 HB2 PRO A 78 5.100 10.851 1.771 1.00 0.00 H new ATOM 0 HB3 PRO A 78 6.455 10.792 0.662 1.00 0.00 H new ATOM 0 HG2 PRO A 78 3.681 11.871 0.205 1.00 0.00 H new ATOM 0 HG3 PRO A 78 5.221 12.551 -0.283 1.00 0.00 H new ATOM 0 HD2 PRO A 78 3.666 11.205 -2.048 1.00 0.00 H new ATOM 0 HD3 PRO A 78 5.414 11.126 -2.146 1.00 0.00 H new ATOM 1148 N GLY A 79 4.117 7.830 2.037 1.00 0.00 N ATOM 1149 CA GLY A 79 3.107 7.271 2.918 1.00 0.00 C ATOM 1150 C GLY A 79 3.701 6.369 3.982 1.00 0.00 C ATOM 1151 O GLY A 79 4.888 6.460 4.292 1.00 0.00 O ATOM 0 H GLY A 79 5.055 7.451 2.165 1.00 0.00 H new ATOM 0 HA2 GLY A 79 2.559 8.082 3.398 1.00 0.00 H new ATOM 0 HA3 GLY A 79 2.387 6.705 2.327 1.00 0.00 H new ATOM 1155 N PHE A 80 2.871 5.496 4.544 1.00 0.00 N ATOM 1156 CA PHE A 80 3.319 4.573 5.580 1.00 0.00 C ATOM 1157 C PHE A 80 2.751 3.176 5.349 1.00 0.00 C ATOM 1158 O PHE A 80 1.543 3.006 5.179 1.00 0.00 O ATOM 1159 CB PHE A 80 2.901 5.083 6.961 1.00 0.00 C ATOM 1160 CG PHE A 80 3.452 6.440 7.292 1.00 0.00 C ATOM 1161 CD1 PHE A 80 4.739 6.578 7.786 1.00 0.00 C ATOM 1162 CD2 PHE A 80 2.682 7.578 7.110 1.00 0.00 C ATOM 1163 CE1 PHE A 80 5.249 7.826 8.090 1.00 0.00 C ATOM 1164 CE2 PHE A 80 3.186 8.828 7.414 1.00 0.00 C ATOM 1165 CZ PHE A 80 4.471 8.953 7.905 1.00 0.00 C ATOM 0 H PHE A 80 1.885 5.409 4.299 1.00 0.00 H new ATOM 0 HA PHE A 80 4.406 4.515 5.534 1.00 0.00 H new ATOM 0 HB2 PHE A 80 1.813 5.120 7.012 1.00 0.00 H new ATOM 0 HB3 PHE A 80 3.232 4.371 7.717 1.00 0.00 H new ATOM 0 HD1 PHE A 80 5.351 5.700 7.935 1.00 0.00 H new ATOM 0 HD2 PHE A 80 1.677 7.487 6.726 1.00 0.00 H new ATOM 0 HE1 PHE A 80 6.255 7.920 8.472 1.00 0.00 H new ATOM 0 HE2 PHE A 80 2.576 9.707 7.268 1.00 0.00 H new ATOM 0 HZ PHE A 80 4.867 9.929 8.144 1.00 0.00 H new ATOM 1175 N ILE A 81 3.630 2.180 5.342 1.00 0.00 N ATOM 1176 CA ILE A 81 3.218 0.797 5.131 1.00 0.00 C ATOM 1177 C ILE A 81 2.501 0.244 6.359 1.00 0.00 C ATOM 1178 O ILE A 81 2.925 0.473 7.492 1.00 0.00 O ATOM 1179 CB ILE A 81 4.422 -0.106 4.803 1.00 0.00 C ATOM 1180 CG1 ILE A 81 5.258 0.506 3.675 1.00 0.00 C ATOM 1181 CG2 ILE A 81 3.953 -1.501 4.420 1.00 0.00 C ATOM 1182 CD1 ILE A 81 6.726 0.150 3.750 1.00 0.00 C ATOM 0 H ILE A 81 4.633 2.305 5.480 1.00 0.00 H new ATOM 0 HA ILE A 81 2.534 0.797 4.283 1.00 0.00 H new ATOM 0 HB ILE A 81 5.047 -0.185 5.693 1.00 0.00 H new ATOM 0 HG12 ILE A 81 4.860 0.172 2.717 1.00 0.00 H new ATOM 0 HG13 ILE A 81 5.153 1.591 3.703 1.00 0.00 H new ATOM 0 HG21 ILE A 81 4.817 -2.125 4.192 1.00 0.00 H new ATOM 0 HG22 ILE A 81 3.398 -1.939 5.250 1.00 0.00 H new ATOM 0 HG23 ILE A 81 3.307 -1.440 3.544 1.00 0.00 H new ATOM 0 HD11 ILE A 81 7.257 0.617 2.920 1.00 0.00 H new ATOM 0 HD12 ILE A 81 7.139 0.508 4.693 1.00 0.00 H new ATOM 0 HD13 ILE A 81 6.841 -0.932 3.691 1.00 0.00 H new ATOM 1194 N GLN A 82 1.415 -0.486 6.125 1.00 0.00 N ATOM 1195 CA GLN A 82 0.639 -1.073 7.213 1.00 0.00 C ATOM 1196 C GLN A 82 0.559 -2.589 7.067 1.00 0.00 C ATOM 1197 O GLN A 82 0.909 -3.331 7.984 1.00 0.00 O ATOM 1198 CB GLN A 82 -0.768 -0.476 7.243 1.00 0.00 C ATOM 1199 CG GLN A 82 -0.786 1.041 7.339 1.00 0.00 C ATOM 1200 CD GLN A 82 -0.640 1.536 8.765 1.00 0.00 C ATOM 1201 OE1 GLN A 82 -1.630 1.806 9.445 1.00 0.00 O ATOM 1202 NE2 GLN A 82 0.600 1.659 9.225 1.00 0.00 N ATOM 0 H GLN A 82 1.052 -0.685 5.193 1.00 0.00 H new ATOM 0 HA GLN A 82 1.143 -0.843 8.152 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -1.302 -0.781 6.343 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -1.311 -0.891 8.092 1.00 0.00 H new ATOM 0 HG2 GLN A 82 0.022 1.450 6.732 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -1.720 1.417 6.921 1.00 0.00 H new ATOM 0 HE21 GLN A 82 1.392 1.424 8.626 1.00 0.00 H new ATOM 0 HE22 GLN A 82 0.761 1.989 10.177 1.00 0.00 H new ATOM 1211 N PHE A 83 0.093 -3.042 5.907 1.00 0.00 N ATOM 1212 CA PHE A 83 -0.034 -4.471 5.642 1.00 0.00 C ATOM 1213 C PHE A 83 1.118 -4.969 4.775 1.00 0.00 C ATOM 1214 O PHE A 83 1.622 -4.244 3.918 1.00 0.00 O ATOM 1215 CB PHE A 83 -1.368 -4.766 4.954 1.00 0.00 C ATOM 1216 CG PHE A 83 -1.623 -6.231 4.742 1.00 0.00 C ATOM 1217 CD1 PHE A 83 -2.253 -6.986 5.719 1.00 0.00 C ATOM 1218 CD2 PHE A 83 -1.234 -6.853 3.567 1.00 0.00 C ATOM 1219 CE1 PHE A 83 -2.489 -8.335 5.527 1.00 0.00 C ATOM 1220 CE2 PHE A 83 -1.467 -8.200 3.369 1.00 0.00 C ATOM 1221 CZ PHE A 83 -2.095 -8.942 4.351 1.00 0.00 C ATOM 0 H PHE A 83 -0.202 -2.442 5.137 1.00 0.00 H new ATOM 0 HA PHE A 83 0.000 -4.996 6.597 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -2.177 -4.348 5.553 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -1.390 -4.258 3.990 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -2.563 -6.515 6.640 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -0.743 -6.278 2.796 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -2.981 -8.913 6.296 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -1.159 -8.673 2.448 1.00 0.00 H new ATOM 0 HZ PHE A 83 -2.277 -9.996 4.199 1.00 0.00 H new ATOM 1231 N LEU A 84 1.530 -6.212 5.005 1.00 0.00 N ATOM 1232 CA LEU A 84 2.622 -6.808 4.246 1.00 0.00 C ATOM 1233 C LEU A 84 2.474 -8.326 4.180 1.00 0.00 C ATOM 1234 O LEU A 84 2.814 -9.033 5.128 1.00 0.00 O ATOM 1235 CB LEU A 84 3.969 -6.442 4.875 1.00 0.00 C ATOM 1236 CG LEU A 84 4.619 -5.174 4.319 1.00 0.00 C ATOM 1237 CD1 LEU A 84 5.493 -4.516 5.375 1.00 0.00 C ATOM 1238 CD2 LEU A 84 5.433 -5.495 3.074 1.00 0.00 C ATOM 0 H LEU A 84 1.123 -6.825 5.711 1.00 0.00 H new ATOM 0 HA LEU A 84 2.584 -6.412 3.231 1.00 0.00 H new ATOM 0 HB2 LEU A 84 3.830 -6.320 5.949 1.00 0.00 H new ATOM 0 HB3 LEU A 84 4.657 -7.276 4.735 1.00 0.00 H new ATOM 0 HG LEU A 84 3.830 -4.474 4.043 1.00 0.00 H new ATOM 0 HD11 LEU A 84 5.947 -3.615 4.962 1.00 0.00 H new ATOM 0 HD12 LEU A 84 4.883 -4.251 6.239 1.00 0.00 H new ATOM 0 HD13 LEU A 84 6.276 -5.209 5.683 1.00 0.00 H new ATOM 0 HD21 LEU A 84 5.888 -4.582 2.692 1.00 0.00 H new ATOM 0 HD22 LEU A 84 6.214 -6.212 3.325 1.00 0.00 H new ATOM 0 HD23 LEU A 84 4.780 -5.921 2.312 1.00 0.00 H new ATOM 1250 N GLY A 85 1.964 -8.817 3.056 1.00 0.00 N ATOM 1251 CA GLY A 85 1.780 -10.246 2.889 1.00 0.00 C ATOM 1252 C GLY A 85 0.934 -10.584 1.677 1.00 0.00 C ATOM 1253 O GLY A 85 0.897 -9.827 0.706 1.00 0.00 O ATOM 0 H GLY A 85 1.675 -8.251 2.258 1.00 0.00 H new ATOM 0 HA2 GLY A 85 2.754 -10.726 2.794 1.00 0.00 H new ATOM 0 HA3 GLY A 85 1.309 -10.655 3.783 1.00 0.00 H new ATOM 1257 N GLU A 86 0.254 -11.724 1.732 1.00 0.00 N ATOM 1258 CA GLU A 86 -0.595 -12.162 0.631 1.00 0.00 C ATOM 1259 C GLU A 86 -1.979 -11.529 0.726 1.00 0.00 C ATOM 1260 O GLU A 86 -2.295 -10.849 1.702 1.00 0.00 O ATOM 1261 CB GLU A 86 -0.718 -13.687 0.629 1.00 0.00 C ATOM 1262 CG GLU A 86 0.604 -14.404 0.410 1.00 0.00 C ATOM 1263 CD GLU A 86 0.434 -15.898 0.223 1.00 0.00 C ATOM 1264 OE1 GLU A 86 0.038 -16.577 1.193 1.00 0.00 O ATOM 1265 OE2 GLU A 86 0.694 -16.390 -0.895 1.00 0.00 O ATOM 0 H GLU A 86 0.274 -12.362 2.528 1.00 0.00 H new ATOM 0 HA GLU A 86 -0.132 -11.841 -0.302 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -1.144 -14.010 1.579 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -1.417 -13.986 -0.152 1.00 0.00 H new ATOM 0 HG2 GLU A 86 1.099 -13.986 -0.467 1.00 0.00 H new ATOM 0 HG3 GLU A 86 1.258 -14.221 1.263 1.00 0.00 H new ATOM 1272 N THR A 87 -2.802 -11.758 -0.293 1.00 0.00 N ATOM 1273 CA THR A 87 -4.152 -11.210 -0.323 1.00 0.00 C ATOM 1274 C THR A 87 -5.173 -12.296 -0.647 1.00 0.00 C ATOM 1275 O THR A 87 -4.822 -13.467 -0.796 1.00 0.00 O ATOM 1276 CB THR A 87 -4.244 -10.080 -1.348 1.00 0.00 C ATOM 1277 OG1 THR A 87 -3.408 -10.343 -2.461 1.00 0.00 O ATOM 1278 CG2 THR A 87 -3.848 -8.731 -0.786 1.00 0.00 C ATOM 0 H THR A 87 -2.557 -12.319 -1.108 1.00 0.00 H new ATOM 0 HA THR A 87 -4.378 -10.810 0.666 1.00 0.00 H new ATOM 0 HB THR A 87 -5.293 -10.041 -1.643 1.00 0.00 H new ATOM 0 HG1 THR A 87 -2.562 -9.860 -2.356 1.00 0.00 H new ATOM 0 HG21 THR A 87 -3.935 -7.973 -1.564 1.00 0.00 H new ATOM 0 HG22 THR A 87 -4.506 -8.476 0.045 1.00 0.00 H new ATOM 0 HG23 THR A 87 -2.817 -8.772 -0.433 1.00 0.00 H new ATOM 1286 N GLN A 88 -6.438 -11.902 -0.754 1.00 0.00 N ATOM 1287 CA GLN A 88 -7.508 -12.845 -1.058 1.00 0.00 C ATOM 1288 C GLN A 88 -7.974 -12.703 -2.504 1.00 0.00 C ATOM 1289 O GLN A 88 -8.128 -13.695 -3.216 1.00 0.00 O ATOM 1290 CB GLN A 88 -8.689 -12.630 -0.109 1.00 0.00 C ATOM 1291 CG GLN A 88 -8.329 -12.809 1.357 1.00 0.00 C ATOM 1292 CD GLN A 88 -7.956 -14.239 1.695 1.00 0.00 C ATOM 1293 OE1 GLN A 88 -8.045 -15.133 0.853 1.00 0.00 O ATOM 1294 NE2 GLN A 88 -7.535 -14.464 2.934 1.00 0.00 N ATOM 0 H GLN A 88 -6.747 -10.937 -0.635 1.00 0.00 H new ATOM 0 HA GLN A 88 -7.115 -13.852 -0.922 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -9.086 -11.626 -0.257 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -9.485 -13.329 -0.368 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -7.496 -12.152 1.606 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -9.173 -12.502 1.975 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -7.476 -13.694 3.600 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -7.270 -15.407 3.219 1.00 0.00 H new ATOM 1303 N PHE A 89 -8.199 -11.464 -2.931 1.00 0.00 N ATOM 1304 CA PHE A 89 -8.652 -11.196 -4.293 1.00 0.00 C ATOM 1305 C PHE A 89 -7.684 -11.777 -5.320 1.00 0.00 C ATOM 1306 O PHE A 89 -8.082 -12.135 -6.427 1.00 0.00 O ATOM 1307 CB PHE A 89 -8.806 -9.690 -4.515 1.00 0.00 C ATOM 1308 CG PHE A 89 -7.563 -8.904 -4.206 1.00 0.00 C ATOM 1309 CD1 PHE A 89 -6.514 -8.859 -5.110 1.00 0.00 C ATOM 1310 CD2 PHE A 89 -7.445 -8.211 -3.013 1.00 0.00 C ATOM 1311 CE1 PHE A 89 -5.369 -8.137 -4.829 1.00 0.00 C ATOM 1312 CE2 PHE A 89 -6.304 -7.487 -2.726 1.00 0.00 C ATOM 1313 CZ PHE A 89 -5.265 -7.450 -3.636 1.00 0.00 C ATOM 0 H PHE A 89 -8.076 -10.631 -2.355 1.00 0.00 H new ATOM 0 HA PHE A 89 -9.621 -11.678 -4.425 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -9.090 -9.512 -5.552 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -9.622 -9.322 -3.894 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -6.592 -9.394 -6.045 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -8.254 -8.237 -2.299 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -4.558 -8.110 -5.541 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -6.224 -6.951 -1.792 1.00 0.00 H new ATOM 0 HZ PHE A 89 -4.372 -6.884 -3.414 1.00 0.00 H new ATOM 1323 N ALA A 90 -6.412 -11.871 -4.944 1.00 0.00 N ATOM 1324 CA ALA A 90 -5.392 -12.411 -5.835 1.00 0.00 C ATOM 1325 C ALA A 90 -4.151 -12.840 -5.055 1.00 0.00 C ATOM 1326 O ALA A 90 -3.738 -12.165 -4.113 1.00 0.00 O ATOM 1327 CB ALA A 90 -5.022 -11.385 -6.895 1.00 0.00 C ATOM 0 H ALA A 90 -6.064 -11.581 -4.030 1.00 0.00 H new ATOM 0 HA ALA A 90 -5.803 -13.293 -6.326 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -4.260 -11.801 -7.554 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -5.906 -11.130 -7.479 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -4.635 -10.487 -6.413 1.00 0.00 H new ATOM 1333 N PRO A 91 -3.537 -13.975 -5.437 1.00 0.00 N ATOM 1334 CA PRO A 91 -2.340 -14.487 -4.765 1.00 0.00 C ATOM 1335 C PRO A 91 -1.088 -13.697 -5.131 1.00 0.00 C ATOM 1336 O PRO A 91 -1.026 -13.067 -6.187 1.00 0.00 O ATOM 1337 CB PRO A 91 -2.237 -15.921 -5.282 1.00 0.00 C ATOM 1338 CG PRO A 91 -2.867 -15.878 -6.631 1.00 0.00 C ATOM 1339 CD PRO A 91 -3.961 -14.847 -6.550 1.00 0.00 C ATOM 0 HA PRO A 91 -2.415 -14.413 -3.680 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -1.199 -16.249 -5.339 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -2.756 -16.618 -4.624 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -2.136 -15.611 -7.394 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -3.270 -16.853 -6.904 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -4.056 -14.290 -7.482 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -4.930 -15.306 -6.353 1.00 0.00 H new ATOM 1347 N GLY A 92 -0.091 -13.734 -4.252 1.00 0.00 N ATOM 1348 CA GLY A 92 1.145 -13.018 -4.503 1.00 0.00 C ATOM 1349 C GLY A 92 1.585 -12.186 -3.315 1.00 0.00 C ATOM 1350 O GLY A 92 1.328 -12.546 -2.166 1.00 0.00 O ATOM 0 H GLY A 92 -0.118 -14.247 -3.371 1.00 0.00 H new ATOM 0 HA2 GLY A 92 1.930 -13.731 -4.754 1.00 0.00 H new ATOM 0 HA3 GLY A 92 1.016 -12.369 -5.369 1.00 0.00 H new ATOM 1354 N GLN A 93 2.252 -11.070 -3.591 1.00 0.00 N ATOM 1355 CA GLN A 93 2.730 -10.183 -2.537 1.00 0.00 C ATOM 1356 C GLN A 93 2.168 -8.776 -2.713 1.00 0.00 C ATOM 1357 O GLN A 93 2.333 -8.158 -3.764 1.00 0.00 O ATOM 1358 CB GLN A 93 4.260 -10.137 -2.536 1.00 0.00 C ATOM 1359 CG GLN A 93 4.899 -11.194 -1.651 1.00 0.00 C ATOM 1360 CD GLN A 93 5.466 -10.618 -0.368 1.00 0.00 C ATOM 1361 OE1 GLN A 93 6.590 -10.118 -0.341 1.00 0.00 O ATOM 1362 NE2 GLN A 93 4.686 -10.684 0.705 1.00 0.00 N ATOM 0 H GLN A 93 2.474 -10.758 -4.537 1.00 0.00 H new ATOM 0 HA GLN A 93 2.384 -10.576 -1.581 1.00 0.00 H new ATOM 0 HB2 GLN A 93 4.620 -10.264 -3.557 1.00 0.00 H new ATOM 0 HB3 GLN A 93 4.585 -9.151 -2.204 1.00 0.00 H new ATOM 0 HG2 GLN A 93 4.157 -11.954 -1.406 1.00 0.00 H new ATOM 0 HG3 GLN A 93 5.695 -11.692 -2.204 1.00 0.00 H new ATOM 0 HE21 GLN A 93 3.760 -11.107 0.637 1.00 0.00 H new ATOM 0 HE22 GLN A 93 5.013 -10.311 1.597 1.00 0.00 H new ATOM 1371 N TRP A 94 1.504 -8.276 -1.676 1.00 0.00 N ATOM 1372 CA TRP A 94 0.917 -6.942 -1.716 1.00 0.00 C ATOM 1373 C TRP A 94 1.252 -6.161 -0.448 1.00 0.00 C ATOM 1374 O TRP A 94 0.993 -6.624 0.662 1.00 0.00 O ATOM 1375 CB TRP A 94 -0.600 -7.033 -1.888 1.00 0.00 C ATOM 1376 CG TRP A 94 -1.013 -7.686 -3.171 1.00 0.00 C ATOM 1377 CD1 TRP A 94 -1.059 -9.025 -3.433 1.00 0.00 C ATOM 1378 CD2 TRP A 94 -1.441 -7.027 -4.369 1.00 0.00 C ATOM 1379 NE1 TRP A 94 -1.487 -9.240 -4.721 1.00 0.00 N ATOM 1380 CE2 TRP A 94 -1.729 -8.029 -5.316 1.00 0.00 C ATOM 1381 CE3 TRP A 94 -1.609 -5.688 -4.734 1.00 0.00 C ATOM 1382 CZ2 TRP A 94 -2.175 -7.733 -6.601 1.00 0.00 C ATOM 1383 CZ3 TRP A 94 -2.051 -5.396 -6.010 1.00 0.00 C ATOM 1384 CH2 TRP A 94 -2.330 -6.414 -6.930 1.00 0.00 C ATOM 0 H TRP A 94 1.359 -8.775 -0.798 1.00 0.00 H new ATOM 0 HA TRP A 94 1.340 -6.412 -2.569 1.00 0.00 H new ATOM 0 HB2 TRP A 94 -1.020 -7.592 -1.052 1.00 0.00 H new ATOM 0 HB3 TRP A 94 -1.024 -6.030 -1.846 1.00 0.00 H new ATOM 0 HD1 TRP A 94 -0.797 -9.802 -2.730 1.00 0.00 H new ATOM 0 HE1 TRP A 94 -1.605 -10.152 -5.162 1.00 0.00 H new ATOM 0 HE3 TRP A 94 -1.397 -4.896 -4.031 1.00 0.00 H new ATOM 0 HZ2 TRP A 94 -2.391 -8.516 -7.313 1.00 0.00 H new ATOM 0 HZ3 TRP A 94 -2.184 -4.365 -6.303 1.00 0.00 H new ATOM 0 HH2 TRP A 94 -2.675 -6.153 -7.920 1.00 0.00 H new ATOM 1395 N ALA A 95 1.827 -4.976 -0.623 1.00 0.00 N ATOM 1396 CA ALA A 95 2.197 -4.133 0.506 1.00 0.00 C ATOM 1397 C ALA A 95 1.306 -2.898 0.584 1.00 0.00 C ATOM 1398 O ALA A 95 1.410 -1.992 -0.244 1.00 0.00 O ATOM 1399 CB ALA A 95 3.658 -3.725 0.404 1.00 0.00 C ATOM 0 H ALA A 95 2.047 -4.578 -1.536 1.00 0.00 H new ATOM 0 HA ALA A 95 2.055 -4.710 1.420 1.00 0.00 H new ATOM 0 HB1 ALA A 95 3.920 -3.095 1.254 1.00 0.00 H new ATOM 0 HB2 ALA A 95 4.286 -4.616 0.405 1.00 0.00 H new ATOM 0 HB3 ALA A 95 3.817 -3.170 -0.521 1.00 0.00 H new ATOM 1405 N GLY A 96 0.430 -2.868 1.583 1.00 0.00 N ATOM 1406 CA GLY A 96 -0.466 -1.739 1.749 1.00 0.00 C ATOM 1407 C GLY A 96 0.229 -0.530 2.343 1.00 0.00 C ATOM 1408 O GLY A 96 0.947 -0.644 3.337 1.00 0.00 O ATOM 0 H GLY A 96 0.325 -3.605 2.280 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -0.891 -1.471 0.782 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -1.296 -2.030 2.393 1.00 0.00 H new ATOM 1412 N ILE A 97 0.017 0.631 1.733 1.00 0.00 N ATOM 1413 CA ILE A 97 0.629 1.867 2.208 1.00 0.00 C ATOM 1414 C ILE A 97 -0.416 2.961 2.397 1.00 0.00 C ATOM 1415 O ILE A 97 -1.383 3.047 1.641 1.00 0.00 O ATOM 1416 CB ILE A 97 1.711 2.369 1.231 1.00 0.00 C ATOM 1417 CG1 ILE A 97 2.672 1.234 0.867 1.00 0.00 C ATOM 1418 CG2 ILE A 97 2.469 3.541 1.840 1.00 0.00 C ATOM 1419 CD1 ILE A 97 2.704 0.922 -0.613 1.00 0.00 C ATOM 0 H ILE A 97 -0.574 0.742 0.909 1.00 0.00 H new ATOM 0 HA ILE A 97 1.093 1.642 3.168 1.00 0.00 H new ATOM 0 HB ILE A 97 1.225 2.710 0.317 1.00 0.00 H new ATOM 0 HG12 ILE A 97 3.677 1.500 1.196 1.00 0.00 H new ATOM 0 HG13 ILE A 97 2.385 0.336 1.414 1.00 0.00 H new ATOM 0 HG21 ILE A 97 3.230 3.886 1.140 1.00 0.00 H new ATOM 0 HG22 ILE A 97 1.774 4.354 2.050 1.00 0.00 H new ATOM 0 HG23 ILE A 97 2.946 3.223 2.767 1.00 0.00 H new ATOM 0 HD11 ILE A 97 3.405 0.109 -0.798 1.00 0.00 H new ATOM 0 HD12 ILE A 97 1.709 0.625 -0.944 1.00 0.00 H new ATOM 0 HD13 ILE A 97 3.021 1.807 -1.165 1.00 0.00 H new ATOM 1431 N VAL A 98 -0.214 3.794 3.413 1.00 0.00 N ATOM 1432 CA VAL A 98 -1.138 4.884 3.703 1.00 0.00 C ATOM 1433 C VAL A 98 -0.508 6.236 3.387 1.00 0.00 C ATOM 1434 O VAL A 98 0.458 6.647 4.029 1.00 0.00 O ATOM 1435 CB VAL A 98 -1.580 4.869 5.179 1.00 0.00 C ATOM 1436 CG1 VAL A 98 -2.684 5.886 5.416 1.00 0.00 C ATOM 1437 CG2 VAL A 98 -2.033 3.475 5.585 1.00 0.00 C ATOM 0 H VAL A 98 0.581 3.735 4.049 1.00 0.00 H new ATOM 0 HA VAL A 98 -2.012 4.735 3.069 1.00 0.00 H new ATOM 0 HB VAL A 98 -0.726 5.144 5.798 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -2.983 5.861 6.464 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -2.320 6.883 5.166 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -3.542 5.645 4.788 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -2.342 3.483 6.630 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -2.873 3.169 4.961 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -1.210 2.773 5.455 1.00 0.00 H new ATOM 1447 N LEU A 99 -1.062 6.924 2.395 1.00 0.00 N ATOM 1448 CA LEU A 99 -0.556 8.230 1.993 1.00 0.00 C ATOM 1449 C LEU A 99 -0.926 9.297 3.018 1.00 0.00 C ATOM 1450 O LEU A 99 -1.666 9.032 3.965 1.00 0.00 O ATOM 1451 CB LEU A 99 -1.106 8.612 0.618 1.00 0.00 C ATOM 1452 CG LEU A 99 -1.017 7.513 -0.441 1.00 0.00 C ATOM 1453 CD1 LEU A 99 -1.891 7.853 -1.639 1.00 0.00 C ATOM 1454 CD2 LEU A 99 0.426 7.305 -0.874 1.00 0.00 C ATOM 0 H LEU A 99 -1.863 6.598 1.854 1.00 0.00 H new ATOM 0 HA LEU A 99 0.531 8.169 1.937 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -2.150 8.905 0.729 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -0.566 9.488 0.258 1.00 0.00 H new ATOM 0 HG LEU A 99 -1.382 6.584 -0.003 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -1.815 7.059 -2.382 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -2.928 7.950 -1.317 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -1.558 8.794 -2.077 1.00 0.00 H new ATOM 0 HD21 LEU A 99 0.470 6.519 -1.628 1.00 0.00 H new ATOM 0 HD22 LEU A 99 0.817 8.232 -1.293 1.00 0.00 H new ATOM 0 HD23 LEU A 99 1.026 7.015 -0.012 1.00 0.00 H new ATOM 1466 N ASP A 100 -0.406 10.504 2.823 1.00 0.00 N ATOM 1467 CA ASP A 100 -0.681 11.612 3.731 1.00 0.00 C ATOM 1468 C ASP A 100 -1.822 12.477 3.207 1.00 0.00 C ATOM 1469 O ASP A 100 -2.583 13.054 3.984 1.00 0.00 O ATOM 1470 CB ASP A 100 0.576 12.464 3.922 1.00 0.00 C ATOM 1471 CG ASP A 100 0.699 13.005 5.333 1.00 0.00 C ATOM 1472 OD1 ASP A 100 0.454 12.236 6.287 1.00 0.00 O ATOM 1473 OD2 ASP A 100 1.039 14.197 5.485 1.00 0.00 O ATOM 0 H ASP A 100 0.209 10.740 2.044 1.00 0.00 H new ATOM 0 HA ASP A 100 -0.980 11.195 4.693 1.00 0.00 H new ATOM 0 HB2 ASP A 100 1.456 11.866 3.687 1.00 0.00 H new ATOM 0 HB3 ASP A 100 0.559 13.295 3.217 1.00 0.00 H new ATOM 1478 N GLU A 101 -1.935 12.564 1.886 1.00 0.00 N ATOM 1479 CA GLU A 101 -2.983 13.361 1.259 1.00 0.00 C ATOM 1480 C GLU A 101 -4.013 12.466 0.573 1.00 0.00 C ATOM 1481 O GLU A 101 -3.702 11.344 0.171 1.00 0.00 O ATOM 1482 CB GLU A 101 -2.378 14.330 0.243 1.00 0.00 C ATOM 1483 CG GLU A 101 -1.383 15.306 0.851 1.00 0.00 C ATOM 1484 CD GLU A 101 -2.010 16.645 1.186 1.00 0.00 C ATOM 1485 OE1 GLU A 101 -2.989 16.666 1.961 1.00 0.00 O ATOM 1486 OE2 GLU A 101 -1.523 17.674 0.670 1.00 0.00 O ATOM 0 H GLU A 101 -1.314 12.092 1.229 1.00 0.00 H new ATOM 0 HA GLU A 101 -3.486 13.931 2.040 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -1.881 13.758 -0.541 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -3.181 14.892 -0.233 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -0.960 14.871 1.756 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -0.558 15.459 0.155 1.00 0.00 H new ATOM 1493 N PRO A 102 -5.258 12.952 0.430 1.00 0.00 N ATOM 1494 CA PRO A 102 -6.333 12.191 -0.211 1.00 0.00 C ATOM 1495 C PRO A 102 -6.133 12.057 -1.717 1.00 0.00 C ATOM 1496 O PRO A 102 -6.949 12.529 -2.509 1.00 0.00 O ATOM 1497 CB PRO A 102 -7.583 13.020 0.093 1.00 0.00 C ATOM 1498 CG PRO A 102 -7.080 14.410 0.267 1.00 0.00 C ATOM 1499 CD PRO A 102 -5.712 14.282 0.881 1.00 0.00 C ATOM 0 HA PRO A 102 -6.384 11.167 0.159 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -8.306 12.959 -0.720 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -8.085 12.665 0.993 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -7.031 14.930 -0.690 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -7.744 14.988 0.910 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -5.043 15.072 0.540 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -5.752 14.346 1.968 1.00 0.00 H new ATOM 1507 N ILE A 103 -5.040 11.410 -2.108 1.00 0.00 N ATOM 1508 CA ILE A 103 -4.730 11.211 -3.518 1.00 0.00 C ATOM 1509 C ILE A 103 -4.914 9.752 -3.924 1.00 0.00 C ATOM 1510 O ILE A 103 -5.101 9.446 -5.102 1.00 0.00 O ATOM 1511 CB ILE A 103 -3.289 11.647 -3.846 1.00 0.00 C ATOM 1512 CG1 ILE A 103 -2.307 11.044 -2.840 1.00 0.00 C ATOM 1513 CG2 ILE A 103 -3.182 13.164 -3.855 1.00 0.00 C ATOM 1514 CD1 ILE A 103 -0.857 11.337 -3.160 1.00 0.00 C ATOM 0 H ILE A 103 -4.353 11.014 -1.466 1.00 0.00 H new ATOM 0 HA ILE A 103 -5.426 11.832 -4.083 1.00 0.00 H new ATOM 0 HB ILE A 103 -3.033 11.279 -4.839 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -2.536 11.428 -1.846 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -2.452 9.964 -2.806 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -2.158 13.455 -4.088 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -3.856 13.572 -4.609 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -3.456 13.554 -2.875 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -0.218 10.879 -2.405 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -0.611 10.928 -4.140 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -0.696 12.415 -3.166 1.00 0.00 H new ATOM 1526 N GLY A 104 -4.861 8.855 -2.944 1.00 0.00 N ATOM 1527 CA GLY A 104 -5.024 7.440 -3.223 1.00 0.00 C ATOM 1528 C GLY A 104 -6.366 7.125 -3.855 1.00 0.00 C ATOM 1529 O GLY A 104 -7.006 8.000 -4.437 1.00 0.00 O ATOM 0 H GLY A 104 -4.708 9.083 -1.962 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -4.226 7.110 -3.888 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -4.921 6.876 -2.296 1.00 0.00 H new ATOM 1533 N LYS A 105 -6.792 5.871 -3.741 1.00 0.00 N ATOM 1534 CA LYS A 105 -8.066 5.443 -4.308 1.00 0.00 C ATOM 1535 C LYS A 105 -8.761 4.441 -3.391 1.00 0.00 C ATOM 1536 O LYS A 105 -9.951 4.568 -3.106 1.00 0.00 O ATOM 1537 CB LYS A 105 -7.849 4.822 -5.689 1.00 0.00 C ATOM 1538 CG LYS A 105 -7.536 5.842 -6.773 1.00 0.00 C ATOM 1539 CD LYS A 105 -6.258 5.493 -7.520 1.00 0.00 C ATOM 1540 CE LYS A 105 -5.413 6.728 -7.789 1.00 0.00 C ATOM 1541 NZ LYS A 105 -6.143 7.733 -8.609 1.00 0.00 N ATOM 0 H LYS A 105 -6.274 5.134 -3.262 1.00 0.00 H new ATOM 0 HA LYS A 105 -8.705 6.321 -4.407 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -7.031 4.104 -5.631 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -8.742 4.266 -5.972 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -8.367 5.892 -7.477 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -7.438 6.831 -6.325 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -5.680 4.775 -6.938 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -6.508 5.010 -8.464 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -5.117 7.179 -6.842 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -4.497 6.436 -8.303 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -5.505 8.521 -8.841 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -6.477 7.288 -9.487 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -6.957 8.094 -8.072 1.00 0.00 H new ATOM 1555 N ASN A 106 -8.009 3.445 -2.933 1.00 0.00 N ATOM 1556 CA ASN A 106 -8.554 2.422 -2.048 1.00 0.00 C ATOM 1557 C ASN A 106 -8.658 2.939 -0.617 1.00 0.00 C ATOM 1558 O ASN A 106 -8.274 4.071 -0.327 1.00 0.00 O ATOM 1559 CB ASN A 106 -7.681 1.164 -2.093 1.00 0.00 C ATOM 1560 CG ASN A 106 -8.439 -0.050 -2.592 1.00 0.00 C ATOM 1561 OD1 ASN A 106 -9.503 -0.388 -2.074 1.00 0.00 O ATOM 1562 ND2 ASN A 106 -7.893 -0.714 -3.604 1.00 0.00 N ATOM 0 H ASN A 106 -7.022 3.325 -3.160 1.00 0.00 H new ATOM 0 HA ASN A 106 -9.557 2.171 -2.394 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -6.823 1.344 -2.740 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -7.291 0.960 -1.096 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -8.358 -1.540 -3.982 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -7.009 -0.398 -4.003 1.00 0.00 H new ATOM 1569 N ASP A 107 -9.179 2.100 0.274 1.00 0.00 N ATOM 1570 CA ASP A 107 -9.332 2.473 1.675 1.00 0.00 C ATOM 1571 C ASP A 107 -8.882 1.340 2.593 1.00 0.00 C ATOM 1572 O ASP A 107 -9.406 1.176 3.695 1.00 0.00 O ATOM 1573 CB ASP A 107 -10.789 2.835 1.972 1.00 0.00 C ATOM 1574 CG ASP A 107 -11.371 3.782 0.939 1.00 0.00 C ATOM 1575 OD1 ASP A 107 -11.594 3.343 -0.209 1.00 0.00 O ATOM 1576 OD2 ASP A 107 -11.605 4.960 1.280 1.00 0.00 O ATOM 0 H ASP A 107 -9.502 1.159 0.050 1.00 0.00 H new ATOM 0 HA ASP A 107 -8.702 3.342 1.864 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -11.388 1.925 2.005 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -10.853 3.294 2.959 1.00 0.00 H new ATOM 1581 N GLY A 108 -7.909 0.562 2.132 1.00 0.00 N ATOM 1582 CA GLY A 108 -7.405 -0.544 2.923 1.00 0.00 C ATOM 1583 C GLY A 108 -8.412 -1.669 3.055 1.00 0.00 C ATOM 1584 O GLY A 108 -8.514 -2.299 4.108 1.00 0.00 O ATOM 0 H GLY A 108 -7.460 0.678 1.223 1.00 0.00 H new ATOM 0 HA2 GLY A 108 -6.494 -0.928 2.465 1.00 0.00 H new ATOM 0 HA3 GLY A 108 -7.136 -0.183 3.916 1.00 0.00 H new ATOM 1588 N SER A 109 -9.158 -1.923 1.985 1.00 0.00 N ATOM 1589 CA SER A 109 -10.163 -2.979 1.985 1.00 0.00 C ATOM 1590 C SER A 109 -10.446 -3.461 0.566 1.00 0.00 C ATOM 1591 O SER A 109 -10.456 -2.669 -0.378 1.00 0.00 O ATOM 1592 CB SER A 109 -11.455 -2.484 2.636 1.00 0.00 C ATOM 1593 OG SER A 109 -12.224 -1.716 1.725 1.00 0.00 O ATOM 0 H SER A 109 -9.085 -1.411 1.106 1.00 0.00 H new ATOM 0 HA SER A 109 -9.773 -3.817 2.563 1.00 0.00 H new ATOM 0 HB2 SER A 109 -12.040 -3.335 2.983 1.00 0.00 H new ATOM 0 HB3 SER A 109 -11.217 -1.882 3.513 1.00 0.00 H new ATOM 0 HG SER A 109 -13.046 -1.413 2.165 1.00 0.00 H new ATOM 1599 N VAL A 110 -10.676 -4.761 0.421 1.00 0.00 N ATOM 1600 CA VAL A 110 -10.959 -5.347 -0.884 1.00 0.00 C ATOM 1601 C VAL A 110 -11.916 -6.528 -0.760 1.00 0.00 C ATOM 1602 O VAL A 110 -11.605 -7.525 -0.109 1.00 0.00 O ATOM 1603 CB VAL A 110 -9.670 -5.817 -1.581 1.00 0.00 C ATOM 1604 CG1 VAL A 110 -9.958 -6.236 -3.014 1.00 0.00 C ATOM 1605 CG2 VAL A 110 -8.612 -4.725 -1.540 1.00 0.00 C ATOM 0 H VAL A 110 -10.672 -5.430 1.191 1.00 0.00 H new ATOM 0 HA VAL A 110 -11.424 -4.567 -1.486 1.00 0.00 H new ATOM 0 HB VAL A 110 -9.286 -6.684 -1.044 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -9.034 -6.565 -3.490 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -10.678 -7.054 -3.016 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -10.368 -5.390 -3.565 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -7.708 -5.076 -2.038 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -8.986 -3.837 -2.050 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -8.383 -4.479 -0.503 1.00 0.00 H new ATOM 1615 N ALA A 111 -13.080 -6.408 -1.391 1.00 0.00 N ATOM 1616 CA ALA A 111 -14.082 -7.467 -1.352 1.00 0.00 C ATOM 1617 C ALA A 111 -14.514 -7.763 0.079 1.00 0.00 C ATOM 1618 O ALA A 111 -14.732 -8.917 0.446 1.00 0.00 O ATOM 1619 CB ALA A 111 -13.544 -8.726 -2.015 1.00 0.00 C ATOM 0 H ALA A 111 -13.352 -5.589 -1.935 1.00 0.00 H new ATOM 0 HA ALA A 111 -14.958 -7.125 -1.903 1.00 0.00 H new ATOM 0 HB1 ALA A 111 -14.302 -9.509 -1.979 1.00 0.00 H new ATOM 0 HB2 ALA A 111 -13.293 -8.511 -3.054 1.00 0.00 H new ATOM 0 HB3 ALA A 111 -12.651 -9.062 -1.488 1.00 0.00 H new ATOM 1625 N GLY A 112 -14.635 -6.713 0.885 1.00 0.00 N ATOM 1626 CA GLY A 112 -15.041 -6.882 2.268 1.00 0.00 C ATOM 1627 C GLY A 112 -13.956 -7.513 3.117 1.00 0.00 C ATOM 1628 O GLY A 112 -14.245 -8.182 4.110 1.00 0.00 O ATOM 0 H GLY A 112 -14.459 -5.748 0.605 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -15.307 -5.911 2.687 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -15.936 -7.503 2.308 1.00 0.00 H new ATOM 1632 N VAL A 113 -12.703 -7.300 2.729 1.00 0.00 N ATOM 1633 CA VAL A 113 -11.571 -7.852 3.462 1.00 0.00 C ATOM 1634 C VAL A 113 -10.609 -6.752 3.898 1.00 0.00 C ATOM 1635 O VAL A 113 -9.794 -6.277 3.107 1.00 0.00 O ATOM 1636 CB VAL A 113 -10.801 -8.883 2.615 1.00 0.00 C ATOM 1637 CG1 VAL A 113 -9.752 -9.592 3.458 1.00 0.00 C ATOM 1638 CG2 VAL A 113 -11.760 -9.885 1.991 1.00 0.00 C ATOM 0 H VAL A 113 -12.446 -6.748 1.910 1.00 0.00 H new ATOM 0 HA VAL A 113 -11.978 -8.347 4.344 1.00 0.00 H new ATOM 0 HB VAL A 113 -10.290 -8.354 1.810 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -9.219 -10.316 2.842 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -9.046 -8.861 3.851 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -10.238 -10.108 4.286 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -11.198 -10.605 1.397 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -12.302 -10.409 2.778 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -12.469 -9.360 1.350 1.00 0.00 H new ATOM 1648 N ARG A 114 -10.710 -6.350 5.161 1.00 0.00 N ATOM 1649 CA ARG A 114 -9.850 -5.305 5.702 1.00 0.00 C ATOM 1650 C ARG A 114 -8.459 -5.852 6.012 1.00 0.00 C ATOM 1651 O ARG A 114 -8.313 -6.800 6.784 1.00 0.00 O ATOM 1652 CB ARG A 114 -10.471 -4.708 6.967 1.00 0.00 C ATOM 1653 CG ARG A 114 -10.316 -3.199 7.067 1.00 0.00 C ATOM 1654 CD ARG A 114 -11.499 -2.473 6.444 1.00 0.00 C ATOM 1655 NE ARG A 114 -12.006 -1.409 7.308 1.00 0.00 N ATOM 1656 CZ ARG A 114 -11.435 -0.212 7.424 1.00 0.00 C ATOM 1657 NH1 ARG A 114 -10.338 0.078 6.734 1.00 0.00 N ATOM 1658 NH2 ARG A 114 -11.961 0.697 8.233 1.00 0.00 N ATOM 0 H ARG A 114 -11.379 -6.733 5.829 1.00 0.00 H new ATOM 0 HA ARG A 114 -9.753 -4.522 4.950 1.00 0.00 H new ATOM 0 HB2 ARG A 114 -11.531 -4.959 6.994 1.00 0.00 H new ATOM 0 HB3 ARG A 114 -10.012 -5.171 7.840 1.00 0.00 H new ATOM 0 HG2 ARG A 114 -10.222 -2.911 8.114 1.00 0.00 H new ATOM 0 HG3 ARG A 114 -9.397 -2.893 6.568 1.00 0.00 H new ATOM 0 HD2 ARG A 114 -11.200 -2.050 5.485 1.00 0.00 H new ATOM 0 HD3 ARG A 114 -12.297 -3.187 6.242 1.00 0.00 H new ATOM 0 HE ARG A 114 -12.847 -1.594 7.854 1.00 0.00 H new ATOM 0 HH11 ARG A 114 -9.928 -0.618 6.111 1.00 0.00 H new ATOM 0 HH12 ARG A 114 -9.905 0.997 6.827 1.00 0.00 H new ATOM 0 HH21 ARG A 114 -12.803 0.479 8.766 1.00 0.00 H new ATOM 0 HH22 ARG A 114 -11.524 1.614 8.322 1.00 0.00 H new ATOM 1672 N TYR A 115 -7.443 -5.248 5.405 1.00 0.00 N ATOM 1673 CA TYR A 115 -6.064 -5.675 5.616 1.00 0.00 C ATOM 1674 C TYR A 115 -5.346 -4.739 6.583 1.00 0.00 C ATOM 1675 O TYR A 115 -4.563 -5.180 7.423 1.00 0.00 O ATOM 1676 CB TYR A 115 -5.315 -5.726 4.285 1.00 0.00 C ATOM 1677 CG TYR A 115 -5.878 -6.735 3.310 1.00 0.00 C ATOM 1678 CD1 TYR A 115 -6.908 -6.392 2.443 1.00 0.00 C ATOM 1679 CD2 TYR A 115 -5.379 -8.030 3.256 1.00 0.00 C ATOM 1680 CE1 TYR A 115 -7.427 -7.312 1.552 1.00 0.00 C ATOM 1681 CE2 TYR A 115 -5.891 -8.956 2.367 1.00 0.00 C ATOM 1682 CZ TYR A 115 -6.914 -8.592 1.518 1.00 0.00 C ATOM 1683 OH TYR A 115 -7.428 -9.511 0.631 1.00 0.00 O ATOM 0 H TYR A 115 -7.548 -4.462 4.763 1.00 0.00 H new ATOM 0 HA TYR A 115 -6.082 -6.674 6.053 1.00 0.00 H new ATOM 0 HB2 TYR A 115 -5.339 -4.738 3.826 1.00 0.00 H new ATOM 0 HB3 TYR A 115 -4.268 -5.963 4.476 1.00 0.00 H new ATOM 0 HD1 TYR A 115 -7.310 -5.390 2.466 1.00 0.00 H new ATOM 0 HD2 TYR A 115 -4.577 -8.318 3.920 1.00 0.00 H new ATOM 0 HE1 TYR A 115 -8.229 -7.031 0.886 1.00 0.00 H new ATOM 0 HE2 TYR A 115 -5.492 -9.959 2.338 1.00 0.00 H new ATOM 0 HH TYR A 115 -7.755 -9.047 -0.168 1.00 0.00 H new ATOM 1693 N PHE A 116 -5.619 -3.444 6.456 1.00 0.00 N ATOM 1694 CA PHE A 116 -4.998 -2.444 7.317 1.00 0.00 C ATOM 1695 C PHE A 116 -5.873 -1.199 7.422 1.00 0.00 C ATOM 1696 O PHE A 116 -6.217 -0.584 6.412 1.00 0.00 O ATOM 1697 CB PHE A 116 -3.616 -2.069 6.782 1.00 0.00 C ATOM 1698 CG PHE A 116 -3.651 -1.421 5.432 1.00 0.00 C ATOM 1699 CD1 PHE A 116 -3.634 -2.194 4.283 1.00 0.00 C ATOM 1700 CD2 PHE A 116 -3.698 -0.043 5.311 1.00 0.00 C ATOM 1701 CE1 PHE A 116 -3.662 -1.605 3.038 1.00 0.00 C ATOM 1702 CE2 PHE A 116 -3.727 0.552 4.066 1.00 0.00 C ATOM 1703 CZ PHE A 116 -3.709 -0.230 2.929 1.00 0.00 C ATOM 0 H PHE A 116 -6.266 -3.063 5.765 1.00 0.00 H new ATOM 0 HA PHE A 116 -4.889 -2.873 8.313 1.00 0.00 H new ATOM 0 HB2 PHE A 116 -3.134 -1.393 7.488 1.00 0.00 H new ATOM 0 HB3 PHE A 116 -3.000 -2.967 6.729 1.00 0.00 H new ATOM 0 HD1 PHE A 116 -3.598 -3.270 4.364 1.00 0.00 H new ATOM 0 HD2 PHE A 116 -3.712 0.572 6.199 1.00 0.00 H new ATOM 0 HE1 PHE A 116 -3.647 -2.218 2.149 1.00 0.00 H new ATOM 0 HE2 PHE A 116 -3.764 1.628 3.982 1.00 0.00 H new ATOM 0 HZ PHE A 116 -3.732 0.234 1.954 1.00 0.00 H new ATOM 1713 N GLN A 117 -6.229 -0.832 8.649 1.00 0.00 N ATOM 1714 CA GLN A 117 -7.063 0.341 8.883 1.00 0.00 C ATOM 1715 C GLN A 117 -6.323 1.620 8.506 1.00 0.00 C ATOM 1716 O GLN A 117 -5.223 1.881 8.997 1.00 0.00 O ATOM 1717 CB GLN A 117 -7.496 0.401 10.350 1.00 0.00 C ATOM 1718 CG GLN A 117 -8.825 1.106 10.564 1.00 0.00 C ATOM 1719 CD GLN A 117 -8.779 2.571 10.176 1.00 0.00 C ATOM 1720 OE1 GLN A 117 -8.316 3.414 10.943 1.00 0.00 O ATOM 1721 NE2 GLN A 117 -9.262 2.880 8.978 1.00 0.00 N ATOM 0 H GLN A 117 -5.953 -1.330 9.496 1.00 0.00 H new ATOM 0 HA GLN A 117 -7.949 0.257 8.253 1.00 0.00 H new ATOM 0 HB2 GLN A 117 -7.566 -0.614 10.741 1.00 0.00 H new ATOM 0 HB3 GLN A 117 -6.726 0.913 10.927 1.00 0.00 H new ATOM 0 HG2 GLN A 117 -9.596 0.604 9.980 1.00 0.00 H new ATOM 0 HG3 GLN A 117 -9.112 1.021 11.612 1.00 0.00 H new ATOM 0 HE21 GLN A 117 -9.636 2.148 8.375 1.00 0.00 H new ATOM 0 HE22 GLN A 117 -9.258 3.850 8.661 1.00 0.00 H new ATOM 1730 N CYS A 118 -6.930 2.414 7.632 1.00 0.00 N ATOM 1731 CA CYS A 118 -6.330 3.666 7.188 1.00 0.00 C ATOM 1732 C CYS A 118 -7.404 4.693 6.842 1.00 0.00 C ATOM 1733 O CYS A 118 -8.599 4.409 6.933 1.00 0.00 O ATOM 1734 CB CYS A 118 -5.432 3.423 5.973 1.00 0.00 C ATOM 1735 SG CYS A 118 -6.312 2.816 4.515 1.00 0.00 S ATOM 0 H CYS A 118 -7.839 2.212 7.216 1.00 0.00 H new ATOM 0 HA CYS A 118 -5.726 4.060 8.006 1.00 0.00 H new ATOM 0 HB2 CYS A 118 -4.925 4.354 5.717 1.00 0.00 H new ATOM 0 HB3 CYS A 118 -4.659 2.703 6.244 1.00 0.00 H new ATOM 0 HG CYS A 118 -5.652 1.826 3.991 1.00 0.00 H new ATOM 1741 N GLU A 119 -6.973 5.886 6.447 1.00 0.00 N ATOM 1742 CA GLU A 119 -7.900 6.952 6.088 1.00 0.00 C ATOM 1743 C GLU A 119 -8.392 6.784 4.651 1.00 0.00 C ATOM 1744 O GLU A 119 -7.684 6.239 3.805 1.00 0.00 O ATOM 1745 CB GLU A 119 -7.231 8.318 6.255 1.00 0.00 C ATOM 1746 CG GLU A 119 -6.923 8.669 7.702 1.00 0.00 C ATOM 1747 CD GLU A 119 -6.866 10.166 7.938 1.00 0.00 C ATOM 1748 OE1 GLU A 119 -7.899 10.838 7.740 1.00 0.00 O ATOM 1749 OE2 GLU A 119 -5.788 10.665 8.323 1.00 0.00 O ATOM 0 H GLU A 119 -5.988 6.139 6.367 1.00 0.00 H new ATOM 0 HA GLU A 119 -8.759 6.893 6.757 1.00 0.00 H new ATOM 0 HB2 GLU A 119 -6.305 8.333 5.681 1.00 0.00 H new ATOM 0 HB3 GLU A 119 -7.880 9.086 5.833 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -7.684 8.231 8.348 1.00 0.00 H new ATOM 0 HG3 GLU A 119 -5.969 8.223 7.985 1.00 0.00 H new ATOM 1756 N PRO A 120 -9.618 7.250 4.357 1.00 0.00 N ATOM 1757 CA PRO A 120 -10.201 7.146 3.014 1.00 0.00 C ATOM 1758 C PRO A 120 -9.368 7.870 1.962 1.00 0.00 C ATOM 1759 O PRO A 120 -8.805 8.933 2.225 1.00 0.00 O ATOM 1760 CB PRO A 120 -11.573 7.816 3.157 1.00 0.00 C ATOM 1761 CG PRO A 120 -11.864 7.801 4.618 1.00 0.00 C ATOM 1762 CD PRO A 120 -10.533 7.909 5.304 1.00 0.00 C ATOM 0 HA PRO A 120 -10.253 6.110 2.678 1.00 0.00 H new ATOM 0 HB2 PRO A 120 -11.556 8.835 2.769 1.00 0.00 H new ATOM 0 HB3 PRO A 120 -12.336 7.274 2.598 1.00 0.00 H new ATOM 0 HG2 PRO A 120 -12.515 8.630 4.895 1.00 0.00 H new ATOM 0 HG3 PRO A 120 -12.378 6.883 4.905 1.00 0.00 H new ATOM 0 HD2 PRO A 120 -10.253 8.948 5.480 1.00 0.00 H new ATOM 0 HD3 PRO A 120 -10.537 7.411 6.274 1.00 0.00 H new ATOM 1770 N LEU A 121 -9.295 7.287 0.770 1.00 0.00 N ATOM 1771 CA LEU A 121 -8.535 7.878 -0.327 1.00 0.00 C ATOM 1772 C LEU A 121 -7.056 7.996 0.028 1.00 0.00 C ATOM 1773 O LEU A 121 -6.413 9.001 -0.273 1.00 0.00 O ATOM 1774 CB LEU A 121 -9.099 9.255 -0.681 1.00 0.00 C ATOM 1775 CG LEU A 121 -10.625 9.360 -0.651 1.00 0.00 C ATOM 1776 CD1 LEU A 121 -11.058 10.814 -0.540 1.00 0.00 C ATOM 1777 CD2 LEU A 121 -11.226 8.715 -1.890 1.00 0.00 C ATOM 0 H LEU A 121 -9.753 6.405 0.538 1.00 0.00 H new ATOM 0 HA LEU A 121 -8.627 7.220 -1.191 1.00 0.00 H new ATOM 0 HB2 LEU A 121 -8.686 9.988 0.012 1.00 0.00 H new ATOM 0 HB3 LEU A 121 -8.751 9.527 -1.678 1.00 0.00 H new ATOM 0 HG LEU A 121 -10.991 8.826 0.226 1.00 0.00 H new ATOM 0 HD11 LEU A 121 -12.146 10.869 -0.520 1.00 0.00 H new ATOM 0 HD12 LEU A 121 -10.656 11.244 0.377 1.00 0.00 H new ATOM 0 HD13 LEU A 121 -10.682 11.372 -1.398 1.00 0.00 H new ATOM 0 HD21 LEU A 121 -12.312 8.798 -1.853 1.00 0.00 H new ATOM 0 HD22 LEU A 121 -10.853 9.221 -2.781 1.00 0.00 H new ATOM 0 HD23 LEU A 121 -10.944 7.663 -1.926 1.00 0.00 H new ATOM 1789 N LYS A 122 -6.519 6.961 0.669 1.00 0.00 N ATOM 1790 CA LYS A 122 -5.115 6.951 1.061 1.00 0.00 C ATOM 1791 C LYS A 122 -4.523 5.551 0.925 1.00 0.00 C ATOM 1792 O LYS A 122 -3.441 5.376 0.365 1.00 0.00 O ATOM 1793 CB LYS A 122 -4.958 7.451 2.497 1.00 0.00 C ATOM 1794 CG LYS A 122 -4.638 8.934 2.592 1.00 0.00 C ATOM 1795 CD LYS A 122 -5.428 9.607 3.704 1.00 0.00 C ATOM 1796 CE LYS A 122 -5.655 11.080 3.411 1.00 0.00 C ATOM 1797 NZ LYS A 122 -5.670 11.899 4.653 1.00 0.00 N ATOM 0 H LYS A 122 -7.035 6.120 0.927 1.00 0.00 H new ATOM 0 HA LYS A 122 -4.573 7.621 0.394 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -5.878 7.250 3.046 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -4.165 6.884 2.986 1.00 0.00 H new ATOM 0 HG2 LYS A 122 -3.571 9.066 2.772 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -4.863 9.417 1.641 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -6.389 9.106 3.824 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -4.893 9.501 4.648 1.00 0.00 H new ATOM 0 HE2 LYS A 122 -4.870 11.443 2.747 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -6.601 11.203 2.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -5.828 12.898 4.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -6.435 11.570 5.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -4.758 11.802 5.144 1.00 0.00 H new ATOM 1811 N GLY A 123 -5.241 4.558 1.441 1.00 0.00 N ATOM 1812 CA GLY A 123 -4.769 3.189 1.364 1.00 0.00 C ATOM 1813 C GLY A 123 -4.739 2.668 -0.059 1.00 0.00 C ATOM 1814 O GLY A 123 -5.777 2.574 -0.715 1.00 0.00 O ATOM 0 H GLY A 123 -6.139 4.677 1.910 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -3.768 3.128 1.792 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -5.413 2.551 1.968 1.00 0.00 H new ATOM 1818 N ILE A 124 -3.547 2.329 -0.539 1.00 0.00 N ATOM 1819 CA ILE A 124 -3.386 1.818 -1.895 1.00 0.00 C ATOM 1820 C ILE A 124 -2.551 0.540 -1.904 1.00 0.00 C ATOM 1821 O ILE A 124 -1.534 0.446 -1.218 1.00 0.00 O ATOM 1822 CB ILE A 124 -2.725 2.865 -2.815 1.00 0.00 C ATOM 1823 CG1 ILE A 124 -2.655 2.346 -4.252 1.00 0.00 C ATOM 1824 CG2 ILE A 124 -1.337 3.222 -2.305 1.00 0.00 C ATOM 1825 CD1 ILE A 124 -2.638 3.445 -5.292 1.00 0.00 C ATOM 0 H ILE A 124 -2.678 2.399 -0.009 1.00 0.00 H new ATOM 0 HA ILE A 124 -4.384 1.596 -2.273 1.00 0.00 H new ATOM 0 HB ILE A 124 -3.336 3.768 -2.806 1.00 0.00 H new ATOM 0 HG12 ILE A 124 -1.759 1.735 -4.366 1.00 0.00 H new ATOM 0 HG13 ILE A 124 -3.510 1.695 -4.437 1.00 0.00 H new ATOM 0 HG21 ILE A 124 -0.886 3.962 -2.966 1.00 0.00 H new ATOM 0 HG22 ILE A 124 -1.414 3.634 -1.299 1.00 0.00 H new ATOM 0 HG23 ILE A 124 -0.716 2.327 -2.284 1.00 0.00 H new ATOM 0 HD11 ILE A 124 -2.588 3.003 -6.287 1.00 0.00 H new ATOM 0 HD12 ILE A 124 -3.546 4.042 -5.205 1.00 0.00 H new ATOM 0 HD13 ILE A 124 -1.768 4.082 -5.134 1.00 0.00 H new ATOM 1837 N PHE A 125 -2.989 -0.440 -2.688 1.00 0.00 N ATOM 1838 CA PHE A 125 -2.283 -1.712 -2.789 1.00 0.00 C ATOM 1839 C PHE A 125 -1.420 -1.757 -4.046 1.00 0.00 C ATOM 1840 O PHE A 125 -1.931 -1.702 -5.164 1.00 0.00 O ATOM 1841 CB PHE A 125 -3.280 -2.873 -2.800 1.00 0.00 C ATOM 1842 CG PHE A 125 -3.582 -3.418 -1.433 1.00 0.00 C ATOM 1843 CD1 PHE A 125 -2.615 -4.105 -0.718 1.00 0.00 C ATOM 1844 CD2 PHE A 125 -4.835 -3.245 -0.865 1.00 0.00 C ATOM 1845 CE1 PHE A 125 -2.891 -4.609 0.540 1.00 0.00 C ATOM 1846 CE2 PHE A 125 -5.116 -3.747 0.391 1.00 0.00 C ATOM 1847 CZ PHE A 125 -4.143 -4.429 1.094 1.00 0.00 C ATOM 0 H PHE A 125 -3.829 -0.377 -3.263 1.00 0.00 H new ATOM 0 HA PHE A 125 -1.633 -1.808 -1.919 1.00 0.00 H new ATOM 0 HB2 PHE A 125 -4.209 -2.539 -3.262 1.00 0.00 H new ATOM 0 HB3 PHE A 125 -2.884 -3.675 -3.423 1.00 0.00 H new ATOM 0 HD1 PHE A 125 -1.635 -4.249 -1.148 1.00 0.00 H new ATOM 0 HD2 PHE A 125 -5.600 -2.712 -1.410 1.00 0.00 H new ATOM 0 HE1 PHE A 125 -2.129 -5.142 1.088 1.00 0.00 H new ATOM 0 HE2 PHE A 125 -6.096 -3.606 0.823 1.00 0.00 H new ATOM 0 HZ PHE A 125 -4.361 -4.821 2.076 1.00 0.00 H new ATOM 1857 N THR A 126 -0.109 -1.856 -3.854 1.00 0.00 N ATOM 1858 CA THR A 126 0.826 -1.909 -4.973 1.00 0.00 C ATOM 1859 C THR A 126 1.951 -2.900 -4.695 1.00 0.00 C ATOM 1860 O THR A 126 1.991 -3.530 -3.638 1.00 0.00 O ATOM 1861 CB THR A 126 1.407 -0.520 -5.245 1.00 0.00 C ATOM 1862 OG1 THR A 126 2.358 -0.571 -6.293 1.00 0.00 O ATOM 1863 CG2 THR A 126 2.086 0.091 -4.038 1.00 0.00 C ATOM 0 H THR A 126 0.330 -1.901 -2.935 1.00 0.00 H new ATOM 0 HA THR A 126 0.281 -2.245 -5.855 1.00 0.00 H new ATOM 0 HB THR A 126 0.554 0.102 -5.516 1.00 0.00 H new ATOM 0 HG1 THR A 126 2.717 0.327 -6.453 1.00 0.00 H new ATOM 0 HG21 THR A 126 2.476 1.075 -4.299 1.00 0.00 H new ATOM 0 HG22 THR A 126 1.365 0.190 -3.226 1.00 0.00 H new ATOM 0 HG23 THR A 126 2.907 -0.551 -3.718 1.00 0.00 H new ATOM 1871 N ARG A 127 2.865 -3.034 -5.652 1.00 0.00 N ATOM 1872 CA ARG A 127 3.991 -3.949 -5.511 1.00 0.00 C ATOM 1873 C ARG A 127 5.112 -3.311 -4.690 1.00 0.00 C ATOM 1874 O ARG A 127 5.491 -2.166 -4.933 1.00 0.00 O ATOM 1875 CB ARG A 127 4.520 -4.355 -6.887 1.00 0.00 C ATOM 1876 CG ARG A 127 5.347 -5.631 -6.872 1.00 0.00 C ATOM 1877 CD ARG A 127 5.941 -5.925 -8.240 1.00 0.00 C ATOM 1878 NE ARG A 127 6.699 -7.174 -8.251 1.00 0.00 N ATOM 1879 CZ ARG A 127 7.555 -7.512 -9.212 1.00 0.00 C ATOM 1880 NH1 ARG A 127 7.765 -6.698 -10.240 1.00 0.00 N ATOM 1881 NH2 ARG A 127 8.203 -8.668 -9.147 1.00 0.00 N ATOM 0 H ARG A 127 2.847 -2.520 -6.533 1.00 0.00 H new ATOM 0 HA ARG A 127 3.641 -4.838 -4.987 1.00 0.00 H new ATOM 0 HB2 ARG A 127 3.678 -4.487 -7.566 1.00 0.00 H new ATOM 0 HB3 ARG A 127 5.128 -3.543 -7.287 1.00 0.00 H new ATOM 0 HG2 ARG A 127 6.148 -5.538 -6.139 1.00 0.00 H new ATOM 0 HG3 ARG A 127 4.722 -6.467 -6.558 1.00 0.00 H new ATOM 0 HD2 ARG A 127 5.141 -5.980 -8.978 1.00 0.00 H new ATOM 0 HD3 ARG A 127 6.592 -5.103 -8.537 1.00 0.00 H new ATOM 0 HE ARG A 127 6.564 -7.825 -7.477 1.00 0.00 H new ATOM 0 HH11 ARG A 127 7.269 -5.808 -10.296 1.00 0.00 H new ATOM 0 HH12 ARG A 127 8.422 -6.962 -10.974 1.00 0.00 H new ATOM 0 HH21 ARG A 127 8.045 -9.298 -8.360 1.00 0.00 H new ATOM 0 HH22 ARG A 127 8.859 -8.927 -9.884 1.00 0.00 H new ATOM 1895 N PRO A 128 5.663 -4.044 -3.704 1.00 0.00 N ATOM 1896 CA PRO A 128 6.746 -3.533 -2.857 1.00 0.00 C ATOM 1897 C PRO A 128 7.951 -3.077 -3.673 1.00 0.00 C ATOM 1898 O PRO A 128 8.592 -2.078 -3.347 1.00 0.00 O ATOM 1899 CB PRO A 128 7.123 -4.733 -1.982 1.00 0.00 C ATOM 1900 CG PRO A 128 5.919 -5.612 -1.993 1.00 0.00 C ATOM 1901 CD PRO A 128 5.280 -5.420 -3.339 1.00 0.00 C ATOM 0 HA PRO A 128 6.433 -2.658 -2.288 1.00 0.00 H new ATOM 0 HB2 PRO A 128 7.995 -5.253 -2.379 1.00 0.00 H new ATOM 0 HB3 PRO A 128 7.373 -4.419 -0.969 1.00 0.00 H new ATOM 0 HG2 PRO A 128 6.196 -6.655 -1.837 1.00 0.00 H new ATOM 0 HG3 PRO A 128 5.231 -5.342 -1.192 1.00 0.00 H new ATOM 0 HD2 PRO A 128 5.647 -6.145 -4.065 1.00 0.00 H new ATOM 0 HD3 PRO A 128 4.197 -5.537 -3.290 1.00 0.00 H new ATOM 1909 N SER A 129 8.252 -3.818 -4.734 1.00 0.00 N ATOM 1910 CA SER A 129 9.381 -3.493 -5.598 1.00 0.00 C ATOM 1911 C SER A 129 9.229 -2.101 -6.204 1.00 0.00 C ATOM 1912 O SER A 129 10.218 -1.439 -6.519 1.00 0.00 O ATOM 1913 CB SER A 129 9.513 -4.535 -6.711 1.00 0.00 C ATOM 1914 OG SER A 129 8.261 -5.132 -7.001 1.00 0.00 O ATOM 0 H SER A 129 7.730 -4.648 -5.016 1.00 0.00 H new ATOM 0 HA SER A 129 10.284 -3.503 -4.988 1.00 0.00 H new ATOM 0 HB2 SER A 129 9.912 -4.064 -7.609 1.00 0.00 H new ATOM 0 HB3 SER A 129 10.225 -5.304 -6.411 1.00 0.00 H new ATOM 0 HG SER A 129 8.205 -6.005 -6.560 1.00 0.00 H new ATOM 1920 N LYS A 130 7.984 -1.661 -6.367 1.00 0.00 N ATOM 1921 CA LYS A 130 7.708 -0.347 -6.936 1.00 0.00 C ATOM 1922 C LYS A 130 8.002 0.757 -5.925 1.00 0.00 C ATOM 1923 O LYS A 130 8.339 1.880 -6.298 1.00 0.00 O ATOM 1924 CB LYS A 130 6.251 -0.261 -7.394 1.00 0.00 C ATOM 1925 CG LYS A 130 6.038 -0.701 -8.834 1.00 0.00 C ATOM 1926 CD LYS A 130 5.981 0.489 -9.778 1.00 0.00 C ATOM 1927 CE LYS A 130 7.282 0.655 -10.546 1.00 0.00 C ATOM 1928 NZ LYS A 130 7.499 2.065 -10.975 1.00 0.00 N ATOM 0 H LYS A 130 7.153 -2.195 -6.113 1.00 0.00 H new ATOM 0 HA LYS A 130 8.361 -0.208 -7.798 1.00 0.00 H new ATOM 0 HB2 LYS A 130 5.636 -0.879 -6.739 1.00 0.00 H new ATOM 0 HB3 LYS A 130 5.904 0.766 -7.282 1.00 0.00 H new ATOM 0 HG2 LYS A 130 6.846 -1.367 -9.135 1.00 0.00 H new ATOM 0 HG3 LYS A 130 5.111 -1.270 -8.908 1.00 0.00 H new ATOM 0 HD2 LYS A 130 5.157 0.359 -10.480 1.00 0.00 H new ATOM 0 HD3 LYS A 130 5.775 1.396 -9.210 1.00 0.00 H new ATOM 0 HE2 LYS A 130 8.116 0.333 -9.922 1.00 0.00 H new ATOM 0 HE3 LYS A 130 7.271 0.007 -11.422 1.00 0.00 H new ATOM 0 HZ1 LYS A 130 8.397 2.135 -11.495 1.00 0.00 H new ATOM 0 HZ2 LYS A 130 6.717 2.364 -11.592 1.00 0.00 H new ATOM 0 HZ3 LYS A 130 7.535 2.681 -10.138 1.00 0.00 H new ATOM 1942 N LEU A 131 7.872 0.429 -4.643 1.00 0.00 N ATOM 1943 CA LEU A 131 8.125 1.393 -3.579 1.00 0.00 C ATOM 1944 C LEU A 131 9.561 1.903 -3.636 1.00 0.00 C ATOM 1945 O LEU A 131 10.470 1.184 -4.051 1.00 0.00 O ATOM 1946 CB LEU A 131 7.851 0.759 -2.214 1.00 0.00 C ATOM 1947 CG LEU A 131 6.499 0.056 -2.083 1.00 0.00 C ATOM 1948 CD1 LEU A 131 6.349 -0.560 -0.700 1.00 0.00 C ATOM 1949 CD2 LEU A 131 5.363 1.030 -2.360 1.00 0.00 C ATOM 0 H LEU A 131 7.593 -0.496 -4.317 1.00 0.00 H new ATOM 0 HA LEU A 131 7.453 2.239 -3.722 1.00 0.00 H new ATOM 0 HB2 LEU A 131 8.640 0.038 -2.001 1.00 0.00 H new ATOM 0 HB3 LEU A 131 7.915 1.535 -1.451 1.00 0.00 H new ATOM 0 HG LEU A 131 6.454 -0.744 -2.822 1.00 0.00 H new ATOM 0 HD11 LEU A 131 5.381 -1.056 -0.626 1.00 0.00 H new ATOM 0 HD12 LEU A 131 7.143 -1.289 -0.538 1.00 0.00 H new ATOM 0 HD13 LEU A 131 6.415 0.222 0.056 1.00 0.00 H new ATOM 0 HD21 LEU A 131 4.408 0.513 -2.262 1.00 0.00 H new ATOM 0 HD22 LEU A 131 5.406 1.851 -1.645 1.00 0.00 H new ATOM 0 HD23 LEU A 131 5.460 1.424 -3.372 1.00 0.00 H new ATOM 1961 N THR A 132 9.758 3.149 -3.217 1.00 0.00 N ATOM 1962 CA THR A 132 11.083 3.756 -3.221 1.00 0.00 C ATOM 1963 C THR A 132 11.225 4.756 -2.078 1.00 0.00 C ATOM 1964 O THR A 132 10.244 5.355 -1.640 1.00 0.00 O ATOM 1965 CB THR A 132 11.347 4.450 -4.557 1.00 0.00 C ATOM 1966 OG1 THR A 132 10.177 5.095 -5.026 1.00 0.00 O ATOM 1967 CG2 THR A 132 11.815 3.504 -5.642 1.00 0.00 C ATOM 0 H THR A 132 9.016 3.758 -2.870 1.00 0.00 H new ATOM 0 HA THR A 132 11.818 2.964 -3.082 1.00 0.00 H new ATOM 0 HB THR A 132 12.142 5.168 -4.357 1.00 0.00 H new ATOM 0 HG1 THR A 132 9.605 5.328 -4.265 1.00 0.00 H new ATOM 0 HG21 THR A 132 11.984 4.062 -6.563 1.00 0.00 H new ATOM 0 HG22 THR A 132 12.744 3.026 -5.332 1.00 0.00 H new ATOM 0 HG23 THR A 132 11.055 2.742 -5.813 1.00 0.00 H new ATOM 1975 N ARG A 133 12.452 4.931 -1.600 1.00 0.00 N ATOM 1976 CA ARG A 133 12.719 5.859 -0.507 1.00 0.00 C ATOM 1977 C ARG A 133 13.104 7.234 -1.044 1.00 0.00 C ATOM 1978 O ARG A 133 14.001 7.358 -1.878 1.00 0.00 O ATOM 1979 CB ARG A 133 13.834 5.316 0.391 1.00 0.00 C ATOM 1980 CG ARG A 133 13.320 4.591 1.624 1.00 0.00 C ATOM 1981 CD ARG A 133 14.276 3.495 2.065 1.00 0.00 C ATOM 1982 NE ARG A 133 13.941 2.204 1.469 1.00 0.00 N ATOM 1983 CZ ARG A 133 14.366 1.035 1.944 1.00 0.00 C ATOM 1984 NH1 ARG A 133 15.143 0.990 3.020 1.00 0.00 N ATOM 1985 NH2 ARG A 133 14.014 -0.092 1.341 1.00 0.00 N ATOM 0 H ARG A 133 13.276 4.444 -1.951 1.00 0.00 H new ATOM 0 HA ARG A 133 11.807 5.961 0.082 1.00 0.00 H new ATOM 0 HB2 ARG A 133 14.457 4.634 -0.188 1.00 0.00 H new ATOM 0 HB3 ARG A 133 14.472 6.142 0.705 1.00 0.00 H new ATOM 0 HG2 ARG A 133 13.183 5.305 2.436 1.00 0.00 H new ATOM 0 HG3 ARG A 133 12.342 4.159 1.412 1.00 0.00 H new ATOM 0 HD2 ARG A 133 15.294 3.769 1.788 1.00 0.00 H new ATOM 0 HD3 ARG A 133 14.253 3.410 3.151 1.00 0.00 H new ATOM 0 HE ARG A 133 13.347 2.198 0.640 1.00 0.00 H new ATOM 0 HH11 ARG A 133 15.417 1.854 3.487 1.00 0.00 H new ATOM 0 HH12 ARG A 133 15.465 0.091 3.379 1.00 0.00 H new ATOM 0 HH21 ARG A 133 13.418 -0.063 0.514 1.00 0.00 H new ATOM 0 HH22 ARG A 133 14.339 -0.988 1.704 1.00 0.00 H new ATOM 1999 N LYS A 134 12.417 8.265 -0.559 1.00 0.00 N ATOM 2000 CA LYS A 134 12.683 9.634 -0.988 1.00 0.00 C ATOM 2001 C LYS A 134 12.413 9.800 -2.479 1.00 0.00 C ATOM 2002 O LYS A 134 12.619 8.876 -3.266 1.00 0.00 O ATOM 2003 CB LYS A 134 14.129 10.021 -0.671 1.00 0.00 C ATOM 2004 CG LYS A 134 14.416 10.138 0.817 1.00 0.00 C ATOM 2005 CD LYS A 134 13.902 11.452 1.382 1.00 0.00 C ATOM 2006 CE LYS A 134 14.891 12.583 1.151 1.00 0.00 C ATOM 2007 NZ LYS A 134 14.523 13.409 -0.033 1.00 0.00 N ATOM 0 H LYS A 134 11.672 8.178 0.132 1.00 0.00 H new ATOM 0 HA LYS A 134 12.011 10.295 -0.441 1.00 0.00 H new ATOM 0 HB2 LYS A 134 14.798 9.278 -1.104 1.00 0.00 H new ATOM 0 HB3 LYS A 134 14.355 10.973 -1.152 1.00 0.00 H new ATOM 0 HG2 LYS A 134 13.949 9.306 1.345 1.00 0.00 H new ATOM 0 HG3 LYS A 134 15.490 10.062 0.989 1.00 0.00 H new ATOM 0 HD2 LYS A 134 12.948 11.701 0.917 1.00 0.00 H new ATOM 0 HD3 LYS A 134 13.717 11.342 2.450 1.00 0.00 H new ATOM 0 HE2 LYS A 134 14.932 13.216 2.037 1.00 0.00 H new ATOM 0 HE3 LYS A 134 15.889 12.169 1.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 134 14.849 14.386 0.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 134 14.973 13.016 -0.884 1.00 0.00 H new ATOM 0 HZ3 LYS A 134 13.490 13.403 -0.153 1.00 0.00 H new