USER MOD reduce.3.24.130724 H: found=0, std=0, add=552, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 553 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 74 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 ASN : amide:sc= -1.84 K(o=-1.8,f=-8!) USER MOD Single : A 77 LYS NZ :NH3+ 158:sc= -0.0188 (180deg=-0.225) USER MOD Single : A 82 GLN : amide:sc= -0.208 X(o=-0.21,f=0) USER MOD Single : A 87 THR OG1 : rot -24:sc= 1.44 USER MOD Single : A 88 GLN : amide:sc= -1.92 K(o=-1.9,f=-5.4!) USER MOD Single : A 93 GLN : amide:sc= 0.359 X(o=0.36,f=0) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 ASN : amide:sc= -1.66 K(o=-1.7,f=-2.6!) USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 115 TYR OH : rot 30:sc= 0.204 USER MOD Single : A 117 GLN : amide:sc= -0.21 X(o=-0.21,f=-0.13) USER MOD Single : A 118 CYS SG : rot -140:sc= -0.799 USER MOD Single : A 122 LYS NZ :NH3+ 153:sc= 1.15 (180deg=-0.375) USER MOD Single : A 126 THR OG1 : rot 180:sc= -0.252 USER MOD Single : A 129 SER OG : rot 180:sc= 0 USER MOD Single : A 130 LYS NZ :NH3+ 180:sc= -0.0149 (180deg=-0.0149) USER MOD Single : A 132 THR OG1 : rot 159:sc= -0.994 USER MOD Single : A 134 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 915 N PHE A 65 11.107 -4.927 3.204 1.00 0.00 N ATOM 916 CA PHE A 65 10.276 -3.856 3.740 1.00 0.00 C ATOM 917 C PHE A 65 9.735 -4.225 5.119 1.00 0.00 C ATOM 918 O PHE A 65 9.811 -5.380 5.536 1.00 0.00 O ATOM 919 CB PHE A 65 9.116 -3.557 2.788 1.00 0.00 C ATOM 920 CG PHE A 65 9.551 -2.973 1.476 1.00 0.00 C ATOM 921 CD1 PHE A 65 9.920 -3.796 0.424 1.00 0.00 C ATOM 922 CD2 PHE A 65 9.593 -1.599 1.293 1.00 0.00 C ATOM 923 CE1 PHE A 65 10.321 -3.261 -0.786 1.00 0.00 C ATOM 924 CE2 PHE A 65 9.993 -1.059 0.086 1.00 0.00 C ATOM 925 CZ PHE A 65 10.358 -1.891 -0.955 1.00 0.00 C ATOM 0 HA PHE A 65 10.895 -2.964 3.839 1.00 0.00 H new ATOM 0 HB2 PHE A 65 8.564 -4.478 2.601 1.00 0.00 H new ATOM 0 HB3 PHE A 65 8.427 -2.865 3.274 1.00 0.00 H new ATOM 0 HD1 PHE A 65 9.894 -4.868 0.551 1.00 0.00 H new ATOM 0 HD2 PHE A 65 9.310 -0.944 2.103 1.00 0.00 H new ATOM 0 HE1 PHE A 65 10.605 -3.914 -1.598 1.00 0.00 H new ATOM 0 HE2 PHE A 65 10.020 0.013 -0.044 1.00 0.00 H new ATOM 0 HZ PHE A 65 10.672 -1.471 -1.899 1.00 0.00 H new ATOM 935 N ARG A 66 9.191 -3.236 5.820 1.00 0.00 N ATOM 936 CA ARG A 66 8.639 -3.458 7.151 1.00 0.00 C ATOM 937 C ARG A 66 7.463 -2.522 7.414 1.00 0.00 C ATOM 938 O ARG A 66 7.334 -1.477 6.779 1.00 0.00 O ATOM 939 CB ARG A 66 9.719 -3.250 8.214 1.00 0.00 C ATOM 940 CG ARG A 66 9.559 -4.155 9.427 1.00 0.00 C ATOM 941 CD ARG A 66 9.911 -3.426 10.715 1.00 0.00 C ATOM 942 NE ARG A 66 11.332 -3.531 11.034 1.00 0.00 N ATOM 943 CZ ARG A 66 11.941 -4.675 11.337 1.00 0.00 C ATOM 944 NH1 ARG A 66 11.258 -5.813 11.365 1.00 0.00 N ATOM 945 NH2 ARG A 66 13.239 -4.681 11.614 1.00 0.00 N ATOM 0 H ARG A 66 9.121 -2.274 5.489 1.00 0.00 H new ATOM 0 HA ARG A 66 8.281 -4.486 7.203 1.00 0.00 H new ATOM 0 HB2 ARG A 66 10.697 -3.426 7.766 1.00 0.00 H new ATOM 0 HB3 ARG A 66 9.700 -2.210 8.541 1.00 0.00 H new ATOM 0 HG2 ARG A 66 8.532 -4.516 9.481 1.00 0.00 H new ATOM 0 HG3 ARG A 66 10.199 -5.030 9.316 1.00 0.00 H new ATOM 0 HD2 ARG A 66 9.637 -2.375 10.623 1.00 0.00 H new ATOM 0 HD3 ARG A 66 9.324 -3.837 11.536 1.00 0.00 H new ATOM 0 HE ARG A 66 11.891 -2.678 11.024 1.00 0.00 H new ATOM 0 HH11 ARG A 66 10.260 -5.814 11.153 1.00 0.00 H new ATOM 0 HH12 ARG A 66 11.731 -6.686 11.598 1.00 0.00 H new ATOM 0 HH21 ARG A 66 13.769 -3.810 11.595 1.00 0.00 H new ATOM 0 HH22 ARG A 66 13.707 -5.557 11.846 1.00 0.00 H new ATOM 959 N VAL A 67 6.608 -2.907 8.357 1.00 0.00 N ATOM 960 CA VAL A 67 5.443 -2.103 8.705 1.00 0.00 C ATOM 961 C VAL A 67 5.835 -0.925 9.590 1.00 0.00 C ATOM 962 O VAL A 67 6.503 -1.096 10.610 1.00 0.00 O ATOM 963 CB VAL A 67 4.377 -2.944 9.431 1.00 0.00 C ATOM 964 CG1 VAL A 67 3.097 -2.143 9.613 1.00 0.00 C ATOM 965 CG2 VAL A 67 4.104 -4.232 8.671 1.00 0.00 C ATOM 0 H VAL A 67 6.701 -3.770 8.893 1.00 0.00 H new ATOM 0 HA VAL A 67 5.025 -1.729 7.770 1.00 0.00 H new ATOM 0 HB VAL A 67 4.758 -3.205 10.418 1.00 0.00 H new ATOM 0 HG11 VAL A 67 2.356 -2.754 10.128 1.00 0.00 H new ATOM 0 HG12 VAL A 67 3.307 -1.252 10.204 1.00 0.00 H new ATOM 0 HG13 VAL A 67 2.710 -1.849 8.637 1.00 0.00 H new ATOM 0 HG21 VAL A 67 3.348 -4.813 9.199 1.00 0.00 H new ATOM 0 HG22 VAL A 67 3.745 -3.994 7.670 1.00 0.00 H new ATOM 0 HG23 VAL A 67 5.023 -4.813 8.598 1.00 0.00 H new ATOM 975 N GLY A 68 5.414 0.272 9.193 1.00 0.00 N ATOM 976 CA GLY A 68 5.730 1.461 9.961 1.00 0.00 C ATOM 977 C GLY A 68 6.888 2.242 9.370 1.00 0.00 C ATOM 978 O GLY A 68 7.604 2.941 10.088 1.00 0.00 O ATOM 0 H GLY A 68 4.860 0.439 8.353 1.00 0.00 H new ATOM 0 HA2 GLY A 68 4.850 2.103 10.010 1.00 0.00 H new ATOM 0 HA3 GLY A 68 5.973 1.175 10.984 1.00 0.00 H new ATOM 982 N GLU A 69 7.074 2.122 8.060 1.00 0.00 N ATOM 983 CA GLU A 69 8.153 2.822 7.373 1.00 0.00 C ATOM 984 C GLU A 69 7.599 3.789 6.331 1.00 0.00 C ATOM 985 O GLU A 69 6.436 3.694 5.939 1.00 0.00 O ATOM 986 CB GLU A 69 9.095 1.819 6.704 1.00 0.00 C ATOM 987 CG GLU A 69 9.715 0.828 7.674 1.00 0.00 C ATOM 988 CD GLU A 69 10.942 1.383 8.371 1.00 0.00 C ATOM 989 OE1 GLU A 69 11.690 2.152 7.732 1.00 0.00 O ATOM 990 OE2 GLU A 69 11.154 1.050 9.557 1.00 0.00 O ATOM 0 H GLU A 69 6.491 1.546 7.452 1.00 0.00 H new ATOM 0 HA GLU A 69 8.710 3.395 8.114 1.00 0.00 H new ATOM 0 HB2 GLU A 69 8.545 1.271 5.939 1.00 0.00 H new ATOM 0 HB3 GLU A 69 9.891 2.364 6.196 1.00 0.00 H new ATOM 0 HG2 GLU A 69 8.974 0.545 8.422 1.00 0.00 H new ATOM 0 HG3 GLU A 69 9.987 -0.080 7.136 1.00 0.00 H new ATOM 997 N ARG A 70 8.439 4.717 5.888 1.00 0.00 N ATOM 998 CA ARG A 70 8.033 5.703 4.891 1.00 0.00 C ATOM 999 C ARG A 70 8.528 5.308 3.504 1.00 0.00 C ATOM 1000 O ARG A 70 9.732 5.193 3.272 1.00 0.00 O ATOM 1001 CB ARG A 70 8.572 7.085 5.265 1.00 0.00 C ATOM 1002 CG ARG A 70 7.981 8.214 4.435 1.00 0.00 C ATOM 1003 CD ARG A 70 6.831 8.900 5.159 1.00 0.00 C ATOM 1004 NE ARG A 70 7.086 10.325 5.365 1.00 0.00 N ATOM 1005 CZ ARG A 70 7.798 10.816 6.377 1.00 0.00 C ATOM 1006 NH1 ARG A 70 8.331 10.002 7.281 1.00 0.00 N ATOM 1007 NH2 ARG A 70 7.978 12.124 6.487 1.00 0.00 N ATOM 0 H ARG A 70 9.405 4.808 6.203 1.00 0.00 H new ATOM 0 HA ARG A 70 6.944 5.738 4.871 1.00 0.00 H new ATOM 0 HB2 ARG A 70 8.366 7.273 6.319 1.00 0.00 H new ATOM 0 HB3 ARG A 70 9.656 7.087 5.147 1.00 0.00 H new ATOM 0 HG2 ARG A 70 8.757 8.945 4.209 1.00 0.00 H new ATOM 0 HG3 ARG A 70 7.628 7.819 3.482 1.00 0.00 H new ATOM 0 HD2 ARG A 70 5.914 8.775 4.583 1.00 0.00 H new ATOM 0 HD3 ARG A 70 6.670 8.417 6.123 1.00 0.00 H new ATOM 0 HE ARG A 70 6.694 10.983 4.692 1.00 0.00 H new ATOM 0 HH11 ARG A 70 8.196 8.994 7.202 1.00 0.00 H new ATOM 0 HH12 ARG A 70 8.875 10.385 8.054 1.00 0.00 H new ATOM 0 HH21 ARG A 70 7.571 12.755 5.796 1.00 0.00 H new ATOM 0 HH22 ARG A 70 8.524 12.500 7.262 1.00 0.00 H new ATOM 1021 N VAL A 71 7.591 5.102 2.583 1.00 0.00 N ATOM 1022 CA VAL A 71 7.933 4.720 1.218 1.00 0.00 C ATOM 1023 C VAL A 71 7.140 5.537 0.203 1.00 0.00 C ATOM 1024 O VAL A 71 6.139 6.165 0.545 1.00 0.00 O ATOM 1025 CB VAL A 71 7.672 3.222 0.972 1.00 0.00 C ATOM 1026 CG1 VAL A 71 8.690 2.372 1.716 1.00 0.00 C ATOM 1027 CG2 VAL A 71 6.254 2.854 1.384 1.00 0.00 C ATOM 0 H VAL A 71 6.590 5.193 2.758 1.00 0.00 H new ATOM 0 HA VAL A 71 8.997 4.921 1.090 1.00 0.00 H new ATOM 0 HB VAL A 71 7.780 3.023 -0.094 1.00 0.00 H new ATOM 0 HG11 VAL A 71 8.489 1.317 1.530 1.00 0.00 H new ATOM 0 HG12 VAL A 71 9.693 2.617 1.367 1.00 0.00 H new ATOM 0 HG13 VAL A 71 8.619 2.572 2.785 1.00 0.00 H new ATOM 0 HG21 VAL A 71 6.087 1.792 1.203 1.00 0.00 H new ATOM 0 HG22 VAL A 71 6.116 3.068 2.444 1.00 0.00 H new ATOM 0 HG23 VAL A 71 5.542 3.438 0.800 1.00 0.00 H new ATOM 1037 N TRP A 72 7.596 5.522 -1.045 1.00 0.00 N ATOM 1038 CA TRP A 72 6.929 6.261 -2.112 1.00 0.00 C ATOM 1039 C TRP A 72 6.283 5.308 -3.112 1.00 0.00 C ATOM 1040 O TRP A 72 6.971 4.540 -3.785 1.00 0.00 O ATOM 1041 CB TRP A 72 7.927 7.171 -2.830 1.00 0.00 C ATOM 1042 CG TRP A 72 8.136 8.486 -2.143 1.00 0.00 C ATOM 1043 CD1 TRP A 72 7.798 9.721 -2.616 1.00 0.00 C ATOM 1044 CD2 TRP A 72 8.732 8.697 -0.858 1.00 0.00 C ATOM 1045 NE1 TRP A 72 8.148 10.688 -1.703 1.00 0.00 N ATOM 1046 CE2 TRP A 72 8.724 10.084 -0.616 1.00 0.00 C ATOM 1047 CE3 TRP A 72 9.272 7.848 0.112 1.00 0.00 C ATOM 1048 CZ2 TRP A 72 9.233 10.639 0.555 1.00 0.00 C ATOM 1049 CZ3 TRP A 72 9.779 8.400 1.273 1.00 0.00 C ATOM 1050 CH2 TRP A 72 9.756 9.784 1.487 1.00 0.00 C ATOM 0 H TRP A 72 8.424 5.007 -1.343 1.00 0.00 H new ATOM 0 HA TRP A 72 6.147 6.873 -1.663 1.00 0.00 H new ATOM 0 HB2 TRP A 72 8.884 6.656 -2.911 1.00 0.00 H new ATOM 0 HB3 TRP A 72 7.576 7.352 -3.846 1.00 0.00 H new ATOM 0 HD1 TRP A 72 7.325 9.911 -3.568 1.00 0.00 H new ATOM 0 HE1 TRP A 72 8.003 11.691 -1.816 1.00 0.00 H new ATOM 0 HE3 TRP A 72 9.293 6.779 -0.043 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 9.216 11.706 0.722 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 10.200 7.753 2.028 1.00 0.00 H new ATOM 0 HH2 TRP A 72 10.159 10.184 2.406 1.00 0.00 H new ATOM 1061 N VAL A 73 4.959 5.364 -3.206 1.00 0.00 N ATOM 1062 CA VAL A 73 4.224 4.505 -4.127 1.00 0.00 C ATOM 1063 C VAL A 73 4.474 4.916 -5.574 1.00 0.00 C ATOM 1064 O VAL A 73 4.189 6.048 -5.967 1.00 0.00 O ATOM 1065 CB VAL A 73 2.709 4.545 -3.847 1.00 0.00 C ATOM 1066 CG1 VAL A 73 1.978 3.525 -4.707 1.00 0.00 C ATOM 1067 CG2 VAL A 73 2.431 4.304 -2.369 1.00 0.00 C ATOM 0 H VAL A 73 4.374 5.994 -2.657 1.00 0.00 H new ATOM 0 HA VAL A 73 4.586 3.489 -3.971 1.00 0.00 H new ATOM 0 HB VAL A 73 2.338 5.537 -4.106 1.00 0.00 H new ATOM 0 HG11 VAL A 73 0.910 3.569 -4.495 1.00 0.00 H new ATOM 0 HG12 VAL A 73 2.148 3.748 -5.760 1.00 0.00 H new ATOM 0 HG13 VAL A 73 2.352 2.526 -4.483 1.00 0.00 H new ATOM 0 HG21 VAL A 73 1.356 4.336 -2.191 1.00 0.00 H new ATOM 0 HG22 VAL A 73 2.818 3.326 -2.081 1.00 0.00 H new ATOM 0 HG23 VAL A 73 2.920 5.077 -1.776 1.00 0.00 H new ATOM 1077 N ASN A 74 5.009 3.991 -6.363 1.00 0.00 N ATOM 1078 CA ASN A 74 5.299 4.258 -7.767 1.00 0.00 C ATOM 1079 C ASN A 74 6.325 5.380 -7.907 1.00 0.00 C ATOM 1080 O ASN A 74 6.349 6.091 -8.911 1.00 0.00 O ATOM 1081 CB ASN A 74 4.014 4.624 -8.515 1.00 0.00 C ATOM 1082 CG ASN A 74 3.788 3.753 -9.736 1.00 0.00 C ATOM 1083 OD1 ASN A 74 4.374 3.983 -10.794 1.00 0.00 O ATOM 1084 ND2 ASN A 74 2.934 2.746 -9.594 1.00 0.00 N ATOM 0 H ASN A 74 5.251 3.049 -6.054 1.00 0.00 H new ATOM 0 HA ASN A 74 5.718 3.352 -8.205 1.00 0.00 H new ATOM 0 HB2 ASN A 74 3.164 4.527 -7.840 1.00 0.00 H new ATOM 0 HB3 ASN A 74 4.060 5.669 -8.821 1.00 0.00 H new ATOM 0 HD21 ASN A 74 2.741 2.126 -10.381 1.00 0.00 H new ATOM 0 HD22 ASN A 74 2.471 2.593 -8.698 1.00 0.00 H new ATOM 1091 N GLY A 75 7.173 5.531 -6.894 1.00 0.00 N ATOM 1092 CA GLY A 75 8.190 6.566 -6.924 1.00 0.00 C ATOM 1093 C GLY A 75 7.602 7.961 -7.026 1.00 0.00 C ATOM 1094 O GLY A 75 8.178 8.837 -7.670 1.00 0.00 O ATOM 0 H GLY A 75 7.174 4.955 -6.053 1.00 0.00 H new ATOM 0 HA2 GLY A 75 8.799 6.498 -6.023 1.00 0.00 H new ATOM 0 HA3 GLY A 75 8.854 6.393 -7.771 1.00 0.00 H new ATOM 1098 N ASN A 76 6.452 8.166 -6.390 1.00 0.00 N ATOM 1099 CA ASN A 76 5.790 9.466 -6.415 1.00 0.00 C ATOM 1100 C ASN A 76 4.519 9.448 -5.567 1.00 0.00 C ATOM 1101 O ASN A 76 3.442 9.815 -6.037 1.00 0.00 O ATOM 1102 CB ASN A 76 5.452 9.864 -7.853 1.00 0.00 C ATOM 1103 CG ASN A 76 4.507 8.883 -8.518 1.00 0.00 C ATOM 1104 OD1 ASN A 76 4.357 7.747 -8.071 1.00 0.00 O ATOM 1105 ND2 ASN A 76 3.863 9.321 -9.595 1.00 0.00 N ATOM 0 H ASN A 76 5.961 7.451 -5.853 1.00 0.00 H new ATOM 0 HA ASN A 76 6.476 10.201 -5.994 1.00 0.00 H new ATOM 0 HB2 ASN A 76 5.002 10.857 -7.856 1.00 0.00 H new ATOM 0 HB3 ASN A 76 6.372 9.929 -8.435 1.00 0.00 H new ATOM 0 HD21 ASN A 76 3.213 8.707 -10.086 1.00 0.00 H new ATOM 0 HD22 ASN A 76 4.018 10.272 -9.931 1.00 0.00 H new ATOM 1112 N LYS A 77 4.653 9.020 -4.316 1.00 0.00 N ATOM 1113 CA LYS A 77 3.515 8.955 -3.405 1.00 0.00 C ATOM 1114 C LYS A 77 3.951 8.484 -2.019 1.00 0.00 C ATOM 1115 O LYS A 77 3.822 7.307 -1.685 1.00 0.00 O ATOM 1116 CB LYS A 77 2.443 8.016 -3.962 1.00 0.00 C ATOM 1117 CG LYS A 77 1.304 8.739 -4.664 1.00 0.00 C ATOM 1118 CD LYS A 77 -0.031 8.057 -4.413 1.00 0.00 C ATOM 1119 CE LYS A 77 -0.849 7.943 -5.689 1.00 0.00 C ATOM 1120 NZ LYS A 77 -0.219 7.019 -6.672 1.00 0.00 N ATOM 0 H LYS A 77 5.537 8.713 -3.910 1.00 0.00 H new ATOM 0 HA LYS A 77 3.098 9.958 -3.313 1.00 0.00 H new ATOM 0 HB2 LYS A 77 2.908 7.322 -4.662 1.00 0.00 H new ATOM 0 HB3 LYS A 77 2.035 7.419 -3.146 1.00 0.00 H new ATOM 0 HG2 LYS A 77 1.257 9.771 -4.315 1.00 0.00 H new ATOM 0 HG3 LYS A 77 1.500 8.773 -5.736 1.00 0.00 H new ATOM 0 HD2 LYS A 77 0.140 7.063 -3.999 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -0.594 8.620 -3.668 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -1.851 7.588 -5.447 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -0.960 8.930 -6.138 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -0.941 6.676 -7.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 0.524 7.524 -7.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 0.201 6.211 -6.169 1.00 0.00 H new ATOM 1134 N PRO A 78 4.477 9.403 -1.188 1.00 0.00 N ATOM 1135 CA PRO A 78 4.931 9.075 0.168 1.00 0.00 C ATOM 1136 C PRO A 78 3.791 8.591 1.058 1.00 0.00 C ATOM 1137 O PRO A 78 2.650 9.032 0.916 1.00 0.00 O ATOM 1138 CB PRO A 78 5.495 10.399 0.695 1.00 0.00 C ATOM 1139 CG PRO A 78 4.865 11.452 -0.150 1.00 0.00 C ATOM 1140 CD PRO A 78 4.667 10.829 -1.502 1.00 0.00 C ATOM 0 HA PRO A 78 5.658 8.263 0.165 1.00 0.00 H new ATOM 0 HB2 PRO A 78 5.251 10.540 1.748 1.00 0.00 H new ATOM 0 HB3 PRO A 78 6.582 10.425 0.613 1.00 0.00 H new ATOM 0 HG2 PRO A 78 3.915 11.776 0.274 1.00 0.00 H new ATOM 0 HG3 PRO A 78 5.502 12.334 -0.216 1.00 0.00 H new ATOM 0 HD2 PRO A 78 3.802 11.247 -2.016 1.00 0.00 H new ATOM 0 HD3 PRO A 78 5.530 10.988 -2.149 1.00 0.00 H new ATOM 1148 N GLY A 79 4.108 7.683 1.975 1.00 0.00 N ATOM 1149 CA GLY A 79 3.099 7.154 2.874 1.00 0.00 C ATOM 1150 C GLY A 79 3.691 6.272 3.956 1.00 0.00 C ATOM 1151 O GLY A 79 4.887 6.344 4.239 1.00 0.00 O ATOM 0 H GLY A 79 5.045 7.304 2.112 1.00 0.00 H new ATOM 0 HA2 GLY A 79 2.561 7.981 3.338 1.00 0.00 H new ATOM 0 HA3 GLY A 79 2.370 6.581 2.301 1.00 0.00 H new ATOM 1155 N PHE A 80 2.852 5.437 4.560 1.00 0.00 N ATOM 1156 CA PHE A 80 3.298 4.537 5.617 1.00 0.00 C ATOM 1157 C PHE A 80 2.788 3.120 5.375 1.00 0.00 C ATOM 1158 O PHE A 80 1.593 2.906 5.174 1.00 0.00 O ATOM 1159 CB PHE A 80 2.820 5.039 6.980 1.00 0.00 C ATOM 1160 CG PHE A 80 3.469 6.325 7.407 1.00 0.00 C ATOM 1161 CD1 PHE A 80 4.688 6.315 8.066 1.00 0.00 C ATOM 1162 CD2 PHE A 80 2.861 7.542 7.148 1.00 0.00 C ATOM 1163 CE1 PHE A 80 5.287 7.496 8.460 1.00 0.00 C ATOM 1164 CE2 PHE A 80 3.456 8.727 7.539 1.00 0.00 C ATOM 1165 CZ PHE A 80 4.671 8.704 8.196 1.00 0.00 C ATOM 0 H PHE A 80 1.860 5.365 4.336 1.00 0.00 H new ATOM 0 HA PHE A 80 4.388 4.518 5.608 1.00 0.00 H new ATOM 0 HB2 PHE A 80 1.740 5.180 6.948 1.00 0.00 H new ATOM 0 HB3 PHE A 80 3.020 4.274 7.730 1.00 0.00 H new ATOM 0 HD1 PHE A 80 5.175 5.374 8.274 1.00 0.00 H new ATOM 0 HD2 PHE A 80 1.911 7.566 6.635 1.00 0.00 H new ATOM 0 HE1 PHE A 80 6.236 7.475 8.974 1.00 0.00 H new ATOM 0 HE2 PHE A 80 2.972 9.670 7.331 1.00 0.00 H new ATOM 0 HZ PHE A 80 5.138 9.628 8.503 1.00 0.00 H new ATOM 1175 N ILE A 81 3.702 2.155 5.396 1.00 0.00 N ATOM 1176 CA ILE A 81 3.345 0.759 5.180 1.00 0.00 C ATOM 1177 C ILE A 81 2.585 0.195 6.377 1.00 0.00 C ATOM 1178 O ILE A 81 2.975 0.403 7.526 1.00 0.00 O ATOM 1179 CB ILE A 81 4.593 -0.107 4.921 1.00 0.00 C ATOM 1180 CG1 ILE A 81 5.457 0.518 3.825 1.00 0.00 C ATOM 1181 CG2 ILE A 81 4.187 -1.524 4.540 1.00 0.00 C ATOM 1182 CD1 ILE A 81 6.820 -0.127 3.689 1.00 0.00 C ATOM 0 H ILE A 81 4.696 2.315 5.561 1.00 0.00 H new ATOM 0 HA ILE A 81 2.704 0.728 4.299 1.00 0.00 H new ATOM 0 HB ILE A 81 5.180 -0.153 5.838 1.00 0.00 H new ATOM 0 HG12 ILE A 81 4.932 0.443 2.873 1.00 0.00 H new ATOM 0 HG13 ILE A 81 5.586 1.580 4.036 1.00 0.00 H new ATOM 0 HG21 ILE A 81 5.080 -2.123 4.360 1.00 0.00 H new ATOM 0 HG22 ILE A 81 3.610 -1.968 5.351 1.00 0.00 H new ATOM 0 HG23 ILE A 81 3.580 -1.498 3.635 1.00 0.00 H new ATOM 0 HD11 ILE A 81 7.378 0.366 2.893 1.00 0.00 H new ATOM 0 HD12 ILE A 81 7.364 -0.029 4.628 1.00 0.00 H new ATOM 0 HD13 ILE A 81 6.700 -1.183 3.447 1.00 0.00 H new ATOM 1194 N GLN A 82 1.500 -0.521 6.099 1.00 0.00 N ATOM 1195 CA GLN A 82 0.685 -1.114 7.153 1.00 0.00 C ATOM 1196 C GLN A 82 0.554 -2.621 6.955 1.00 0.00 C ATOM 1197 O GLN A 82 0.672 -3.394 7.905 1.00 0.00 O ATOM 1198 CB GLN A 82 -0.702 -0.470 7.178 1.00 0.00 C ATOM 1199 CG GLN A 82 -0.669 1.040 7.342 1.00 0.00 C ATOM 1200 CD GLN A 82 -0.654 1.469 8.796 1.00 0.00 C ATOM 1201 OE1 GLN A 82 -1.649 1.972 9.316 1.00 0.00 O ATOM 1202 NE2 GLN A 82 0.479 1.271 9.459 1.00 0.00 N ATOM 0 H GLN A 82 1.165 -0.704 5.153 1.00 0.00 H new ATOM 0 HA GLN A 82 1.180 -0.931 8.107 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -1.224 -0.715 6.253 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -1.280 -0.903 7.994 1.00 0.00 H new ATOM 0 HG2 GLN A 82 0.214 1.437 6.841 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -1.538 1.474 6.848 1.00 0.00 H new ATOM 0 HE21 GLN A 82 1.279 0.850 8.987 1.00 0.00 H new ATOM 0 HE22 GLN A 82 0.549 1.540 10.441 1.00 0.00 H new ATOM 1211 N PHE A 83 0.311 -3.032 5.714 1.00 0.00 N ATOM 1212 CA PHE A 83 0.164 -4.446 5.391 1.00 0.00 C ATOM 1213 C PHE A 83 1.369 -4.953 4.604 1.00 0.00 C ATOM 1214 O PHE A 83 1.908 -4.246 3.753 1.00 0.00 O ATOM 1215 CB PHE A 83 -1.118 -4.678 4.590 1.00 0.00 C ATOM 1216 CG PHE A 83 -1.533 -6.120 4.525 1.00 0.00 C ATOM 1217 CD1 PHE A 83 -2.073 -6.749 5.636 1.00 0.00 C ATOM 1218 CD2 PHE A 83 -1.382 -6.847 3.355 1.00 0.00 C ATOM 1219 CE1 PHE A 83 -2.455 -8.076 5.579 1.00 0.00 C ATOM 1220 CE2 PHE A 83 -1.762 -8.173 3.293 1.00 0.00 C ATOM 1221 CZ PHE A 83 -2.299 -8.789 4.406 1.00 0.00 C ATOM 0 H PHE A 83 0.212 -2.405 4.916 1.00 0.00 H new ATOM 0 HA PHE A 83 0.104 -5.002 6.327 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -1.925 -4.096 5.035 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -0.976 -4.303 3.576 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -2.196 -6.196 6.556 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -0.962 -6.371 2.481 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -2.875 -8.555 6.451 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -1.639 -8.728 2.375 1.00 0.00 H new ATOM 0 HZ PHE A 83 -2.596 -9.826 4.360 1.00 0.00 H new ATOM 1231 N LEU A 84 1.785 -6.180 4.896 1.00 0.00 N ATOM 1232 CA LEU A 84 2.926 -6.782 4.215 1.00 0.00 C ATOM 1233 C LEU A 84 2.793 -8.300 4.169 1.00 0.00 C ATOM 1234 O LEU A 84 3.083 -8.989 5.148 1.00 0.00 O ATOM 1235 CB LEU A 84 4.229 -6.393 4.917 1.00 0.00 C ATOM 1236 CG LEU A 84 4.718 -4.971 4.634 1.00 0.00 C ATOM 1237 CD1 LEU A 84 5.836 -4.591 5.591 1.00 0.00 C ATOM 1238 CD2 LEU A 84 5.184 -4.848 3.190 1.00 0.00 C ATOM 0 H LEU A 84 1.350 -6.777 5.599 1.00 0.00 H new ATOM 0 HA LEU A 84 2.947 -6.406 3.192 1.00 0.00 H new ATOM 0 HB2 LEU A 84 4.092 -6.506 5.992 1.00 0.00 H new ATOM 0 HB3 LEU A 84 5.008 -7.095 4.619 1.00 0.00 H new ATOM 0 HG LEU A 84 3.887 -4.282 4.788 1.00 0.00 H new ATOM 0 HD11 LEU A 84 6.171 -3.577 5.375 1.00 0.00 H new ATOM 0 HD12 LEU A 84 5.470 -4.641 6.616 1.00 0.00 H new ATOM 0 HD13 LEU A 84 6.670 -5.282 5.469 1.00 0.00 H new ATOM 0 HD21 LEU A 84 5.529 -3.831 3.004 1.00 0.00 H new ATOM 0 HD22 LEU A 84 6.001 -5.547 3.011 1.00 0.00 H new ATOM 0 HD23 LEU A 84 4.356 -5.078 2.520 1.00 0.00 H new ATOM 1250 N GLY A 85 2.354 -8.816 3.026 1.00 0.00 N ATOM 1251 CA GLY A 85 2.191 -10.250 2.873 1.00 0.00 C ATOM 1252 C GLY A 85 1.510 -10.621 1.571 1.00 0.00 C ATOM 1253 O GLY A 85 2.055 -10.394 0.490 1.00 0.00 O ATOM 0 H GLY A 85 2.108 -8.267 2.203 1.00 0.00 H new ATOM 0 HA2 GLY A 85 3.168 -10.730 2.918 1.00 0.00 H new ATOM 0 HA3 GLY A 85 1.607 -10.637 3.708 1.00 0.00 H new ATOM 1257 N GLU A 86 0.316 -11.195 1.672 1.00 0.00 N ATOM 1258 CA GLU A 86 -0.441 -11.600 0.493 1.00 0.00 C ATOM 1259 C GLU A 86 -1.909 -11.209 0.628 1.00 0.00 C ATOM 1260 O GLU A 86 -2.435 -11.106 1.736 1.00 0.00 O ATOM 1261 CB GLU A 86 -0.322 -13.110 0.277 1.00 0.00 C ATOM 1262 CG GLU A 86 0.925 -13.518 -0.492 1.00 0.00 C ATOM 1263 CD GLU A 86 0.940 -14.995 -0.834 1.00 0.00 C ATOM 1264 OE1 GLU A 86 0.197 -15.763 -0.188 1.00 0.00 O ATOM 1265 OE2 GLU A 86 1.697 -15.384 -1.749 1.00 0.00 O ATOM 0 H GLU A 86 -0.149 -11.390 2.559 1.00 0.00 H new ATOM 0 HA GLU A 86 -0.023 -11.083 -0.371 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -0.320 -13.608 1.246 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -1.202 -13.462 -0.261 1.00 0.00 H new ATOM 0 HG2 GLU A 86 0.988 -12.935 -1.411 1.00 0.00 H new ATOM 0 HG3 GLU A 86 1.808 -13.277 0.100 1.00 0.00 H new ATOM 1272 N THR A 87 -2.565 -10.992 -0.508 1.00 0.00 N ATOM 1273 CA THR A 87 -3.974 -10.613 -0.516 1.00 0.00 C ATOM 1274 C THR A 87 -4.859 -11.817 -0.816 1.00 0.00 C ATOM 1275 O THR A 87 -4.370 -12.885 -1.184 1.00 0.00 O ATOM 1276 CB THR A 87 -4.220 -9.513 -1.551 1.00 0.00 C ATOM 1277 OG1 THR A 87 -4.132 -10.033 -2.866 1.00 0.00 O ATOM 1278 CG2 THR A 87 -3.243 -8.362 -1.446 1.00 0.00 C ATOM 0 H THR A 87 -2.144 -11.072 -1.434 1.00 0.00 H new ATOM 0 HA THR A 87 -4.230 -10.235 0.474 1.00 0.00 H new ATOM 0 HB THR A 87 -5.222 -9.138 -1.341 1.00 0.00 H new ATOM 0 HG1 THR A 87 -3.578 -10.841 -2.862 1.00 0.00 H new ATOM 0 HG21 THR A 87 -3.474 -7.618 -2.208 1.00 0.00 H new ATOM 0 HG22 THR A 87 -3.322 -7.907 -0.459 1.00 0.00 H new ATOM 0 HG23 THR A 87 -2.228 -8.731 -1.595 1.00 0.00 H new ATOM 1286 N GLN A 88 -6.167 -11.637 -0.657 1.00 0.00 N ATOM 1287 CA GLN A 88 -7.121 -12.710 -0.912 1.00 0.00 C ATOM 1288 C GLN A 88 -7.516 -12.750 -2.384 1.00 0.00 C ATOM 1289 O GLN A 88 -7.643 -13.823 -2.974 1.00 0.00 O ATOM 1290 CB GLN A 88 -8.367 -12.529 -0.042 1.00 0.00 C ATOM 1291 CG GLN A 88 -8.196 -13.034 1.381 1.00 0.00 C ATOM 1292 CD GLN A 88 -6.992 -12.427 2.074 1.00 0.00 C ATOM 1293 OE1 GLN A 88 -7.112 -11.441 2.803 1.00 0.00 O ATOM 1294 NE2 GLN A 88 -5.821 -13.012 1.850 1.00 0.00 N ATOM 0 H GLN A 88 -6.589 -10.760 -0.353 1.00 0.00 H new ATOM 0 HA GLN A 88 -6.642 -13.656 -0.658 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -8.629 -11.471 -0.014 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -9.203 -13.053 -0.506 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -9.094 -12.805 1.954 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -8.094 -14.119 1.368 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -5.767 -13.827 1.239 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -4.976 -12.646 2.289 1.00 0.00 H new ATOM 1303 N PHE A 89 -7.710 -11.574 -2.972 1.00 0.00 N ATOM 1304 CA PHE A 89 -8.092 -11.475 -4.376 1.00 0.00 C ATOM 1305 C PHE A 89 -6.932 -11.872 -5.285 1.00 0.00 C ATOM 1306 O PHE A 89 -7.138 -12.402 -6.376 1.00 0.00 O ATOM 1307 CB PHE A 89 -8.547 -10.052 -4.705 1.00 0.00 C ATOM 1308 CG PHE A 89 -7.471 -9.020 -4.527 1.00 0.00 C ATOM 1309 CD1 PHE A 89 -7.259 -8.426 -3.294 1.00 0.00 C ATOM 1310 CD2 PHE A 89 -6.671 -8.644 -5.594 1.00 0.00 C ATOM 1311 CE1 PHE A 89 -6.269 -7.476 -3.127 1.00 0.00 C ATOM 1312 CE2 PHE A 89 -5.680 -7.694 -5.434 1.00 0.00 C ATOM 1313 CZ PHE A 89 -5.479 -7.110 -4.199 1.00 0.00 C ATOM 0 H PHE A 89 -7.609 -10.676 -2.498 1.00 0.00 H new ATOM 0 HA PHE A 89 -8.920 -12.163 -4.550 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -8.901 -10.022 -5.736 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -9.394 -9.794 -4.070 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -7.875 -8.708 -2.453 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -6.824 -9.098 -6.562 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -6.114 -7.021 -2.160 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -5.064 -7.409 -6.274 1.00 0.00 H new ATOM 0 HZ PHE A 89 -4.705 -6.368 -4.072 1.00 0.00 H new ATOM 1323 N ALA A 90 -5.711 -11.611 -4.827 1.00 0.00 N ATOM 1324 CA ALA A 90 -4.519 -11.943 -5.598 1.00 0.00 C ATOM 1325 C ALA A 90 -3.526 -12.745 -4.759 1.00 0.00 C ATOM 1326 O ALA A 90 -3.333 -12.464 -3.576 1.00 0.00 O ATOM 1327 CB ALA A 90 -3.864 -10.675 -6.126 1.00 0.00 C ATOM 0 H ALA A 90 -5.522 -11.171 -3.926 1.00 0.00 H new ATOM 0 HA ALA A 90 -4.823 -12.562 -6.442 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -2.975 -10.937 -6.700 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -4.566 -10.143 -6.767 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -3.581 -10.036 -5.289 1.00 0.00 H new ATOM 1333 N PRO A 91 -2.879 -13.759 -5.362 1.00 0.00 N ATOM 1334 CA PRO A 91 -1.904 -14.598 -4.661 1.00 0.00 C ATOM 1335 C PRO A 91 -0.565 -13.895 -4.467 1.00 0.00 C ATOM 1336 O PRO A 91 0.163 -14.175 -3.516 1.00 0.00 O ATOM 1337 CB PRO A 91 -1.748 -15.798 -5.592 1.00 0.00 C ATOM 1338 CG PRO A 91 -2.020 -15.255 -6.952 1.00 0.00 C ATOM 1339 CD PRO A 91 -3.046 -14.167 -6.771 1.00 0.00 C ATOM 0 HA PRO A 91 -2.234 -14.857 -3.655 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -0.746 -16.222 -5.527 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -2.448 -16.593 -5.335 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -1.110 -14.861 -7.403 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -2.393 -16.035 -7.616 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -2.871 -13.334 -7.452 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -4.055 -14.531 -6.965 1.00 0.00 H new ATOM 1347 N GLY A 92 -0.245 -12.982 -5.378 1.00 0.00 N ATOM 1348 CA GLY A 92 1.007 -12.253 -5.292 1.00 0.00 C ATOM 1349 C GLY A 92 1.147 -11.490 -3.989 1.00 0.00 C ATOM 1350 O GLY A 92 0.180 -11.341 -3.242 1.00 0.00 O ATOM 0 H GLY A 92 -0.831 -12.734 -6.175 1.00 0.00 H new ATOM 0 HA2 GLY A 92 1.838 -12.952 -5.391 1.00 0.00 H new ATOM 0 HA3 GLY A 92 1.076 -11.555 -6.127 1.00 0.00 H new ATOM 1354 N GLN A 93 2.354 -11.003 -3.718 1.00 0.00 N ATOM 1355 CA GLN A 93 2.618 -10.251 -2.497 1.00 0.00 C ATOM 1356 C GLN A 93 2.417 -8.756 -2.726 1.00 0.00 C ATOM 1357 O GLN A 93 2.945 -8.188 -3.681 1.00 0.00 O ATOM 1358 CB GLN A 93 4.042 -10.518 -2.008 1.00 0.00 C ATOM 1359 CG GLN A 93 4.337 -11.989 -1.765 1.00 0.00 C ATOM 1360 CD GLN A 93 5.214 -12.216 -0.549 1.00 0.00 C ATOM 1361 OE1 GLN A 93 6.315 -12.756 -0.654 1.00 0.00 O ATOM 1362 NE2 GLN A 93 4.728 -11.802 0.616 1.00 0.00 N ATOM 0 H GLN A 93 3.164 -11.116 -4.327 1.00 0.00 H new ATOM 0 HA GLN A 93 1.912 -10.581 -1.735 1.00 0.00 H new ATOM 0 HB2 GLN A 93 4.748 -10.131 -2.743 1.00 0.00 H new ATOM 0 HB3 GLN A 93 4.209 -9.965 -1.084 1.00 0.00 H new ATOM 0 HG2 GLN A 93 3.398 -12.527 -1.636 1.00 0.00 H new ATOM 0 HG3 GLN A 93 4.827 -12.407 -2.644 1.00 0.00 H new ATOM 0 HE21 GLN A 93 3.810 -11.359 0.657 1.00 0.00 H new ATOM 0 HE22 GLN A 93 5.273 -11.927 1.469 1.00 0.00 H new ATOM 1371 N TRP A 94 1.653 -8.125 -1.841 1.00 0.00 N ATOM 1372 CA TRP A 94 1.382 -6.696 -1.945 1.00 0.00 C ATOM 1373 C TRP A 94 1.874 -5.957 -0.704 1.00 0.00 C ATOM 1374 O TRP A 94 2.402 -6.569 0.226 1.00 0.00 O ATOM 1375 CB TRP A 94 -0.116 -6.452 -2.137 1.00 0.00 C ATOM 1376 CG TRP A 94 -0.653 -7.033 -3.410 1.00 0.00 C ATOM 1377 CD1 TRP A 94 -0.698 -8.354 -3.754 1.00 0.00 C ATOM 1378 CD2 TRP A 94 -1.222 -6.312 -4.509 1.00 0.00 C ATOM 1379 NE1 TRP A 94 -1.260 -8.497 -4.999 1.00 0.00 N ATOM 1380 CE2 TRP A 94 -1.589 -7.258 -5.483 1.00 0.00 C ATOM 1381 CE3 TRP A 94 -1.457 -4.958 -4.763 1.00 0.00 C ATOM 1382 CZ2 TRP A 94 -2.178 -6.893 -6.691 1.00 0.00 C ATOM 1383 CZ3 TRP A 94 -2.041 -4.597 -5.963 1.00 0.00 C ATOM 1384 CH2 TRP A 94 -2.397 -5.561 -6.913 1.00 0.00 C ATOM 0 H TRP A 94 1.210 -8.581 -1.043 1.00 0.00 H new ATOM 0 HA TRP A 94 1.920 -6.312 -2.812 1.00 0.00 H new ATOM 0 HB2 TRP A 94 -0.658 -6.880 -1.294 1.00 0.00 H new ATOM 0 HB3 TRP A 94 -0.306 -5.379 -2.127 1.00 0.00 H new ATOM 0 HD1 TRP A 94 -0.344 -9.167 -3.137 1.00 0.00 H new ATOM 0 HE1 TRP A 94 -1.408 -9.382 -5.484 1.00 0.00 H new ATOM 0 HE3 TRP A 94 -1.187 -4.207 -4.035 1.00 0.00 H new ATOM 0 HZ2 TRP A 94 -2.452 -7.635 -7.426 1.00 0.00 H new ATOM 0 HZ3 TRP A 94 -2.226 -3.553 -6.171 1.00 0.00 H new ATOM 0 HH2 TRP A 94 -2.854 -5.247 -7.840 1.00 0.00 H new ATOM 1395 N ALA A 95 1.696 -4.641 -0.695 1.00 0.00 N ATOM 1396 CA ALA A 95 2.122 -3.820 0.432 1.00 0.00 C ATOM 1397 C ALA A 95 1.282 -2.552 0.535 1.00 0.00 C ATOM 1398 O ALA A 95 1.470 -1.606 -0.230 1.00 0.00 O ATOM 1399 CB ALA A 95 3.597 -3.471 0.302 1.00 0.00 C ATOM 0 H ALA A 95 1.260 -4.120 -1.455 1.00 0.00 H new ATOM 0 HA ALA A 95 1.976 -4.396 1.346 1.00 0.00 H new ATOM 0 HB1 ALA A 95 3.902 -2.858 1.150 1.00 0.00 H new ATOM 0 HB2 ALA A 95 4.188 -4.387 0.286 1.00 0.00 H new ATOM 0 HB3 ALA A 95 3.760 -2.918 -0.623 1.00 0.00 H new ATOM 1405 N GLY A 96 0.356 -2.537 1.488 1.00 0.00 N ATOM 1406 CA GLY A 96 -0.498 -1.379 1.675 1.00 0.00 C ATOM 1407 C GLY A 96 0.259 -0.179 2.207 1.00 0.00 C ATOM 1408 O GLY A 96 1.236 -0.330 2.941 1.00 0.00 O ATOM 0 H GLY A 96 0.182 -3.307 2.134 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -0.964 -1.118 0.725 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -1.302 -1.633 2.366 1.00 0.00 H new ATOM 1412 N ILE A 97 -0.190 1.015 1.836 1.00 0.00 N ATOM 1413 CA ILE A 97 0.453 2.245 2.281 1.00 0.00 C ATOM 1414 C ILE A 97 -0.575 3.341 2.539 1.00 0.00 C ATOM 1415 O ILE A 97 -1.517 3.517 1.767 1.00 0.00 O ATOM 1416 CB ILE A 97 1.477 2.751 1.247 1.00 0.00 C ATOM 1417 CG1 ILE A 97 2.400 1.612 0.809 1.00 0.00 C ATOM 1418 CG2 ILE A 97 2.284 3.905 1.821 1.00 0.00 C ATOM 1419 CD1 ILE A 97 3.324 1.986 -0.328 1.00 0.00 C ATOM 0 H ILE A 97 -0.997 1.157 1.228 1.00 0.00 H new ATOM 0 HA ILE A 97 0.972 2.011 3.210 1.00 0.00 H new ATOM 0 HB ILE A 97 0.938 3.112 0.371 1.00 0.00 H new ATOM 0 HG12 ILE A 97 2.998 1.292 1.662 1.00 0.00 H new ATOM 0 HG13 ILE A 97 1.793 0.759 0.507 1.00 0.00 H new ATOM 0 HG21 ILE A 97 3.003 4.251 1.078 1.00 0.00 H new ATOM 0 HG22 ILE A 97 1.613 4.722 2.085 1.00 0.00 H new ATOM 0 HG23 ILE A 97 2.815 3.570 2.712 1.00 0.00 H new ATOM 0 HD11 ILE A 97 3.949 1.131 -0.586 1.00 0.00 H new ATOM 0 HD12 ILE A 97 2.733 2.278 -1.196 1.00 0.00 H new ATOM 0 HD13 ILE A 97 3.957 2.819 -0.023 1.00 0.00 H new ATOM 1431 N VAL A 98 -0.387 4.077 3.630 1.00 0.00 N ATOM 1432 CA VAL A 98 -1.297 5.158 3.989 1.00 0.00 C ATOM 1433 C VAL A 98 -0.764 6.505 3.516 1.00 0.00 C ATOM 1434 O VAL A 98 0.192 7.038 4.078 1.00 0.00 O ATOM 1435 CB VAL A 98 -1.527 5.217 5.511 1.00 0.00 C ATOM 1436 CG1 VAL A 98 -2.626 6.213 5.847 1.00 0.00 C ATOM 1437 CG2 VAL A 98 -1.863 3.837 6.054 1.00 0.00 C ATOM 0 H VAL A 98 0.387 3.944 4.280 1.00 0.00 H new ATOM 0 HA VAL A 98 -2.245 4.950 3.493 1.00 0.00 H new ATOM 0 HB VAL A 98 -0.606 5.554 5.986 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -2.774 6.241 6.927 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -2.339 7.204 5.494 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -3.553 5.909 5.361 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -2.022 3.898 7.131 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -2.769 3.468 5.574 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -1.039 3.154 5.847 1.00 0.00 H new ATOM 1447 N LEU A 99 -1.389 7.050 2.477 1.00 0.00 N ATOM 1448 CA LEU A 99 -0.977 8.336 1.927 1.00 0.00 C ATOM 1449 C LEU A 99 -1.319 9.473 2.886 1.00 0.00 C ATOM 1450 O LEU A 99 -2.031 9.275 3.870 1.00 0.00 O ATOM 1451 CB LEU A 99 -1.648 8.576 0.574 1.00 0.00 C ATOM 1452 CG LEU A 99 -1.497 7.437 -0.435 1.00 0.00 C ATOM 1453 CD1 LEU A 99 -2.493 7.596 -1.574 1.00 0.00 C ATOM 1454 CD2 LEU A 99 -0.073 7.387 -0.971 1.00 0.00 C ATOM 0 H LEU A 99 -2.182 6.621 2.000 1.00 0.00 H new ATOM 0 HA LEU A 99 0.104 8.313 1.789 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -2.710 8.756 0.739 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -1.235 9.485 0.137 1.00 0.00 H new ATOM 0 HG LEU A 99 -1.707 6.496 0.073 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -2.370 6.776 -2.282 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -3.507 7.582 -1.175 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -2.316 8.544 -2.082 1.00 0.00 H new ATOM 0 HD21 LEU A 99 0.018 6.571 -1.688 1.00 0.00 H new ATOM 0 HD22 LEU A 99 0.164 8.330 -1.463 1.00 0.00 H new ATOM 0 HD23 LEU A 99 0.621 7.224 -0.146 1.00 0.00 H new ATOM 1466 N ASP A 100 -0.807 10.663 2.591 1.00 0.00 N ATOM 1467 CA ASP A 100 -1.058 11.831 3.427 1.00 0.00 C ATOM 1468 C ASP A 100 -2.338 12.541 3.001 1.00 0.00 C ATOM 1469 O ASP A 100 -3.061 13.091 3.832 1.00 0.00 O ATOM 1470 CB ASP A 100 0.123 12.799 3.354 1.00 0.00 C ATOM 1471 CG ASP A 100 0.018 13.918 4.372 1.00 0.00 C ATOM 1472 OD1 ASP A 100 -0.403 13.642 5.515 1.00 0.00 O ATOM 1473 OD2 ASP A 100 0.356 15.069 4.026 1.00 0.00 O ATOM 0 H ASP A 100 -0.216 10.844 1.780 1.00 0.00 H new ATOM 0 HA ASP A 100 -1.178 11.491 4.456 1.00 0.00 H new ATOM 0 HB2 ASP A 100 1.050 12.249 3.517 1.00 0.00 H new ATOM 0 HB3 ASP A 100 0.177 13.226 2.353 1.00 0.00 H new ATOM 1478 N GLU A 101 -2.614 12.525 1.701 1.00 0.00 N ATOM 1479 CA GLU A 101 -3.808 13.169 1.164 1.00 0.00 C ATOM 1480 C GLU A 101 -4.669 12.168 0.399 1.00 0.00 C ATOM 1481 O GLU A 101 -4.175 11.143 -0.072 1.00 0.00 O ATOM 1482 CB GLU A 101 -3.418 14.330 0.247 1.00 0.00 C ATOM 1483 CG GLU A 101 -3.342 15.669 0.961 1.00 0.00 C ATOM 1484 CD GLU A 101 -4.563 16.533 0.711 1.00 0.00 C ATOM 1485 OE1 GLU A 101 -4.568 17.276 -0.292 1.00 0.00 O ATOM 1486 OE2 GLU A 101 -5.513 16.466 1.519 1.00 0.00 O ATOM 0 H GLU A 101 -2.027 12.073 1.000 1.00 0.00 H new ATOM 0 HA GLU A 101 -4.389 13.556 2.001 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -2.451 14.114 -0.207 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -4.143 14.401 -0.564 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -3.234 15.500 2.032 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -2.450 16.202 0.631 1.00 0.00 H new ATOM 1493 N PRO A 102 -5.976 12.453 0.263 1.00 0.00 N ATOM 1494 CA PRO A 102 -6.907 11.573 -0.450 1.00 0.00 C ATOM 1495 C PRO A 102 -6.654 11.558 -1.955 1.00 0.00 C ATOM 1496 O PRO A 102 -7.496 11.991 -2.741 1.00 0.00 O ATOM 1497 CB PRO A 102 -8.278 12.182 -0.143 1.00 0.00 C ATOM 1498 CG PRO A 102 -8.000 13.617 0.140 1.00 0.00 C ATOM 1499 CD PRO A 102 -6.646 13.655 0.793 1.00 0.00 C ATOM 0 HA PRO A 102 -6.808 10.534 -0.135 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -8.959 12.070 -0.987 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -8.746 11.693 0.712 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -8.007 14.204 -0.778 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -8.761 14.040 0.795 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -6.102 14.564 0.537 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -6.723 13.625 1.880 1.00 0.00 H new ATOM 1507 N ILE A 103 -5.489 11.055 -2.348 1.00 0.00 N ATOM 1508 CA ILE A 103 -5.124 10.982 -3.758 1.00 0.00 C ATOM 1509 C ILE A 103 -5.091 9.539 -4.252 1.00 0.00 C ATOM 1510 O ILE A 103 -5.167 9.284 -5.454 1.00 0.00 O ATOM 1511 CB ILE A 103 -3.751 11.632 -4.018 1.00 0.00 C ATOM 1512 CG1 ILE A 103 -2.704 11.071 -3.055 1.00 0.00 C ATOM 1513 CG2 ILE A 103 -3.847 13.145 -3.883 1.00 0.00 C ATOM 1514 CD1 ILE A 103 -1.291 11.496 -3.386 1.00 0.00 C ATOM 0 H ILE A 103 -4.781 10.692 -1.710 1.00 0.00 H new ATOM 0 HA ILE A 103 -5.890 11.530 -4.307 1.00 0.00 H new ATOM 0 HB ILE A 103 -3.442 11.396 -5.036 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -2.944 11.393 -2.042 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -2.759 9.982 -3.065 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -2.869 13.590 -4.069 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -4.565 13.530 -4.607 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -4.175 13.400 -2.876 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -0.601 11.062 -2.662 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -1.032 11.150 -4.387 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -1.220 12.583 -3.348 1.00 0.00 H new ATOM 1526 N GLY A 104 -4.976 8.595 -3.320 1.00 0.00 N ATOM 1527 CA GLY A 104 -4.936 7.193 -3.687 1.00 0.00 C ATOM 1528 C GLY A 104 -6.179 6.750 -4.434 1.00 0.00 C ATOM 1529 O GLY A 104 -6.902 7.575 -4.993 1.00 0.00 O ATOM 0 H GLY A 104 -4.910 8.778 -2.319 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -4.059 7.008 -4.307 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -4.823 6.589 -2.787 1.00 0.00 H new ATOM 1533 N LYS A 105 -6.428 5.445 -4.445 1.00 0.00 N ATOM 1534 CA LYS A 105 -7.591 4.894 -5.131 1.00 0.00 C ATOM 1535 C LYS A 105 -8.134 3.674 -4.395 1.00 0.00 C ATOM 1536 O LYS A 105 -8.585 2.712 -5.016 1.00 0.00 O ATOM 1537 CB LYS A 105 -7.230 4.519 -6.569 1.00 0.00 C ATOM 1538 CG LYS A 105 -7.009 5.720 -7.474 1.00 0.00 C ATOM 1539 CD LYS A 105 -5.540 6.106 -7.536 1.00 0.00 C ATOM 1540 CE LYS A 105 -4.820 5.381 -8.661 1.00 0.00 C ATOM 1541 NZ LYS A 105 -3.392 5.791 -8.762 1.00 0.00 N ATOM 0 H LYS A 105 -5.840 4.749 -3.987 1.00 0.00 H new ATOM 0 HA LYS A 105 -8.367 5.659 -5.146 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -6.326 3.910 -6.561 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -8.026 3.902 -6.986 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -7.369 5.493 -8.477 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -7.593 6.565 -7.109 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -5.452 7.183 -7.681 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -5.061 5.872 -6.585 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -4.878 4.305 -8.495 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -5.324 5.585 -9.606 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -2.937 5.274 -9.541 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -3.336 6.813 -8.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -2.904 5.573 -7.870 1.00 0.00 H new ATOM 1555 N ASN A 106 -8.088 3.720 -3.067 1.00 0.00 N ATOM 1556 CA ASN A 106 -8.577 2.619 -2.246 1.00 0.00 C ATOM 1557 C ASN A 106 -8.718 3.047 -0.789 1.00 0.00 C ATOM 1558 O ASN A 106 -8.296 4.138 -0.409 1.00 0.00 O ATOM 1559 CB ASN A 106 -7.632 1.421 -2.348 1.00 0.00 C ATOM 1560 CG ASN A 106 -8.008 0.481 -3.478 1.00 0.00 C ATOM 1561 OD1 ASN A 106 -7.442 0.546 -4.569 1.00 0.00 O ATOM 1562 ND2 ASN A 106 -8.969 -0.398 -3.220 1.00 0.00 N ATOM 0 H ASN A 106 -7.717 4.508 -2.537 1.00 0.00 H new ATOM 0 HA ASN A 106 -9.560 2.331 -2.618 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -6.613 1.778 -2.500 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -7.641 0.873 -1.406 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -9.266 -1.056 -3.941 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -9.410 -0.416 -2.301 1.00 0.00 H new ATOM 1569 N ASP A 107 -9.315 2.180 0.022 1.00 0.00 N ATOM 1570 CA ASP A 107 -9.512 2.470 1.439 1.00 0.00 C ATOM 1571 C ASP A 107 -8.755 1.475 2.318 1.00 0.00 C ATOM 1572 O ASP A 107 -9.025 1.362 3.514 1.00 0.00 O ATOM 1573 CB ASP A 107 -11.002 2.437 1.784 1.00 0.00 C ATOM 1574 CG ASP A 107 -11.741 3.657 1.269 1.00 0.00 C ATOM 1575 OD1 ASP A 107 -11.481 4.067 0.118 1.00 0.00 O ATOM 1576 OD2 ASP A 107 -12.580 4.202 2.017 1.00 0.00 O ATOM 0 H ASP A 107 -9.671 1.272 -0.276 1.00 0.00 H new ATOM 0 HA ASP A 107 -9.118 3.468 1.634 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -11.450 1.538 1.361 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -11.121 2.373 2.866 1.00 0.00 H new ATOM 1581 N GLY A 108 -7.804 0.758 1.722 1.00 0.00 N ATOM 1582 CA GLY A 108 -7.028 -0.211 2.474 1.00 0.00 C ATOM 1583 C GLY A 108 -7.601 -1.614 2.389 1.00 0.00 C ATOM 1584 O GLY A 108 -6.873 -2.596 2.527 1.00 0.00 O ATOM 0 H GLY A 108 -7.559 0.832 0.735 1.00 0.00 H new ATOM 0 HA2 GLY A 108 -6.004 -0.218 2.101 1.00 0.00 H new ATOM 0 HA3 GLY A 108 -6.985 0.097 3.519 1.00 0.00 H new ATOM 1588 N SER A 109 -8.907 -1.707 2.165 1.00 0.00 N ATOM 1589 CA SER A 109 -9.574 -3.000 2.065 1.00 0.00 C ATOM 1590 C SER A 109 -9.933 -3.319 0.617 1.00 0.00 C ATOM 1591 O SER A 109 -9.979 -2.430 -0.232 1.00 0.00 O ATOM 1592 CB SER A 109 -10.836 -3.015 2.929 1.00 0.00 C ATOM 1593 OG SER A 109 -11.859 -2.219 2.354 1.00 0.00 O ATOM 0 H SER A 109 -9.524 -0.903 2.049 1.00 0.00 H new ATOM 0 HA SER A 109 -8.885 -3.763 2.426 1.00 0.00 H new ATOM 0 HB2 SER A 109 -11.190 -4.040 3.044 1.00 0.00 H new ATOM 0 HB3 SER A 109 -10.601 -2.645 3.927 1.00 0.00 H new ATOM 0 HG SER A 109 -12.655 -2.247 2.925 1.00 0.00 H new ATOM 1599 N VAL A 110 -10.187 -4.595 0.344 1.00 0.00 N ATOM 1600 CA VAL A 110 -10.542 -5.032 -1.000 1.00 0.00 C ATOM 1601 C VAL A 110 -11.737 -5.979 -0.971 1.00 0.00 C ATOM 1602 O VAL A 110 -11.646 -7.093 -0.456 1.00 0.00 O ATOM 1603 CB VAL A 110 -9.361 -5.737 -1.693 1.00 0.00 C ATOM 1604 CG1 VAL A 110 -9.684 -6.011 -3.155 1.00 0.00 C ATOM 1605 CG2 VAL A 110 -8.093 -4.905 -1.567 1.00 0.00 C ATOM 0 H VAL A 110 -10.153 -5.344 1.036 1.00 0.00 H new ATOM 0 HA VAL A 110 -10.803 -4.137 -1.565 1.00 0.00 H new ATOM 0 HB VAL A 110 -9.192 -6.693 -1.197 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -8.838 -6.509 -3.627 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -10.564 -6.651 -3.219 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -9.882 -5.069 -3.667 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -7.270 -5.419 -2.063 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -8.248 -3.933 -2.035 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -7.852 -4.766 -0.513 1.00 0.00 H new ATOM 1615 N ALA A 111 -12.856 -5.527 -1.526 1.00 0.00 N ATOM 1616 CA ALA A 111 -14.070 -6.334 -1.563 1.00 0.00 C ATOM 1617 C ALA A 111 -14.544 -6.675 -0.154 1.00 0.00 C ATOM 1618 O ALA A 111 -15.144 -7.727 0.072 1.00 0.00 O ATOM 1619 CB ALA A 111 -13.834 -7.604 -2.369 1.00 0.00 C ATOM 0 H ALA A 111 -12.948 -4.607 -1.956 1.00 0.00 H new ATOM 0 HA ALA A 111 -14.853 -5.751 -2.048 1.00 0.00 H new ATOM 0 HB1 ALA A 111 -14.748 -8.197 -2.389 1.00 0.00 H new ATOM 0 HB2 ALA A 111 -13.550 -7.341 -3.388 1.00 0.00 H new ATOM 0 HB3 ALA A 111 -13.035 -8.184 -1.908 1.00 0.00 H new ATOM 1625 N GLY A 112 -14.272 -5.780 0.790 1.00 0.00 N ATOM 1626 CA GLY A 112 -14.678 -6.005 2.164 1.00 0.00 C ATOM 1627 C GLY A 112 -13.548 -6.535 3.026 1.00 0.00 C ATOM 1628 O GLY A 112 -13.556 -6.362 4.244 1.00 0.00 O ATOM 0 H GLY A 112 -13.777 -4.903 0.627 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -15.046 -5.071 2.588 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -15.507 -6.712 2.183 1.00 0.00 H new ATOM 1632 N VAL A 113 -12.576 -7.183 2.392 1.00 0.00 N ATOM 1633 CA VAL A 113 -11.436 -7.741 3.110 1.00 0.00 C ATOM 1634 C VAL A 113 -10.512 -6.637 3.613 1.00 0.00 C ATOM 1635 O VAL A 113 -9.776 -6.027 2.837 1.00 0.00 O ATOM 1636 CB VAL A 113 -10.629 -8.707 2.222 1.00 0.00 C ATOM 1637 CG1 VAL A 113 -9.539 -9.395 3.030 1.00 0.00 C ATOM 1638 CG2 VAL A 113 -11.547 -9.732 1.571 1.00 0.00 C ATOM 0 H VAL A 113 -12.555 -7.334 1.384 1.00 0.00 H new ATOM 0 HA VAL A 113 -11.836 -8.293 3.960 1.00 0.00 H new ATOM 0 HB VAL A 113 -10.152 -8.128 1.432 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -8.981 -10.073 2.385 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -8.863 -8.645 3.441 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -9.992 -9.960 3.845 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -10.957 -10.405 0.948 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -12.057 -10.307 2.344 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -12.285 -9.219 0.954 1.00 0.00 H new ATOM 1648 N ARG A 114 -10.553 -6.386 4.918 1.00 0.00 N ATOM 1649 CA ARG A 114 -9.719 -5.355 5.525 1.00 0.00 C ATOM 1650 C ARG A 114 -8.333 -5.901 5.850 1.00 0.00 C ATOM 1651 O ARG A 114 -8.199 -6.903 6.554 1.00 0.00 O ATOM 1652 CB ARG A 114 -10.380 -4.818 6.795 1.00 0.00 C ATOM 1653 CG ARG A 114 -10.118 -3.340 7.038 1.00 0.00 C ATOM 1654 CD ARG A 114 -11.357 -2.633 7.566 1.00 0.00 C ATOM 1655 NE ARG A 114 -11.939 -3.328 8.711 1.00 0.00 N ATOM 1656 CZ ARG A 114 -12.813 -2.775 9.549 1.00 0.00 C ATOM 1657 NH1 ARG A 114 -13.207 -1.521 9.373 1.00 0.00 N ATOM 1658 NH2 ARG A 114 -13.293 -3.479 10.565 1.00 0.00 N ATOM 0 H ARG A 114 -11.155 -6.882 5.575 1.00 0.00 H new ATOM 0 HA ARG A 114 -9.610 -4.540 4.809 1.00 0.00 H new ATOM 0 HB2 ARG A 114 -11.456 -4.982 6.732 1.00 0.00 H new ATOM 0 HB3 ARG A 114 -10.020 -5.388 7.651 1.00 0.00 H new ATOM 0 HG2 ARG A 114 -9.302 -3.227 7.751 1.00 0.00 H new ATOM 0 HG3 ARG A 114 -9.797 -2.869 6.109 1.00 0.00 H new ATOM 0 HD2 ARG A 114 -11.098 -1.614 7.854 1.00 0.00 H new ATOM 0 HD3 ARG A 114 -12.099 -2.560 6.771 1.00 0.00 H new ATOM 0 HE ARG A 114 -11.659 -4.294 8.879 1.00 0.00 H new ATOM 0 HH11 ARG A 114 -12.840 -0.976 8.593 1.00 0.00 H new ATOM 0 HH12 ARG A 114 -13.877 -1.102 10.018 1.00 0.00 H new ATOM 0 HH21 ARG A 114 -12.992 -4.444 10.704 1.00 0.00 H new ATOM 0 HH22 ARG A 114 -13.963 -3.056 11.207 1.00 0.00 H new ATOM 1672 N TYR A 115 -7.305 -5.237 5.333 1.00 0.00 N ATOM 1673 CA TYR A 115 -5.928 -5.656 5.570 1.00 0.00 C ATOM 1674 C TYR A 115 -5.234 -4.720 6.554 1.00 0.00 C ATOM 1675 O TYR A 115 -4.411 -5.152 7.361 1.00 0.00 O ATOM 1676 CB TYR A 115 -5.152 -5.695 4.251 1.00 0.00 C ATOM 1677 CG TYR A 115 -5.795 -6.565 3.195 1.00 0.00 C ATOM 1678 CD1 TYR A 115 -6.789 -6.064 2.366 1.00 0.00 C ATOM 1679 CD2 TYR A 115 -5.407 -7.890 3.029 1.00 0.00 C ATOM 1680 CE1 TYR A 115 -7.380 -6.856 1.399 1.00 0.00 C ATOM 1681 CE2 TYR A 115 -5.992 -8.688 2.065 1.00 0.00 C ATOM 1682 CZ TYR A 115 -6.978 -8.168 1.253 1.00 0.00 C ATOM 1683 OH TYR A 115 -7.563 -8.961 0.293 1.00 0.00 O ATOM 0 H TYR A 115 -7.399 -4.407 4.748 1.00 0.00 H new ATOM 0 HA TYR A 115 -5.949 -6.656 6.003 1.00 0.00 H new ATOM 0 HB2 TYR A 115 -5.057 -4.680 3.865 1.00 0.00 H new ATOM 0 HB3 TYR A 115 -4.143 -6.058 4.444 1.00 0.00 H new ATOM 0 HD1 TYR A 115 -7.106 -5.038 2.478 1.00 0.00 H new ATOM 0 HD2 TYR A 115 -4.636 -8.302 3.664 1.00 0.00 H new ATOM 0 HE1 TYR A 115 -8.152 -6.450 0.762 1.00 0.00 H new ATOM 0 HE2 TYR A 115 -5.679 -9.715 1.948 1.00 0.00 H new ATOM 0 HH TYR A 115 -7.846 -8.405 -0.463 1.00 0.00 H new ATOM 1693 N PHE A 116 -5.571 -3.437 6.481 1.00 0.00 N ATOM 1694 CA PHE A 116 -4.980 -2.440 7.366 1.00 0.00 C ATOM 1695 C PHE A 116 -5.881 -1.216 7.488 1.00 0.00 C ATOM 1696 O PHE A 116 -6.251 -0.603 6.487 1.00 0.00 O ATOM 1697 CB PHE A 116 -3.601 -2.024 6.850 1.00 0.00 C ATOM 1698 CG PHE A 116 -3.634 -1.402 5.489 1.00 0.00 C ATOM 1699 CD1 PHE A 116 -3.648 -2.197 4.356 1.00 0.00 C ATOM 1700 CD2 PHE A 116 -3.645 -0.025 5.340 1.00 0.00 C ATOM 1701 CE1 PHE A 116 -3.674 -1.631 3.098 1.00 0.00 C ATOM 1702 CE2 PHE A 116 -3.671 0.547 4.084 1.00 0.00 C ATOM 1703 CZ PHE A 116 -3.685 -0.258 2.963 1.00 0.00 C ATOM 0 H PHE A 116 -6.250 -3.063 5.818 1.00 0.00 H new ATOM 0 HA PHE A 116 -4.871 -2.887 8.354 1.00 0.00 H new ATOM 0 HB2 PHE A 116 -3.157 -1.318 7.552 1.00 0.00 H new ATOM 0 HB3 PHE A 116 -2.952 -2.900 6.825 1.00 0.00 H new ATOM 0 HD1 PHE A 116 -3.638 -3.272 4.458 1.00 0.00 H new ATOM 0 HD2 PHE A 116 -3.633 0.608 6.215 1.00 0.00 H new ATOM 0 HE1 PHE A 116 -3.686 -2.261 2.221 1.00 0.00 H new ATOM 0 HE2 PHE A 116 -3.680 1.622 3.979 1.00 0.00 H new ATOM 0 HZ PHE A 116 -3.705 0.187 1.979 1.00 0.00 H new ATOM 1713 N GLN A 117 -6.232 -0.865 8.721 1.00 0.00 N ATOM 1714 CA GLN A 117 -7.090 0.286 8.974 1.00 0.00 C ATOM 1715 C GLN A 117 -6.412 1.577 8.525 1.00 0.00 C ATOM 1716 O GLN A 117 -5.313 1.901 8.974 1.00 0.00 O ATOM 1717 CB GLN A 117 -7.440 0.370 10.461 1.00 0.00 C ATOM 1718 CG GLN A 117 -8.350 1.537 10.808 1.00 0.00 C ATOM 1719 CD GLN A 117 -9.611 1.565 9.966 1.00 0.00 C ATOM 1720 OE1 GLN A 117 -10.481 0.704 10.101 1.00 0.00 O ATOM 1721 NE2 GLN A 117 -9.715 2.557 9.089 1.00 0.00 N ATOM 0 H GLN A 117 -5.935 -1.362 9.561 1.00 0.00 H new ATOM 0 HA GLN A 117 -8.007 0.159 8.399 1.00 0.00 H new ATOM 0 HB2 GLN A 117 -7.923 -0.559 10.765 1.00 0.00 H new ATOM 0 HB3 GLN A 117 -6.519 0.454 11.038 1.00 0.00 H new ATOM 0 HG2 GLN A 117 -8.623 1.479 11.862 1.00 0.00 H new ATOM 0 HG3 GLN A 117 -7.805 2.471 10.670 1.00 0.00 H new ATOM 0 HE21 GLN A 117 -8.970 3.249 9.011 1.00 0.00 H new ATOM 0 HE22 GLN A 117 -10.540 2.627 8.494 1.00 0.00 H new ATOM 1730 N CYS A 118 -7.076 2.311 7.637 1.00 0.00 N ATOM 1731 CA CYS A 118 -6.537 3.566 7.128 1.00 0.00 C ATOM 1732 C CYS A 118 -7.660 4.502 6.693 1.00 0.00 C ATOM 1733 O CYS A 118 -8.838 4.160 6.789 1.00 0.00 O ATOM 1734 CB CYS A 118 -5.593 3.302 5.954 1.00 0.00 C ATOM 1735 SG CYS A 118 -6.378 2.485 4.545 1.00 0.00 S ATOM 0 H CYS A 118 -7.988 2.058 7.256 1.00 0.00 H new ATOM 0 HA CYS A 118 -5.979 4.046 7.932 1.00 0.00 H new ATOM 0 HB2 CYS A 118 -5.170 4.250 5.621 1.00 0.00 H new ATOM 0 HB3 CYS A 118 -4.763 2.687 6.301 1.00 0.00 H new ATOM 0 HG CYS A 118 -5.569 1.593 4.055 1.00 0.00 H new ATOM 1741 N GLU A 119 -7.286 5.684 6.214 1.00 0.00 N ATOM 1742 CA GLU A 119 -8.263 6.668 5.764 1.00 0.00 C ATOM 1743 C GLU A 119 -8.683 6.399 4.321 1.00 0.00 C ATOM 1744 O GLU A 119 -7.916 5.842 3.536 1.00 0.00 O ATOM 1745 CB GLU A 119 -7.687 8.081 5.886 1.00 0.00 C ATOM 1746 CG GLU A 119 -8.159 8.824 7.126 1.00 0.00 C ATOM 1747 CD GLU A 119 -9.446 9.589 6.892 1.00 0.00 C ATOM 1748 OE1 GLU A 119 -9.414 10.591 6.145 1.00 0.00 O ATOM 1749 OE2 GLU A 119 -10.486 9.188 7.454 1.00 0.00 O ATOM 0 H GLU A 119 -6.315 5.983 6.128 1.00 0.00 H new ATOM 0 HA GLU A 119 -9.144 6.586 6.400 1.00 0.00 H new ATOM 0 HB2 GLU A 119 -6.599 8.021 5.900 1.00 0.00 H new ATOM 0 HB3 GLU A 119 -7.963 8.655 5.001 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -8.306 8.112 7.938 1.00 0.00 H new ATOM 0 HG3 GLU A 119 -7.382 9.517 7.448 1.00 0.00 H new ATOM 1756 N PRO A 120 -9.916 6.787 3.951 1.00 0.00 N ATOM 1757 CA PRO A 120 -10.436 6.581 2.594 1.00 0.00 C ATOM 1758 C PRO A 120 -9.606 7.302 1.537 1.00 0.00 C ATOM 1759 O PRO A 120 -9.061 8.378 1.786 1.00 0.00 O ATOM 1760 CB PRO A 120 -11.849 7.176 2.649 1.00 0.00 C ATOM 1761 CG PRO A 120 -12.196 7.223 4.097 1.00 0.00 C ATOM 1762 CD PRO A 120 -10.902 7.449 4.822 1.00 0.00 C ATOM 0 HA PRO A 120 -10.412 5.528 2.313 1.00 0.00 H new ATOM 0 HB2 PRO A 120 -11.875 8.171 2.205 1.00 0.00 H new ATOM 0 HB3 PRO A 120 -12.557 6.561 2.094 1.00 0.00 H new ATOM 0 HG2 PRO A 120 -12.905 8.025 4.303 1.00 0.00 H new ATOM 0 HG3 PRO A 120 -12.666 6.293 4.417 1.00 0.00 H new ATOM 0 HD2 PRO A 120 -10.686 8.511 4.942 1.00 0.00 H new ATOM 0 HD3 PRO A 120 -10.917 7.012 5.820 1.00 0.00 H new ATOM 1770 N LEU A 121 -9.520 6.703 0.353 1.00 0.00 N ATOM 1771 CA LEU A 121 -8.765 7.288 -0.750 1.00 0.00 C ATOM 1772 C LEU A 121 -7.308 7.526 -0.364 1.00 0.00 C ATOM 1773 O LEU A 121 -6.676 8.467 -0.842 1.00 0.00 O ATOM 1774 CB LEU A 121 -9.409 8.606 -1.187 1.00 0.00 C ATOM 1775 CG LEU A 121 -10.926 8.554 -1.375 1.00 0.00 C ATOM 1776 CD1 LEU A 121 -11.448 9.897 -1.860 1.00 0.00 C ATOM 1777 CD2 LEU A 121 -11.303 7.449 -2.349 1.00 0.00 C ATOM 0 H LEU A 121 -9.964 5.812 0.133 1.00 0.00 H new ATOM 0 HA LEU A 121 -8.784 6.581 -1.580 1.00 0.00 H new ATOM 0 HB2 LEU A 121 -9.176 9.370 -0.445 1.00 0.00 H new ATOM 0 HB3 LEU A 121 -8.953 8.922 -2.125 1.00 0.00 H new ATOM 0 HG LEU A 121 -11.387 8.335 -0.412 1.00 0.00 H new ATOM 0 HD11 LEU A 121 -12.529 9.842 -1.989 1.00 0.00 H new ATOM 0 HD12 LEU A 121 -11.208 10.667 -1.127 1.00 0.00 H new ATOM 0 HD13 LEU A 121 -10.981 10.146 -2.813 1.00 0.00 H new ATOM 0 HD21 LEU A 121 -12.386 7.426 -2.471 1.00 0.00 H new ATOM 0 HD22 LEU A 121 -10.833 7.638 -3.314 1.00 0.00 H new ATOM 0 HD23 LEU A 121 -10.961 6.490 -1.961 1.00 0.00 H new ATOM 1789 N LYS A 122 -6.778 6.665 0.499 1.00 0.00 N ATOM 1790 CA LYS A 122 -5.393 6.785 0.941 1.00 0.00 C ATOM 1791 C LYS A 122 -4.686 5.434 0.885 1.00 0.00 C ATOM 1792 O LYS A 122 -3.580 5.323 0.359 1.00 0.00 O ATOM 1793 CB LYS A 122 -5.333 7.350 2.361 1.00 0.00 C ATOM 1794 CG LYS A 122 -5.159 8.859 2.408 1.00 0.00 C ATOM 1795 CD LYS A 122 -6.001 9.484 3.508 1.00 0.00 C ATOM 1796 CE LYS A 122 -5.789 10.987 3.587 1.00 0.00 C ATOM 1797 NZ LYS A 122 -4.812 11.356 4.648 1.00 0.00 N ATOM 0 H LYS A 122 -7.285 5.879 0.905 1.00 0.00 H new ATOM 0 HA LYS A 122 -4.881 7.471 0.266 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -6.248 7.081 2.889 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -4.507 6.880 2.895 1.00 0.00 H new ATOM 0 HG2 LYS A 122 -4.109 9.100 2.571 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -5.439 9.288 1.446 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -7.055 9.273 3.325 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -5.747 9.029 4.465 1.00 0.00 H new ATOM 0 HE2 LYS A 122 -5.435 11.355 2.624 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -6.742 11.478 3.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -4.352 12.255 4.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -5.309 11.461 5.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -4.092 10.610 4.732 1.00 0.00 H new ATOM 1811 N GLY A 123 -5.335 4.409 1.429 1.00 0.00 N ATOM 1812 CA GLY A 123 -4.751 3.081 1.427 1.00 0.00 C ATOM 1813 C GLY A 123 -4.704 2.472 0.039 1.00 0.00 C ATOM 1814 O GLY A 123 -5.714 1.987 -0.469 1.00 0.00 O ATOM 0 H GLY A 123 -6.252 4.474 1.870 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -3.741 3.131 1.833 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -5.328 2.432 2.086 1.00 0.00 H new ATOM 1818 N ILE A 124 -3.526 2.499 -0.574 1.00 0.00 N ATOM 1819 CA ILE A 124 -3.347 1.948 -1.912 1.00 0.00 C ATOM 1820 C ILE A 124 -2.530 0.660 -1.872 1.00 0.00 C ATOM 1821 O ILE A 124 -1.498 0.588 -1.202 1.00 0.00 O ATOM 1822 CB ILE A 124 -2.654 2.961 -2.847 1.00 0.00 C ATOM 1823 CG1 ILE A 124 -2.572 2.406 -4.270 1.00 0.00 C ATOM 1824 CG2 ILE A 124 -1.266 3.305 -2.325 1.00 0.00 C ATOM 1825 CD1 ILE A 124 -2.241 3.456 -5.309 1.00 0.00 C ATOM 0 H ILE A 124 -2.680 2.897 -0.165 1.00 0.00 H new ATOM 0 HA ILE A 124 -4.341 1.729 -2.302 1.00 0.00 H new ATOM 0 HB ILE A 124 -3.248 3.874 -2.868 1.00 0.00 H new ATOM 0 HG12 ILE A 124 -1.815 1.622 -4.303 1.00 0.00 H new ATOM 0 HG13 ILE A 124 -3.524 1.941 -4.526 1.00 0.00 H new ATOM 0 HG21 ILE A 124 -0.792 4.021 -2.997 1.00 0.00 H new ATOM 0 HG22 ILE A 124 -1.349 3.742 -1.330 1.00 0.00 H new ATOM 0 HG23 ILE A 124 -0.662 2.399 -2.274 1.00 0.00 H new ATOM 0 HD11 ILE A 124 -2.199 2.992 -6.294 1.00 0.00 H new ATOM 0 HD12 ILE A 124 -3.010 4.228 -5.304 1.00 0.00 H new ATOM 0 HD13 ILE A 124 -1.275 3.905 -5.078 1.00 0.00 H new ATOM 1837 N PHE A 125 -2.997 -0.355 -2.591 1.00 0.00 N ATOM 1838 CA PHE A 125 -2.310 -1.640 -2.637 1.00 0.00 C ATOM 1839 C PHE A 125 -1.371 -1.711 -3.838 1.00 0.00 C ATOM 1840 O PHE A 125 -1.786 -1.496 -4.977 1.00 0.00 O ATOM 1841 CB PHE A 125 -3.324 -2.783 -2.696 1.00 0.00 C ATOM 1842 CG PHE A 125 -3.523 -3.479 -1.380 1.00 0.00 C ATOM 1843 CD1 PHE A 125 -2.460 -4.099 -0.742 1.00 0.00 C ATOM 1844 CD2 PHE A 125 -4.771 -3.514 -0.781 1.00 0.00 C ATOM 1845 CE1 PHE A 125 -2.638 -4.740 0.469 1.00 0.00 C ATOM 1846 CE2 PHE A 125 -4.957 -4.153 0.431 1.00 0.00 C ATOM 1847 CZ PHE A 125 -3.889 -4.767 1.056 1.00 0.00 C ATOM 0 H PHE A 125 -3.849 -0.312 -3.150 1.00 0.00 H new ATOM 0 HA PHE A 125 -1.716 -1.740 -1.729 1.00 0.00 H new ATOM 0 HB2 PHE A 125 -4.282 -2.391 -3.038 1.00 0.00 H new ATOM 0 HB3 PHE A 125 -2.995 -3.512 -3.437 1.00 0.00 H new ATOM 0 HD1 PHE A 125 -1.481 -4.081 -1.197 1.00 0.00 H new ATOM 0 HD2 PHE A 125 -5.609 -3.036 -1.266 1.00 0.00 H new ATOM 0 HE1 PHE A 125 -1.801 -5.219 0.956 1.00 0.00 H new ATOM 0 HE2 PHE A 125 -5.935 -4.172 0.888 1.00 0.00 H new ATOM 0 HZ PHE A 125 -4.031 -5.268 2.002 1.00 0.00 H new ATOM 1857 N THR A 126 -0.104 -2.018 -3.575 1.00 0.00 N ATOM 1858 CA THR A 126 0.894 -2.119 -4.633 1.00 0.00 C ATOM 1859 C THR A 126 1.989 -3.110 -4.254 1.00 0.00 C ATOM 1860 O THR A 126 2.114 -3.497 -3.092 1.00 0.00 O ATOM 1861 CB THR A 126 1.507 -0.747 -4.918 1.00 0.00 C ATOM 1862 OG1 THR A 126 2.575 -0.858 -5.842 1.00 0.00 O ATOM 1863 CG2 THR A 126 2.041 -0.061 -3.679 1.00 0.00 C ATOM 0 H THR A 126 0.255 -2.201 -2.638 1.00 0.00 H new ATOM 0 HA THR A 126 0.398 -2.481 -5.533 1.00 0.00 H new ATOM 0 HB THR A 126 0.694 -0.146 -5.324 1.00 0.00 H new ATOM 0 HG1 THR A 126 2.953 0.030 -6.013 1.00 0.00 H new ATOM 0 HG21 THR A 126 2.462 0.907 -3.952 1.00 0.00 H new ATOM 0 HG22 THR A 126 1.230 0.084 -2.965 1.00 0.00 H new ATOM 0 HG23 THR A 126 2.816 -0.679 -3.227 1.00 0.00 H new ATOM 1871 N ARG A 127 2.779 -3.519 -5.241 1.00 0.00 N ATOM 1872 CA ARG A 127 3.864 -4.466 -5.009 1.00 0.00 C ATOM 1873 C ARG A 127 5.036 -3.788 -4.301 1.00 0.00 C ATOM 1874 O ARG A 127 5.359 -2.635 -4.585 1.00 0.00 O ATOM 1875 CB ARG A 127 4.331 -5.071 -6.336 1.00 0.00 C ATOM 1876 CG ARG A 127 4.317 -6.592 -6.348 1.00 0.00 C ATOM 1877 CD ARG A 127 5.705 -7.165 -6.120 1.00 0.00 C ATOM 1878 NE ARG A 127 6.361 -7.527 -7.375 1.00 0.00 N ATOM 1879 CZ ARG A 127 7.503 -8.207 -7.444 1.00 0.00 C ATOM 1880 NH1 ARG A 127 8.119 -8.601 -6.336 1.00 0.00 N ATOM 1881 NH2 ARG A 127 8.031 -8.495 -8.626 1.00 0.00 N ATOM 0 H ARG A 127 2.689 -3.210 -6.209 1.00 0.00 H new ATOM 0 HA ARG A 127 3.489 -5.263 -4.367 1.00 0.00 H new ATOM 0 HB2 ARG A 127 3.692 -4.703 -7.139 1.00 0.00 H new ATOM 0 HB3 ARG A 127 5.342 -4.723 -6.549 1.00 0.00 H new ATOM 0 HG2 ARG A 127 3.641 -6.956 -5.575 1.00 0.00 H new ATOM 0 HG3 ARG A 127 3.929 -6.945 -7.303 1.00 0.00 H new ATOM 0 HD2 ARG A 127 6.316 -6.435 -5.589 1.00 0.00 H new ATOM 0 HD3 ARG A 127 5.633 -8.045 -5.481 1.00 0.00 H new ATOM 0 HE ARG A 127 5.918 -7.242 -8.248 1.00 0.00 H new ATOM 0 HH11 ARG A 127 7.717 -8.383 -5.424 1.00 0.00 H new ATOM 0 HH12 ARG A 127 8.994 -9.122 -6.397 1.00 0.00 H new ATOM 0 HH21 ARG A 127 7.562 -8.195 -9.481 1.00 0.00 H new ATOM 0 HH22 ARG A 127 8.906 -9.016 -8.680 1.00 0.00 H new ATOM 1895 N PRO A 128 5.693 -4.496 -3.364 1.00 0.00 N ATOM 1896 CA PRO A 128 6.834 -3.949 -2.620 1.00 0.00 C ATOM 1897 C PRO A 128 7.952 -3.478 -3.544 1.00 0.00 C ATOM 1898 O PRO A 128 8.585 -2.452 -3.294 1.00 0.00 O ATOM 1899 CB PRO A 128 7.313 -5.130 -1.768 1.00 0.00 C ATOM 1900 CG PRO A 128 6.137 -6.039 -1.669 1.00 0.00 C ATOM 1901 CD PRO A 128 5.381 -5.879 -2.958 1.00 0.00 C ATOM 0 HA PRO A 128 6.552 -3.073 -2.035 1.00 0.00 H new ATOM 0 HB2 PRO A 128 8.162 -5.632 -2.232 1.00 0.00 H new ATOM 0 HB3 PRO A 128 7.639 -4.798 -0.782 1.00 0.00 H new ATOM 0 HG2 PRO A 128 6.453 -7.072 -1.528 1.00 0.00 H new ATOM 0 HG3 PRO A 128 5.512 -5.777 -0.815 1.00 0.00 H new ATOM 0 HD2 PRO A 128 5.706 -6.601 -3.707 1.00 0.00 H new ATOM 0 HD3 PRO A 128 4.310 -6.025 -2.817 1.00 0.00 H new ATOM 1909 N SER A 129 8.189 -4.235 -4.610 1.00 0.00 N ATOM 1910 CA SER A 129 9.231 -3.897 -5.571 1.00 0.00 C ATOM 1911 C SER A 129 8.973 -2.535 -6.208 1.00 0.00 C ATOM 1912 O SER A 129 9.905 -1.848 -6.625 1.00 0.00 O ATOM 1913 CB SER A 129 9.317 -4.971 -6.658 1.00 0.00 C ATOM 1914 OG SER A 129 10.661 -5.202 -7.043 1.00 0.00 O ATOM 0 H SER A 129 7.673 -5.087 -4.830 1.00 0.00 H new ATOM 0 HA SER A 129 10.179 -3.850 -5.035 1.00 0.00 H new ATOM 0 HB2 SER A 129 8.876 -5.898 -6.293 1.00 0.00 H new ATOM 0 HB3 SER A 129 8.735 -4.661 -7.526 1.00 0.00 H new ATOM 0 HG SER A 129 10.688 -5.893 -7.737 1.00 0.00 H new ATOM 1920 N LYS A 130 7.702 -2.148 -6.280 1.00 0.00 N ATOM 1921 CA LYS A 130 7.327 -0.867 -6.865 1.00 0.00 C ATOM 1922 C LYS A 130 7.665 0.284 -5.923 1.00 0.00 C ATOM 1923 O LYS A 130 7.938 1.400 -6.362 1.00 0.00 O ATOM 1924 CB LYS A 130 5.832 -0.850 -7.196 1.00 0.00 C ATOM 1925 CG LYS A 130 5.518 -1.301 -8.613 1.00 0.00 C ATOM 1926 CD LYS A 130 5.307 -0.115 -9.541 1.00 0.00 C ATOM 1927 CE LYS A 130 6.602 0.299 -10.223 1.00 0.00 C ATOM 1928 NZ LYS A 130 7.012 1.679 -9.845 1.00 0.00 N ATOM 0 H LYS A 130 6.917 -2.703 -5.941 1.00 0.00 H new ATOM 0 HA LYS A 130 7.897 -0.737 -7.785 1.00 0.00 H new ATOM 0 HB2 LYS A 130 5.305 -1.495 -6.493 1.00 0.00 H new ATOM 0 HB3 LYS A 130 5.448 0.160 -7.051 1.00 0.00 H new ATOM 0 HG2 LYS A 130 6.334 -1.918 -8.989 1.00 0.00 H new ATOM 0 HG3 LYS A 130 4.624 -1.924 -8.608 1.00 0.00 H new ATOM 0 HD2 LYS A 130 4.563 -0.370 -10.296 1.00 0.00 H new ATOM 0 HD3 LYS A 130 4.909 0.726 -8.973 1.00 0.00 H new ATOM 0 HE2 LYS A 130 7.393 -0.401 -9.955 1.00 0.00 H new ATOM 0 HE3 LYS A 130 6.478 0.241 -11.304 1.00 0.00 H new ATOM 0 HZ1 LYS A 130 7.899 1.923 -10.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 130 6.268 2.351 -10.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 130 7.156 1.729 -8.816 1.00 0.00 H new ATOM 1942 N LEU A 131 7.646 0.002 -4.624 1.00 0.00 N ATOM 1943 CA LEU A 131 7.951 1.012 -3.618 1.00 0.00 C ATOM 1944 C LEU A 131 9.390 1.500 -3.756 1.00 0.00 C ATOM 1945 O LEU A 131 10.293 0.720 -4.062 1.00 0.00 O ATOM 1946 CB LEU A 131 7.724 0.449 -2.214 1.00 0.00 C ATOM 1947 CG LEU A 131 6.409 -0.312 -2.026 1.00 0.00 C ATOM 1948 CD1 LEU A 131 6.242 -0.736 -0.575 1.00 0.00 C ATOM 1949 CD2 LEU A 131 5.231 0.542 -2.472 1.00 0.00 C ATOM 0 H LEU A 131 7.423 -0.918 -4.244 1.00 0.00 H new ATOM 0 HA LEU A 131 7.282 1.858 -3.775 1.00 0.00 H new ATOM 0 HB2 LEU A 131 8.550 -0.218 -1.969 1.00 0.00 H new ATOM 0 HB3 LEU A 131 7.755 1.272 -1.500 1.00 0.00 H new ATOM 0 HG LEU A 131 6.438 -1.209 -2.645 1.00 0.00 H new ATOM 0 HD11 LEU A 131 5.302 -1.276 -0.460 1.00 0.00 H new ATOM 0 HD12 LEU A 131 7.070 -1.384 -0.288 1.00 0.00 H new ATOM 0 HD13 LEU A 131 6.234 0.147 0.064 1.00 0.00 H new ATOM 0 HD21 LEU A 131 4.304 -0.014 -2.331 1.00 0.00 H new ATOM 0 HD22 LEU A 131 5.199 1.456 -1.879 1.00 0.00 H new ATOM 0 HD23 LEU A 131 5.345 0.797 -3.526 1.00 0.00 H new ATOM 1961 N THR A 132 9.597 2.793 -3.529 1.00 0.00 N ATOM 1962 CA THR A 132 10.927 3.384 -3.629 1.00 0.00 C ATOM 1963 C THR A 132 11.174 4.368 -2.490 1.00 0.00 C ATOM 1964 O THR A 132 10.262 5.072 -2.057 1.00 0.00 O ATOM 1965 CB THR A 132 11.094 4.091 -4.975 1.00 0.00 C ATOM 1966 OG1 THR A 132 10.385 5.316 -4.989 1.00 0.00 O ATOM 1967 CG2 THR A 132 10.610 3.266 -6.148 1.00 0.00 C ATOM 0 H THR A 132 8.861 3.452 -3.275 1.00 0.00 H new ATOM 0 HA THR A 132 11.660 2.581 -3.555 1.00 0.00 H new ATOM 0 HB THR A 132 12.166 4.255 -5.085 1.00 0.00 H new ATOM 0 HG1 THR A 132 10.754 5.900 -5.684 1.00 0.00 H new ATOM 0 HG21 THR A 132 10.757 3.826 -7.072 1.00 0.00 H new ATOM 0 HG22 THR A 132 11.174 2.334 -6.195 1.00 0.00 H new ATOM 0 HG23 THR A 132 9.550 3.043 -6.024 1.00 0.00 H new ATOM 1975 N ARG A 133 12.412 4.413 -2.011 1.00 0.00 N ATOM 1976 CA ARG A 133 12.781 5.312 -0.924 1.00 0.00 C ATOM 1977 C ARG A 133 13.103 6.706 -1.455 1.00 0.00 C ATOM 1978 O ARG A 133 13.971 6.868 -2.314 1.00 0.00 O ATOM 1979 CB ARG A 133 13.982 4.752 -0.157 1.00 0.00 C ATOM 1980 CG ARG A 133 13.603 4.040 1.132 1.00 0.00 C ATOM 1981 CD ARG A 133 14.736 3.162 1.640 1.00 0.00 C ATOM 1982 NE ARG A 133 15.141 3.521 2.998 1.00 0.00 N ATOM 1983 CZ ARG A 133 15.834 2.719 3.802 1.00 0.00 C ATOM 1984 NH1 ARG A 133 16.203 1.512 3.390 1.00 0.00 N ATOM 1985 NH2 ARG A 133 16.163 3.125 5.021 1.00 0.00 N ATOM 0 H ARG A 133 13.178 3.836 -2.359 1.00 0.00 H new ATOM 0 HA ARG A 133 11.931 5.391 -0.246 1.00 0.00 H new ATOM 0 HB2 ARG A 133 14.522 4.057 -0.801 1.00 0.00 H new ATOM 0 HB3 ARG A 133 14.666 5.568 0.076 1.00 0.00 H new ATOM 0 HG2 ARG A 133 13.344 4.776 1.892 1.00 0.00 H new ATOM 0 HG3 ARG A 133 12.716 3.429 0.964 1.00 0.00 H new ATOM 0 HD2 ARG A 133 14.423 2.118 1.619 1.00 0.00 H new ATOM 0 HD3 ARG A 133 15.592 3.251 0.971 1.00 0.00 H new ATOM 0 HE ARG A 133 14.877 4.441 3.350 1.00 0.00 H new ATOM 0 HH11 ARG A 133 15.955 1.195 2.453 1.00 0.00 H new ATOM 0 HH12 ARG A 133 16.734 0.901 4.011 1.00 0.00 H new ATOM 0 HH21 ARG A 133 15.885 4.052 5.342 1.00 0.00 H new ATOM 0 HH22 ARG A 133 16.694 2.510 5.637 1.00 0.00 H new ATOM 1999 N LYS A 134 12.402 7.708 -0.937 1.00 0.00 N ATOM 2000 CA LYS A 134 12.614 9.089 -1.360 1.00 0.00 C ATOM 2001 C LYS A 134 12.317 9.256 -2.846 1.00 0.00 C ATOM 2002 O LYS A 134 12.414 8.303 -3.619 1.00 0.00 O ATOM 2003 CB LYS A 134 14.052 9.520 -1.063 1.00 0.00 C ATOM 2004 CG LYS A 134 14.248 10.061 0.344 1.00 0.00 C ATOM 2005 CD LYS A 134 13.733 11.486 0.469 1.00 0.00 C ATOM 2006 CE LYS A 134 14.647 12.334 1.340 1.00 0.00 C ATOM 2007 NZ LYS A 134 14.221 13.761 1.367 1.00 0.00 N ATOM 0 H LYS A 134 11.682 7.591 -0.224 1.00 0.00 H new ATOM 0 HA LYS A 134 11.928 9.724 -0.799 1.00 0.00 H new ATOM 0 HB2 LYS A 134 14.716 8.668 -1.211 1.00 0.00 H new ATOM 0 HB3 LYS A 134 14.349 10.284 -1.781 1.00 0.00 H new ATOM 0 HG2 LYS A 134 13.728 9.421 1.057 1.00 0.00 H new ATOM 0 HG3 LYS A 134 15.307 10.031 0.602 1.00 0.00 H new ATOM 0 HD2 LYS A 134 13.654 11.934 -0.522 1.00 0.00 H new ATOM 0 HD3 LYS A 134 12.730 11.475 0.895 1.00 0.00 H new ATOM 0 HE2 LYS A 134 14.652 11.937 2.355 1.00 0.00 H new ATOM 0 HE3 LYS A 134 15.669 12.267 0.967 1.00 0.00 H new ATOM 0 HZ1 LYS A 134 14.869 14.305 1.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 134 14.241 14.147 0.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 134 13.255 13.828 1.747 1.00 0.00 H new