USER MOD reduce.3.24.130724 H: found=0, std=0, add=552, rem=0, adj=11 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 Set 1.1: A 74 ASN :FLIP amide:sc= -0.0891 X(o=-0.62,f=-0.28) USER MOD Set 1.2: A 76 ASN :FLIP amide:sc= -0.186 F(o=-2.1,f=-0.28) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 87 THR OG1 : rot -109:sc= 0.44 USER MOD Single : A 88 GLN : amide:sc= 0 X(o=0,f=-0.018) USER MOD Single : A 93 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 ASN : amide:sc= -0.0216 K(o=-0.022,f=-1.8) USER MOD Single : A 109 SER OG : rot -160:sc= -0.75 USER MOD Single : A 115 TYR OH : rot 180:sc=-0.00949 USER MOD Single : A 117 GLN :FLIP amide:sc=-0.00536 F(o=-0.61,f=-0.0054) USER MOD Single : A 118 CYS SG : rot -141:sc= 0.441 USER MOD Single : A 122 LYS NZ :NH3+ -110:sc= 0.142 (180deg=-0.00462) USER MOD Single : A 126 THR OG1 : rot 180:sc= -0.388 USER MOD Single : A 129 SER OG : rot 180:sc= 0 USER MOD Single : A 130 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 132 THR OG1 : rot -150:sc= -0.476 USER MOD Single : A 134 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 915 N PHE A 65 10.316 -5.509 3.041 1.00 0.00 N ATOM 916 CA PHE A 65 9.918 -4.284 3.725 1.00 0.00 C ATOM 917 C PHE A 65 9.452 -4.582 5.147 1.00 0.00 C ATOM 918 O PHE A 65 9.430 -5.735 5.575 1.00 0.00 O ATOM 919 CB PHE A 65 8.803 -3.581 2.948 1.00 0.00 C ATOM 920 CG PHE A 65 9.289 -2.866 1.719 1.00 0.00 C ATOM 921 CD1 PHE A 65 9.468 -3.552 0.528 1.00 0.00 C ATOM 922 CD2 PHE A 65 9.564 -1.510 1.754 1.00 0.00 C ATOM 923 CE1 PHE A 65 9.915 -2.897 -0.604 1.00 0.00 C ATOM 924 CE2 PHE A 65 10.010 -0.849 0.625 1.00 0.00 C ATOM 925 CZ PHE A 65 10.185 -1.544 -0.555 1.00 0.00 C ATOM 0 HA PHE A 65 10.786 -3.627 3.776 1.00 0.00 H new ATOM 0 HB2 PHE A 65 8.053 -4.317 2.658 1.00 0.00 H new ATOM 0 HB3 PHE A 65 8.309 -2.864 3.604 1.00 0.00 H new ATOM 0 HD1 PHE A 65 9.256 -4.610 0.484 1.00 0.00 H new ATOM 0 HD2 PHE A 65 9.428 -0.962 2.675 1.00 0.00 H new ATOM 0 HE1 PHE A 65 10.053 -3.443 -1.526 1.00 0.00 H new ATOM 0 HE2 PHE A 65 10.221 0.209 0.666 1.00 0.00 H new ATOM 0 HZ PHE A 65 10.533 -1.030 -1.439 1.00 0.00 H new ATOM 935 N ARG A 66 9.081 -3.533 5.873 1.00 0.00 N ATOM 936 CA ARG A 66 8.615 -3.682 7.248 1.00 0.00 C ATOM 937 C ARG A 66 7.416 -2.778 7.516 1.00 0.00 C ATOM 938 O ARG A 66 7.226 -1.765 6.842 1.00 0.00 O ATOM 939 CB ARG A 66 9.744 -3.359 8.228 1.00 0.00 C ATOM 940 CG ARG A 66 9.747 -4.242 9.465 1.00 0.00 C ATOM 941 CD ARG A 66 11.126 -4.303 10.102 1.00 0.00 C ATOM 942 NE ARG A 66 12.027 -5.193 9.372 1.00 0.00 N ATOM 943 CZ ARG A 66 13.149 -5.693 9.883 1.00 0.00 C ATOM 944 NH1 ARG A 66 13.512 -5.395 11.124 1.00 0.00 N ATOM 945 NH2 ARG A 66 13.910 -6.494 9.151 1.00 0.00 N ATOM 0 H ARG A 66 9.094 -2.571 5.533 1.00 0.00 H new ATOM 0 HA ARG A 66 8.305 -4.717 7.392 1.00 0.00 H new ATOM 0 HB2 ARG A 66 10.700 -3.463 7.715 1.00 0.00 H new ATOM 0 HB3 ARG A 66 9.660 -2.317 8.536 1.00 0.00 H new ATOM 0 HG2 ARG A 66 9.027 -3.859 10.189 1.00 0.00 H new ATOM 0 HG3 ARG A 66 9.424 -5.248 9.196 1.00 0.00 H new ATOM 0 HD2 ARG A 66 11.554 -3.301 10.136 1.00 0.00 H new ATOM 0 HD3 ARG A 66 11.035 -4.645 11.133 1.00 0.00 H new ATOM 0 HE ARG A 66 11.781 -5.445 8.415 1.00 0.00 H new ATOM 0 HH11 ARG A 66 12.930 -4.779 11.692 1.00 0.00 H new ATOM 0 HH12 ARG A 66 14.373 -5.781 11.510 1.00 0.00 H new ATOM 0 HH21 ARG A 66 13.635 -6.727 8.197 1.00 0.00 H new ATOM 0 HH22 ARG A 66 14.770 -6.878 9.542 1.00 0.00 H new ATOM 959 N VAL A 67 6.611 -3.150 8.507 1.00 0.00 N ATOM 960 CA VAL A 67 5.431 -2.372 8.865 1.00 0.00 C ATOM 961 C VAL A 67 5.806 -1.175 9.732 1.00 0.00 C ATOM 962 O VAL A 67 6.324 -1.333 10.837 1.00 0.00 O ATOM 963 CB VAL A 67 4.396 -3.232 9.615 1.00 0.00 C ATOM 964 CG1 VAL A 67 3.112 -2.449 9.842 1.00 0.00 C ATOM 965 CG2 VAL A 67 4.117 -4.519 8.854 1.00 0.00 C ATOM 0 H VAL A 67 6.755 -3.985 9.075 1.00 0.00 H new ATOM 0 HA VAL A 67 4.990 -2.019 7.933 1.00 0.00 H new ATOM 0 HB VAL A 67 4.809 -3.496 10.589 1.00 0.00 H new ATOM 0 HG11 VAL A 67 2.394 -3.074 10.373 1.00 0.00 H new ATOM 0 HG12 VAL A 67 3.328 -1.560 10.435 1.00 0.00 H new ATOM 0 HG13 VAL A 67 2.693 -2.151 8.881 1.00 0.00 H new ATOM 0 HG21 VAL A 67 3.384 -5.113 9.400 1.00 0.00 H new ATOM 0 HG22 VAL A 67 3.726 -4.280 7.865 1.00 0.00 H new ATOM 0 HG23 VAL A 67 5.041 -5.088 8.751 1.00 0.00 H new ATOM 975 N GLY A 68 5.541 0.024 9.223 1.00 0.00 N ATOM 976 CA GLY A 68 5.857 1.231 9.964 1.00 0.00 C ATOM 977 C GLY A 68 7.029 1.988 9.369 1.00 0.00 C ATOM 978 O GLY A 68 7.873 2.511 10.097 1.00 0.00 O ATOM 0 H GLY A 68 5.113 0.181 8.311 1.00 0.00 H new ATOM 0 HA2 GLY A 68 4.982 1.880 9.984 1.00 0.00 H new ATOM 0 HA3 GLY A 68 6.084 0.970 10.998 1.00 0.00 H new ATOM 982 N GLU A 69 7.081 2.044 8.043 1.00 0.00 N ATOM 983 CA GLU A 69 8.157 2.741 7.348 1.00 0.00 C ATOM 984 C GLU A 69 7.597 3.754 6.356 1.00 0.00 C ATOM 985 O GLU A 69 6.388 3.815 6.132 1.00 0.00 O ATOM 986 CB GLU A 69 9.055 1.740 6.620 1.00 0.00 C ATOM 987 CG GLU A 69 9.476 0.560 7.482 1.00 0.00 C ATOM 988 CD GLU A 69 10.760 -0.086 7.001 1.00 0.00 C ATOM 989 OE1 GLU A 69 10.685 -0.986 6.139 1.00 0.00 O ATOM 990 OE2 GLU A 69 11.841 0.308 7.487 1.00 0.00 O ATOM 0 H GLU A 69 6.390 1.615 7.427 1.00 0.00 H new ATOM 0 HA GLU A 69 8.749 3.276 8.091 1.00 0.00 H new ATOM 0 HB2 GLU A 69 8.531 1.367 5.740 1.00 0.00 H new ATOM 0 HB3 GLU A 69 9.947 2.256 6.265 1.00 0.00 H new ATOM 0 HG2 GLU A 69 9.606 0.895 8.511 1.00 0.00 H new ATOM 0 HG3 GLU A 69 8.679 -0.184 7.487 1.00 0.00 H new ATOM 997 N ARG A 70 8.483 4.549 5.764 1.00 0.00 N ATOM 998 CA ARG A 70 8.078 5.560 4.795 1.00 0.00 C ATOM 999 C ARG A 70 8.551 5.191 3.393 1.00 0.00 C ATOM 1000 O ARG A 70 9.750 5.067 3.145 1.00 0.00 O ATOM 1001 CB ARG A 70 8.635 6.928 5.192 1.00 0.00 C ATOM 1002 CG ARG A 70 7.994 8.087 4.443 1.00 0.00 C ATOM 1003 CD ARG A 70 7.521 9.180 5.392 1.00 0.00 C ATOM 1004 NE ARG A 70 8.352 10.379 5.304 1.00 0.00 N ATOM 1005 CZ ARG A 70 9.518 10.524 5.930 1.00 0.00 C ATOM 1006 NH1 ARG A 70 9.999 9.545 6.688 1.00 0.00 N ATOM 1007 NH2 ARG A 70 10.206 11.649 5.797 1.00 0.00 N ATOM 0 H ARG A 70 9.487 4.512 5.939 1.00 0.00 H new ATOM 0 HA ARG A 70 6.989 5.607 4.789 1.00 0.00 H new ATOM 0 HB2 ARG A 70 8.490 7.073 6.262 1.00 0.00 H new ATOM 0 HB3 ARG A 70 9.710 6.940 5.012 1.00 0.00 H new ATOM 0 HG2 ARG A 70 8.711 8.504 3.736 1.00 0.00 H new ATOM 0 HG3 ARG A 70 7.149 7.720 3.860 1.00 0.00 H new ATOM 0 HD2 ARG A 70 6.487 9.438 5.162 1.00 0.00 H new ATOM 0 HD3 ARG A 70 7.535 8.803 6.415 1.00 0.00 H new ATOM 0 HE ARG A 70 8.018 11.152 4.728 1.00 0.00 H new ATOM 0 HH11 ARG A 70 9.474 8.676 6.793 1.00 0.00 H new ATOM 0 HH12 ARG A 70 10.893 9.662 7.165 1.00 0.00 H new ATOM 0 HH21 ARG A 70 9.842 12.404 5.215 1.00 0.00 H new ATOM 0 HH22 ARG A 70 11.099 11.760 6.277 1.00 0.00 H new ATOM 1021 N VAL A 71 7.602 5.014 2.479 1.00 0.00 N ATOM 1022 CA VAL A 71 7.923 4.656 1.103 1.00 0.00 C ATOM 1023 C VAL A 71 7.215 5.578 0.114 1.00 0.00 C ATOM 1024 O VAL A 71 6.328 6.345 0.490 1.00 0.00 O ATOM 1025 CB VAL A 71 7.533 3.199 0.797 1.00 0.00 C ATOM 1026 CG1 VAL A 71 8.461 2.235 1.520 1.00 0.00 C ATOM 1027 CG2 VAL A 71 6.083 2.941 1.178 1.00 0.00 C ATOM 0 H VAL A 71 6.604 5.113 2.667 1.00 0.00 H new ATOM 0 HA VAL A 71 9.001 4.768 0.991 1.00 0.00 H new ATOM 0 HB VAL A 71 7.637 3.033 -0.275 1.00 0.00 H new ATOM 0 HG11 VAL A 71 8.170 1.210 1.292 1.00 0.00 H new ATOM 0 HG12 VAL A 71 9.487 2.403 1.192 1.00 0.00 H new ATOM 0 HG13 VAL A 71 8.392 2.401 2.595 1.00 0.00 H new ATOM 0 HG21 VAL A 71 5.827 1.906 0.954 1.00 0.00 H new ATOM 0 HG22 VAL A 71 5.948 3.126 2.244 1.00 0.00 H new ATOM 0 HG23 VAL A 71 5.433 3.607 0.610 1.00 0.00 H new ATOM 1037 N TRP A 72 7.613 5.496 -1.151 1.00 0.00 N ATOM 1038 CA TRP A 72 7.018 6.321 -2.197 1.00 0.00 C ATOM 1039 C TRP A 72 6.449 5.454 -3.316 1.00 0.00 C ATOM 1040 O TRP A 72 7.196 4.891 -4.116 1.00 0.00 O ATOM 1041 CB TRP A 72 8.060 7.285 -2.769 1.00 0.00 C ATOM 1042 CG TRP A 72 8.144 8.583 -2.026 1.00 0.00 C ATOM 1043 CD1 TRP A 72 7.738 9.809 -2.467 1.00 0.00 C ATOM 1044 CD2 TRP A 72 8.673 8.785 -0.710 1.00 0.00 C ATOM 1045 NE1 TRP A 72 7.982 10.761 -1.507 1.00 0.00 N ATOM 1046 CE2 TRP A 72 8.555 10.156 -0.420 1.00 0.00 C ATOM 1047 CE3 TRP A 72 9.234 7.938 0.249 1.00 0.00 C ATOM 1048 CZ2 TRP A 72 8.978 10.700 0.792 1.00 0.00 C ATOM 1049 CZ3 TRP A 72 9.654 8.478 1.450 1.00 0.00 C ATOM 1050 CH2 TRP A 72 9.523 9.848 1.713 1.00 0.00 C ATOM 0 H TRP A 72 8.346 4.866 -1.477 1.00 0.00 H new ATOM 0 HA TRP A 72 6.204 6.894 -1.753 1.00 0.00 H new ATOM 0 HB2 TRP A 72 9.037 6.802 -2.753 1.00 0.00 H new ATOM 0 HB3 TRP A 72 7.821 7.488 -3.813 1.00 0.00 H new ATOM 0 HD1 TRP A 72 7.290 10.003 -3.430 1.00 0.00 H new ATOM 0 HE1 TRP A 72 7.771 11.755 -1.590 1.00 0.00 H new ATOM 0 HE3 TRP A 72 9.338 6.881 0.055 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 8.879 11.756 0.996 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 10.091 7.833 2.198 1.00 0.00 H new ATOM 0 HH2 TRP A 72 9.859 10.239 2.662 1.00 0.00 H new ATOM 1061 N VAL A 73 5.125 5.352 -3.367 1.00 0.00 N ATOM 1062 CA VAL A 73 4.464 4.555 -4.393 1.00 0.00 C ATOM 1063 C VAL A 73 4.775 5.091 -5.785 1.00 0.00 C ATOM 1064 O VAL A 73 4.492 6.248 -6.093 1.00 0.00 O ATOM 1065 CB VAL A 73 2.935 4.530 -4.193 1.00 0.00 C ATOM 1066 CG1 VAL A 73 2.297 3.480 -5.090 1.00 0.00 C ATOM 1067 CG2 VAL A 73 2.590 4.276 -2.733 1.00 0.00 C ATOM 0 H VAL A 73 4.491 5.810 -2.712 1.00 0.00 H new ATOM 0 HA VAL A 73 4.848 3.539 -4.301 1.00 0.00 H new ATOM 0 HB VAL A 73 2.535 5.505 -4.471 1.00 0.00 H new ATOM 0 HG11 VAL A 73 1.218 3.476 -4.935 1.00 0.00 H new ATOM 0 HG12 VAL A 73 2.514 3.712 -6.133 1.00 0.00 H new ATOM 0 HG13 VAL A 73 2.702 2.498 -4.845 1.00 0.00 H new ATOM 0 HG21 VAL A 73 1.507 4.262 -2.612 1.00 0.00 H new ATOM 0 HG22 VAL A 73 3.002 3.316 -2.424 1.00 0.00 H new ATOM 0 HG23 VAL A 73 3.014 5.068 -2.116 1.00 0.00 H new ATOM 1077 N ASN A 74 5.366 4.244 -6.622 1.00 0.00 N ATOM 1078 CA ASN A 74 5.723 4.634 -7.983 1.00 0.00 C ATOM 1079 C ASN A 74 6.811 5.707 -7.981 1.00 0.00 C ATOM 1080 O ASN A 74 7.015 6.396 -8.980 1.00 0.00 O ATOM 1081 CB ASN A 74 4.491 5.145 -8.733 1.00 0.00 C ATOM 1082 CG ASN A 74 4.475 4.707 -10.185 1.00 0.00 C ATOM 1083 OD1 ASN A 74 4.643 3.410 -10.414 1.00 0.00 O flip ATOM 1084 ND2 ASN A 74 4.314 5.526 -11.090 1.00 0.00 N flip ATOM 0 H ASN A 74 5.608 3.283 -6.382 1.00 0.00 H new ATOM 0 HA ASN A 74 6.111 3.751 -8.492 1.00 0.00 H new ATOM 0 HB2 ASN A 74 3.591 4.782 -8.237 1.00 0.00 H new ATOM 0 HB3 ASN A 74 4.465 6.234 -8.684 1.00 0.00 H new ATOM 0 HD21 ASN A 74 4.189 6.514 -10.868 1.00 0.00 H new ATOM 0 HD22 ASN A 74 4.306 5.217 -12.062 1.00 0.00 H new ATOM 1091 N GLY A 75 7.507 5.843 -6.855 1.00 0.00 N ATOM 1092 CA GLY A 75 8.564 6.830 -6.752 1.00 0.00 C ATOM 1093 C GLY A 75 8.041 8.253 -6.788 1.00 0.00 C ATOM 1094 O GLY A 75 8.681 9.142 -7.350 1.00 0.00 O ATOM 0 H GLY A 75 7.357 5.287 -6.013 1.00 0.00 H new ATOM 0 HA2 GLY A 75 9.113 6.673 -5.824 1.00 0.00 H new ATOM 0 HA3 GLY A 75 9.271 6.686 -7.569 1.00 0.00 H new ATOM 1098 N ASN A 76 6.876 8.472 -6.186 1.00 0.00 N ATOM 1099 CA ASN A 76 6.270 9.800 -6.152 1.00 0.00 C ATOM 1100 C ASN A 76 4.963 9.785 -5.366 1.00 0.00 C ATOM 1101 O ASN A 76 3.960 10.352 -5.799 1.00 0.00 O ATOM 1102 CB ASN A 76 6.018 10.305 -7.574 1.00 0.00 C ATOM 1103 CG ASN A 76 5.059 9.419 -8.343 1.00 0.00 C ATOM 1104 OD1 ASN A 76 5.601 8.557 -9.195 1.00 0.00 O flip ATOM 1105 ND2 ASN A 76 3.842 9.506 -8.172 1.00 0.00 N flip ATOM 0 H ASN A 76 6.333 7.748 -5.715 1.00 0.00 H new ATOM 0 HA ASN A 76 6.964 10.475 -5.651 1.00 0.00 H new ATOM 0 HB2 ASN A 76 5.617 11.318 -7.531 1.00 0.00 H new ATOM 0 HB3 ASN A 76 6.966 10.360 -8.110 1.00 0.00 H new ATOM 0 HD21 ASN A 76 3.468 10.183 -7.507 1.00 0.00 H new ATOM 0 HD22 ASN A 76 3.209 8.901 -8.695 1.00 0.00 H new ATOM 1112 N LYS A 77 4.980 9.134 -4.207 1.00 0.00 N ATOM 1113 CA LYS A 77 3.792 9.047 -3.364 1.00 0.00 C ATOM 1114 C LYS A 77 4.161 8.644 -1.937 1.00 0.00 C ATOM 1115 O LYS A 77 4.046 7.476 -1.566 1.00 0.00 O ATOM 1116 CB LYS A 77 2.799 8.042 -3.950 1.00 0.00 C ATOM 1117 CG LYS A 77 1.802 8.663 -4.913 1.00 0.00 C ATOM 1118 CD LYS A 77 0.626 7.736 -5.175 1.00 0.00 C ATOM 1119 CE LYS A 77 -0.300 8.295 -6.244 1.00 0.00 C ATOM 1120 NZ LYS A 77 -0.539 7.316 -7.340 1.00 0.00 N ATOM 0 H LYS A 77 5.801 8.660 -3.831 1.00 0.00 H new ATOM 0 HA LYS A 77 3.327 10.032 -3.333 1.00 0.00 H new ATOM 0 HB2 LYS A 77 3.351 7.258 -4.468 1.00 0.00 H new ATOM 0 HB3 LYS A 77 2.255 7.564 -3.135 1.00 0.00 H new ATOM 0 HG2 LYS A 77 1.439 9.606 -4.504 1.00 0.00 H new ATOM 0 HG3 LYS A 77 2.300 8.895 -5.854 1.00 0.00 H new ATOM 0 HD2 LYS A 77 0.995 6.759 -5.487 1.00 0.00 H new ATOM 0 HD3 LYS A 77 0.067 7.586 -4.251 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -1.252 8.572 -5.791 1.00 0.00 H new ATOM 0 HE3 LYS A 77 0.132 9.206 -6.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -1.175 7.736 -8.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 0.366 7.071 -7.790 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -0.975 6.457 -6.949 1.00 0.00 H new ATOM 1134 N PRO A 78 4.608 9.609 -1.115 1.00 0.00 N ATOM 1135 CA PRO A 78 4.990 9.347 0.277 1.00 0.00 C ATOM 1136 C PRO A 78 3.832 8.794 1.100 1.00 0.00 C ATOM 1137 O PRO A 78 2.704 9.280 1.007 1.00 0.00 O ATOM 1138 CB PRO A 78 5.413 10.724 0.807 1.00 0.00 C ATOM 1139 CG PRO A 78 4.810 11.708 -0.137 1.00 0.00 C ATOM 1140 CD PRO A 78 4.773 11.028 -1.473 1.00 0.00 C ATOM 0 HA PRO A 78 5.776 8.594 0.344 1.00 0.00 H new ATOM 0 HB2 PRO A 78 5.053 10.882 1.824 1.00 0.00 H new ATOM 0 HB3 PRO A 78 6.499 10.819 0.835 1.00 0.00 H new ATOM 0 HG2 PRO A 78 3.808 11.993 0.184 1.00 0.00 H new ATOM 0 HG3 PRO A 78 5.403 12.622 -0.180 1.00 0.00 H new ATOM 0 HD2 PRO A 78 3.948 11.388 -2.087 1.00 0.00 H new ATOM 0 HD3 PRO A 78 5.689 11.198 -2.039 1.00 0.00 H new ATOM 1148 N GLY A 79 4.117 7.776 1.905 1.00 0.00 N ATOM 1149 CA GLY A 79 3.089 7.174 2.733 1.00 0.00 C ATOM 1150 C GLY A 79 3.666 6.316 3.840 1.00 0.00 C ATOM 1151 O GLY A 79 4.822 6.485 4.228 1.00 0.00 O ATOM 0 H GLY A 79 5.042 7.357 1.999 1.00 0.00 H new ATOM 0 HA2 GLY A 79 2.473 7.960 3.170 1.00 0.00 H new ATOM 0 HA3 GLY A 79 2.435 6.565 2.109 1.00 0.00 H new ATOM 1155 N PHE A 80 2.860 5.391 4.352 1.00 0.00 N ATOM 1156 CA PHE A 80 3.298 4.503 5.421 1.00 0.00 C ATOM 1157 C PHE A 80 2.724 3.101 5.234 1.00 0.00 C ATOM 1158 O PHE A 80 1.507 2.919 5.189 1.00 0.00 O ATOM 1159 CB PHE A 80 2.875 5.061 6.782 1.00 0.00 C ATOM 1160 CG PHE A 80 3.674 6.257 7.213 1.00 0.00 C ATOM 1161 CD1 PHE A 80 4.946 6.104 7.740 1.00 0.00 C ATOM 1162 CD2 PHE A 80 3.153 7.535 7.092 1.00 0.00 C ATOM 1163 CE1 PHE A 80 5.684 7.203 8.139 1.00 0.00 C ATOM 1164 CE2 PHE A 80 3.886 8.638 7.488 1.00 0.00 C ATOM 1165 CZ PHE A 80 5.154 8.471 8.012 1.00 0.00 C ATOM 0 H PHE A 80 1.900 5.238 4.043 1.00 0.00 H new ATOM 0 HA PHE A 80 4.386 4.440 5.383 1.00 0.00 H new ATOM 0 HB2 PHE A 80 1.820 5.334 6.742 1.00 0.00 H new ATOM 0 HB3 PHE A 80 2.974 4.278 7.534 1.00 0.00 H new ATOM 0 HD1 PHE A 80 5.366 5.114 7.840 1.00 0.00 H new ATOM 0 HD2 PHE A 80 2.163 7.671 6.683 1.00 0.00 H new ATOM 0 HE1 PHE A 80 6.674 7.069 8.550 1.00 0.00 H new ATOM 0 HE2 PHE A 80 3.468 9.629 7.388 1.00 0.00 H new ATOM 0 HZ PHE A 80 5.729 9.331 8.322 1.00 0.00 H new ATOM 1175 N ILE A 81 3.608 2.115 5.126 1.00 0.00 N ATOM 1176 CA ILE A 81 3.189 0.731 4.944 1.00 0.00 C ATOM 1177 C ILE A 81 2.537 0.184 6.210 1.00 0.00 C ATOM 1178 O ILE A 81 3.089 0.300 7.305 1.00 0.00 O ATOM 1179 CB ILE A 81 4.378 -0.173 4.560 1.00 0.00 C ATOM 1180 CG1 ILE A 81 5.146 0.429 3.382 1.00 0.00 C ATOM 1181 CG2 ILE A 81 3.891 -1.574 4.220 1.00 0.00 C ATOM 1182 CD1 ILE A 81 6.618 0.076 3.378 1.00 0.00 C ATOM 0 H ILE A 81 4.619 2.249 5.161 1.00 0.00 H new ATOM 0 HA ILE A 81 2.462 0.725 4.131 1.00 0.00 H new ATOM 0 HB ILE A 81 5.053 -0.241 5.413 1.00 0.00 H new ATOM 0 HG12 ILE A 81 4.695 0.085 2.451 1.00 0.00 H new ATOM 0 HG13 ILE A 81 5.041 1.514 3.406 1.00 0.00 H new ATOM 0 HG21 ILE A 81 4.742 -2.200 3.951 1.00 0.00 H new ATOM 0 HG22 ILE A 81 3.384 -2.003 5.084 1.00 0.00 H new ATOM 0 HG23 ILE A 81 3.198 -1.524 3.381 1.00 0.00 H new ATOM 0 HD11 ILE A 81 7.100 0.536 2.515 1.00 0.00 H new ATOM 0 HD12 ILE A 81 7.083 0.444 4.293 1.00 0.00 H new ATOM 0 HD13 ILE A 81 6.732 -1.007 3.323 1.00 0.00 H new ATOM 1194 N GLN A 82 1.361 -0.413 6.053 1.00 0.00 N ATOM 1195 CA GLN A 82 0.632 -0.978 7.183 1.00 0.00 C ATOM 1196 C GLN A 82 0.527 -2.495 7.058 1.00 0.00 C ATOM 1197 O GLN A 82 0.727 -3.224 8.030 1.00 0.00 O ATOM 1198 CB GLN A 82 -0.765 -0.365 7.274 1.00 0.00 C ATOM 1199 CG GLN A 82 -0.760 1.152 7.367 1.00 0.00 C ATOM 1200 CD GLN A 82 -0.274 1.651 8.714 1.00 0.00 C ATOM 1201 OE1 GLN A 82 -1.018 1.652 9.694 1.00 0.00 O ATOM 1202 NE2 GLN A 82 0.982 2.081 8.766 1.00 0.00 N ATOM 0 H GLN A 82 0.892 -0.518 5.154 1.00 0.00 H new ATOM 0 HA GLN A 82 1.184 -0.743 8.093 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -1.342 -0.665 6.399 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -1.275 -0.772 8.147 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -0.123 1.559 6.581 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -1.767 1.527 7.186 1.00 0.00 H new ATOM 0 HE21 GLN A 82 1.563 2.062 7.928 1.00 0.00 H new ATOM 0 HE22 GLN A 82 1.365 2.430 9.644 1.00 0.00 H new ATOM 1211 N PHE A 83 0.212 -2.964 5.854 1.00 0.00 N ATOM 1212 CA PHE A 83 0.082 -4.394 5.601 1.00 0.00 C ATOM 1213 C PHE A 83 1.240 -4.906 4.752 1.00 0.00 C ATOM 1214 O PHE A 83 1.721 -4.211 3.857 1.00 0.00 O ATOM 1215 CB PHE A 83 -1.247 -4.689 4.902 1.00 0.00 C ATOM 1216 CG PHE A 83 -1.630 -6.142 4.929 1.00 0.00 C ATOM 1217 CD1 PHE A 83 -1.800 -6.803 6.135 1.00 0.00 C ATOM 1218 CD2 PHE A 83 -1.820 -6.843 3.751 1.00 0.00 C ATOM 1219 CE1 PHE A 83 -2.153 -8.140 6.163 1.00 0.00 C ATOM 1220 CE2 PHE A 83 -2.173 -8.179 3.772 1.00 0.00 C ATOM 1221 CZ PHE A 83 -2.339 -8.829 4.980 1.00 0.00 C ATOM 0 H PHE A 83 0.042 -2.374 5.039 1.00 0.00 H new ATOM 0 HA PHE A 83 0.104 -4.910 6.561 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -2.035 -4.105 5.377 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -1.185 -4.357 3.866 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -1.655 -6.269 7.062 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -1.691 -6.340 2.804 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -2.283 -8.645 7.109 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -2.319 -8.714 2.845 1.00 0.00 H new ATOM 0 HZ PHE A 83 -2.614 -9.873 4.999 1.00 0.00 H new ATOM 1231 N LEU A 84 1.685 -6.124 5.041 1.00 0.00 N ATOM 1232 CA LEU A 84 2.789 -6.729 4.303 1.00 0.00 C ATOM 1233 C LEU A 84 2.624 -8.244 4.223 1.00 0.00 C ATOM 1234 O LEU A 84 2.647 -8.936 5.240 1.00 0.00 O ATOM 1235 CB LEU A 84 4.123 -6.384 4.967 1.00 0.00 C ATOM 1236 CG LEU A 84 4.790 -5.107 4.454 1.00 0.00 C ATOM 1237 CD1 LEU A 84 5.887 -4.659 5.408 1.00 0.00 C ATOM 1238 CD2 LEU A 84 5.353 -5.325 3.057 1.00 0.00 C ATOM 0 H LEU A 84 1.299 -6.712 5.780 1.00 0.00 H new ATOM 0 HA LEU A 84 2.780 -6.327 3.290 1.00 0.00 H new ATOM 0 HB2 LEU A 84 3.962 -6.286 6.041 1.00 0.00 H new ATOM 0 HB3 LEU A 84 4.810 -7.218 4.822 1.00 0.00 H new ATOM 0 HG LEU A 84 4.037 -4.321 4.403 1.00 0.00 H new ATOM 0 HD11 LEU A 84 6.351 -3.749 5.027 1.00 0.00 H new ATOM 0 HD12 LEU A 84 5.457 -4.464 6.391 1.00 0.00 H new ATOM 0 HD13 LEU A 84 6.640 -5.443 5.491 1.00 0.00 H new ATOM 0 HD21 LEU A 84 5.824 -4.406 2.707 1.00 0.00 H new ATOM 0 HD22 LEU A 84 6.093 -6.125 3.084 1.00 0.00 H new ATOM 0 HD23 LEU A 84 4.546 -5.600 2.378 1.00 0.00 H new ATOM 1250 N GLY A 85 2.456 -8.751 3.005 1.00 0.00 N ATOM 1251 CA GLY A 85 2.289 -10.181 2.815 1.00 0.00 C ATOM 1252 C GLY A 85 1.532 -10.512 1.544 1.00 0.00 C ATOM 1253 O GLY A 85 1.728 -9.870 0.512 1.00 0.00 O ATOM 0 H GLY A 85 2.433 -8.198 2.148 1.00 0.00 H new ATOM 0 HA2 GLY A 85 3.269 -10.657 2.785 1.00 0.00 H new ATOM 0 HA3 GLY A 85 1.757 -10.598 3.670 1.00 0.00 H new ATOM 1257 N GLU A 86 0.668 -11.518 1.619 1.00 0.00 N ATOM 1258 CA GLU A 86 -0.121 -11.934 0.465 1.00 0.00 C ATOM 1259 C GLU A 86 -1.581 -11.520 0.625 1.00 0.00 C ATOM 1260 O GLU A 86 -2.043 -11.254 1.735 1.00 0.00 O ATOM 1261 CB GLU A 86 -0.027 -13.449 0.276 1.00 0.00 C ATOM 1262 CG GLU A 86 1.312 -13.912 -0.275 1.00 0.00 C ATOM 1263 CD GLU A 86 1.233 -15.275 -0.933 1.00 0.00 C ATOM 1264 OE1 GLU A 86 0.750 -16.223 -0.278 1.00 0.00 O ATOM 1265 OE2 GLU A 86 1.652 -15.395 -2.103 1.00 0.00 O ATOM 0 H GLU A 86 0.496 -12.060 2.466 1.00 0.00 H new ATOM 0 HA GLU A 86 0.284 -11.438 -0.417 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -0.205 -13.938 1.234 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -0.819 -13.772 -0.399 1.00 0.00 H new ATOM 0 HG2 GLU A 86 1.674 -13.183 -1.000 1.00 0.00 H new ATOM 0 HG3 GLU A 86 2.042 -13.945 0.534 1.00 0.00 H new ATOM 1272 N THR A 87 -2.302 -11.469 -0.491 1.00 0.00 N ATOM 1273 CA THR A 87 -3.710 -11.088 -0.474 1.00 0.00 C ATOM 1274 C THR A 87 -4.584 -12.215 -1.012 1.00 0.00 C ATOM 1275 O THR A 87 -4.091 -13.292 -1.348 1.00 0.00 O ATOM 1276 CB THR A 87 -3.926 -9.820 -1.302 1.00 0.00 C ATOM 1277 OG1 THR A 87 -3.567 -10.037 -2.654 1.00 0.00 O ATOM 1278 CG2 THR A 87 -3.129 -8.634 -0.800 1.00 0.00 C ATOM 0 H THR A 87 -1.935 -11.686 -1.417 1.00 0.00 H new ATOM 0 HA THR A 87 -3.996 -10.892 0.559 1.00 0.00 H new ATOM 0 HB THR A 87 -4.987 -9.591 -1.207 1.00 0.00 H new ATOM 0 HG1 THR A 87 -2.741 -9.550 -2.855 1.00 0.00 H new ATOM 0 HG21 THR A 87 -3.328 -7.768 -1.432 1.00 0.00 H new ATOM 0 HG22 THR A 87 -3.419 -8.409 0.226 1.00 0.00 H new ATOM 0 HG23 THR A 87 -2.065 -8.870 -0.833 1.00 0.00 H new ATOM 1286 N GLN A 88 -5.887 -11.960 -1.093 1.00 0.00 N ATOM 1287 CA GLN A 88 -6.831 -12.953 -1.590 1.00 0.00 C ATOM 1288 C GLN A 88 -7.402 -12.534 -2.942 1.00 0.00 C ATOM 1289 O GLN A 88 -7.710 -13.377 -3.784 1.00 0.00 O ATOM 1290 CB GLN A 88 -7.967 -13.156 -0.586 1.00 0.00 C ATOM 1291 CG GLN A 88 -7.593 -14.052 0.583 1.00 0.00 C ATOM 1292 CD GLN A 88 -7.367 -13.275 1.865 1.00 0.00 C ATOM 1293 OE1 GLN A 88 -8.318 -12.879 2.540 1.00 0.00 O ATOM 1294 NE2 GLN A 88 -6.104 -13.050 2.208 1.00 0.00 N ATOM 0 H GLN A 88 -6.312 -11.074 -0.821 1.00 0.00 H new ATOM 0 HA GLN A 88 -6.295 -13.894 -1.717 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -8.280 -12.185 -0.203 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -8.825 -13.586 -1.103 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -8.384 -14.785 0.742 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -6.689 -14.608 0.335 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -5.346 -13.396 1.619 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -5.892 -12.531 3.060 1.00 0.00 H new ATOM 1303 N PHE A 89 -7.540 -11.228 -3.141 1.00 0.00 N ATOM 1304 CA PHE A 89 -8.075 -10.698 -4.390 1.00 0.00 C ATOM 1305 C PHE A 89 -7.136 -10.995 -5.556 1.00 0.00 C ATOM 1306 O PHE A 89 -7.580 -11.315 -6.658 1.00 0.00 O ATOM 1307 CB PHE A 89 -8.302 -9.190 -4.274 1.00 0.00 C ATOM 1308 CG PHE A 89 -7.041 -8.409 -4.037 1.00 0.00 C ATOM 1309 CD1 PHE A 89 -6.591 -8.168 -2.749 1.00 0.00 C ATOM 1310 CD2 PHE A 89 -6.306 -7.916 -5.103 1.00 0.00 C ATOM 1311 CE1 PHE A 89 -5.431 -7.449 -2.529 1.00 0.00 C ATOM 1312 CE2 PHE A 89 -5.145 -7.197 -4.889 1.00 0.00 C ATOM 1313 CZ PHE A 89 -4.707 -6.964 -3.600 1.00 0.00 C ATOM 0 H PHE A 89 -7.289 -10.517 -2.454 1.00 0.00 H new ATOM 0 HA PHE A 89 -9.029 -11.188 -4.583 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -8.776 -8.831 -5.188 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -8.998 -8.997 -3.457 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -7.153 -8.546 -1.908 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -6.644 -8.096 -6.113 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -5.091 -7.267 -1.520 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -4.581 -6.818 -5.729 1.00 0.00 H new ATOM 0 HZ PHE A 89 -3.800 -6.403 -3.430 1.00 0.00 H new ATOM 1323 N ALA A 90 -5.835 -10.889 -5.303 1.00 0.00 N ATOM 1324 CA ALA A 90 -4.835 -11.148 -6.333 1.00 0.00 C ATOM 1325 C ALA A 90 -3.595 -11.815 -5.740 1.00 0.00 C ATOM 1326 O ALA A 90 -3.096 -11.393 -4.697 1.00 0.00 O ATOM 1327 CB ALA A 90 -4.455 -9.853 -7.034 1.00 0.00 C ATOM 0 H ALA A 90 -5.449 -10.626 -4.396 1.00 0.00 H new ATOM 0 HA ALA A 90 -5.269 -11.831 -7.063 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -3.708 -10.060 -7.800 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -5.340 -9.417 -7.498 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -4.044 -9.153 -6.307 1.00 0.00 H new ATOM 1333 N PRO A 91 -3.076 -12.871 -6.397 1.00 0.00 N ATOM 1334 CA PRO A 91 -1.887 -13.587 -5.921 1.00 0.00 C ATOM 1335 C PRO A 91 -0.685 -12.664 -5.751 1.00 0.00 C ATOM 1336 O PRO A 91 -0.829 -11.443 -5.701 1.00 0.00 O ATOM 1337 CB PRO A 91 -1.615 -14.616 -7.023 1.00 0.00 C ATOM 1338 CG PRO A 91 -2.919 -14.782 -7.724 1.00 0.00 C ATOM 1339 CD PRO A 91 -3.602 -13.447 -7.648 1.00 0.00 C ATOM 0 HA PRO A 91 -2.051 -14.031 -4.939 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -0.841 -14.267 -7.706 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -1.269 -15.561 -6.604 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -2.769 -15.085 -8.760 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -3.522 -15.556 -7.249 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -3.364 -12.823 -8.510 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -4.687 -13.551 -7.619 1.00 0.00 H new ATOM 1347 N GLY A 92 0.502 -13.257 -5.667 1.00 0.00 N ATOM 1348 CA GLY A 92 1.713 -12.474 -5.507 1.00 0.00 C ATOM 1349 C GLY A 92 1.788 -11.790 -4.156 1.00 0.00 C ATOM 1350 O GLY A 92 0.992 -12.078 -3.261 1.00 0.00 O ATOM 0 H GLY A 92 0.646 -14.266 -5.707 1.00 0.00 H new ATOM 0 HA2 GLY A 92 2.580 -13.123 -5.631 1.00 0.00 H new ATOM 0 HA3 GLY A 92 1.762 -11.722 -6.295 1.00 0.00 H new ATOM 1354 N GLN A 93 2.746 -10.882 -4.007 1.00 0.00 N ATOM 1355 CA GLN A 93 2.923 -10.154 -2.756 1.00 0.00 C ATOM 1356 C GLN A 93 2.449 -8.711 -2.892 1.00 0.00 C ATOM 1357 O GLN A 93 2.672 -8.069 -3.918 1.00 0.00 O ATOM 1358 CB GLN A 93 4.392 -10.183 -2.329 1.00 0.00 C ATOM 1359 CG GLN A 93 4.827 -11.512 -1.733 1.00 0.00 C ATOM 1360 CD GLN A 93 5.848 -11.346 -0.625 1.00 0.00 C ATOM 1361 OE1 GLN A 93 7.022 -11.680 -0.790 1.00 0.00 O ATOM 1362 NE2 GLN A 93 5.405 -10.829 0.516 1.00 0.00 N ATOM 0 H GLN A 93 3.412 -10.632 -4.738 1.00 0.00 H new ATOM 0 HA GLN A 93 2.319 -10.644 -1.992 1.00 0.00 H new ATOM 0 HB2 GLN A 93 5.017 -9.960 -3.194 1.00 0.00 H new ATOM 0 HB3 GLN A 93 4.565 -9.393 -1.598 1.00 0.00 H new ATOM 0 HG2 GLN A 93 3.954 -12.034 -1.342 1.00 0.00 H new ATOM 0 HG3 GLN A 93 5.248 -12.139 -2.519 1.00 0.00 H new ATOM 0 HE21 GLN A 93 4.424 -10.566 0.610 1.00 0.00 H new ATOM 0 HE22 GLN A 93 6.046 -10.695 1.298 1.00 0.00 H new ATOM 1371 N TRP A 94 1.795 -8.208 -1.850 1.00 0.00 N ATOM 1372 CA TRP A 94 1.290 -6.840 -1.853 1.00 0.00 C ATOM 1373 C TRP A 94 1.740 -6.093 -0.601 1.00 0.00 C ATOM 1374 O TRP A 94 2.193 -6.703 0.369 1.00 0.00 O ATOM 1375 CB TRP A 94 -0.237 -6.838 -1.940 1.00 0.00 C ATOM 1376 CG TRP A 94 -0.758 -7.322 -3.259 1.00 0.00 C ATOM 1377 CD1 TRP A 94 -1.054 -8.611 -3.599 1.00 0.00 C ATOM 1378 CD2 TRP A 94 -1.044 -6.525 -4.414 1.00 0.00 C ATOM 1379 NE1 TRP A 94 -1.506 -8.663 -4.896 1.00 0.00 N ATOM 1380 CE2 TRP A 94 -1.509 -7.396 -5.416 1.00 0.00 C ATOM 1381 CE3 TRP A 94 -0.952 -5.160 -4.697 1.00 0.00 C ATOM 1382 CZ2 TRP A 94 -1.882 -6.945 -6.680 1.00 0.00 C ATOM 1383 CZ3 TRP A 94 -1.320 -4.713 -5.951 1.00 0.00 C ATOM 1384 CH2 TRP A 94 -1.781 -5.603 -6.930 1.00 0.00 C ATOM 0 H TRP A 94 1.602 -8.727 -0.993 1.00 0.00 H new ATOM 0 HA TRP A 94 1.697 -6.330 -2.726 1.00 0.00 H new ATOM 0 HB2 TRP A 94 -0.640 -7.467 -1.146 1.00 0.00 H new ATOM 0 HB3 TRP A 94 -0.602 -5.827 -1.762 1.00 0.00 H new ATOM 0 HD1 TRP A 94 -0.948 -9.464 -2.945 1.00 0.00 H new ATOM 0 HE1 TRP A 94 -1.793 -9.508 -5.391 1.00 0.00 H new ATOM 0 HE3 TRP A 94 -0.599 -4.466 -3.948 1.00 0.00 H new ATOM 0 HZ2 TRP A 94 -2.238 -7.630 -7.436 1.00 0.00 H new ATOM 0 HZ3 TRP A 94 -1.251 -3.660 -6.181 1.00 0.00 H new ATOM 0 HH2 TRP A 94 -2.062 -5.223 -7.901 1.00 0.00 H new ATOM 1395 N ALA A 95 1.613 -4.771 -0.628 1.00 0.00 N ATOM 1396 CA ALA A 95 2.007 -3.942 0.503 1.00 0.00 C ATOM 1397 C ALA A 95 1.129 -2.699 0.607 1.00 0.00 C ATOM 1398 O ALA A 95 1.270 -1.761 -0.176 1.00 0.00 O ATOM 1399 CB ALA A 95 3.471 -3.547 0.384 1.00 0.00 C ATOM 0 H ALA A 95 1.240 -4.251 -1.422 1.00 0.00 H new ATOM 0 HA ALA A 95 1.872 -4.527 1.413 1.00 0.00 H new ATOM 0 HB1 ALA A 95 3.751 -2.928 1.236 1.00 0.00 H new ATOM 0 HB2 ALA A 95 4.090 -4.444 0.368 1.00 0.00 H new ATOM 0 HB3 ALA A 95 3.623 -2.986 -0.538 1.00 0.00 H new ATOM 1405 N GLY A 96 0.222 -2.701 1.578 1.00 0.00 N ATOM 1406 CA GLY A 96 -0.666 -1.569 1.766 1.00 0.00 C ATOM 1407 C GLY A 96 0.044 -0.366 2.357 1.00 0.00 C ATOM 1408 O GLY A 96 0.724 -0.478 3.377 1.00 0.00 O ATOM 0 H GLY A 96 0.086 -3.467 2.238 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -1.105 -1.293 0.807 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -1.487 -1.860 2.421 1.00 0.00 H new ATOM 1412 N ILE A 97 -0.115 0.787 1.715 1.00 0.00 N ATOM 1413 CA ILE A 97 0.516 2.015 2.183 1.00 0.00 C ATOM 1414 C ILE A 97 -0.522 3.109 2.415 1.00 0.00 C ATOM 1415 O ILE A 97 -1.537 3.174 1.722 1.00 0.00 O ATOM 1416 CB ILE A 97 1.567 2.527 1.178 1.00 0.00 C ATOM 1417 CG1 ILE A 97 2.540 1.406 0.806 1.00 0.00 C ATOM 1418 CG2 ILE A 97 2.321 3.716 1.757 1.00 0.00 C ATOM 1419 CD1 ILE A 97 3.013 1.469 -0.631 1.00 0.00 C ATOM 0 H ILE A 97 -0.675 0.896 0.870 1.00 0.00 H new ATOM 0 HA ILE A 97 1.011 1.778 3.125 1.00 0.00 H new ATOM 0 HB ILE A 97 1.052 2.852 0.274 1.00 0.00 H new ATOM 0 HG12 ILE A 97 3.405 1.452 1.467 1.00 0.00 H new ATOM 0 HG13 ILE A 97 2.057 0.444 0.979 1.00 0.00 H new ATOM 0 HG21 ILE A 97 3.059 4.065 1.035 1.00 0.00 H new ATOM 0 HG22 ILE A 97 1.619 4.520 1.976 1.00 0.00 H new ATOM 0 HG23 ILE A 97 2.826 3.415 2.675 1.00 0.00 H new ATOM 0 HD11 ILE A 97 3.700 0.645 -0.825 1.00 0.00 H new ATOM 0 HD12 ILE A 97 2.156 1.392 -1.300 1.00 0.00 H new ATOM 0 HD13 ILE A 97 3.525 2.416 -0.804 1.00 0.00 H new ATOM 1431 N VAL A 98 -0.258 3.968 3.396 1.00 0.00 N ATOM 1432 CA VAL A 98 -1.169 5.060 3.720 1.00 0.00 C ATOM 1433 C VAL A 98 -0.593 6.402 3.279 1.00 0.00 C ATOM 1434 O VAL A 98 0.487 6.801 3.718 1.00 0.00 O ATOM 1435 CB VAL A 98 -1.468 5.115 5.230 1.00 0.00 C ATOM 1436 CG1 VAL A 98 -2.546 6.146 5.526 1.00 0.00 C ATOM 1437 CG2 VAL A 98 -1.877 3.743 5.743 1.00 0.00 C ATOM 0 H VAL A 98 0.578 3.929 3.979 1.00 0.00 H new ATOM 0 HA VAL A 98 -2.097 4.869 3.181 1.00 0.00 H new ATOM 0 HB VAL A 98 -0.559 5.417 5.750 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -2.743 6.169 6.598 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -2.209 7.129 5.197 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -3.460 5.879 4.995 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -2.084 3.801 6.812 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -2.772 3.410 5.217 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -1.068 3.033 5.568 1.00 0.00 H new ATOM 1447 N LEU A 99 -1.319 7.095 2.409 1.00 0.00 N ATOM 1448 CA LEU A 99 -0.881 8.393 1.908 1.00 0.00 C ATOM 1449 C LEU A 99 -1.159 9.492 2.929 1.00 0.00 C ATOM 1450 O LEU A 99 -1.685 9.229 4.010 1.00 0.00 O ATOM 1451 CB LEU A 99 -1.582 8.715 0.587 1.00 0.00 C ATOM 1452 CG LEU A 99 -1.519 7.606 -0.466 1.00 0.00 C ATOM 1453 CD1 LEU A 99 -2.681 7.726 -1.439 1.00 0.00 C ATOM 1454 CD2 LEU A 99 -0.192 7.652 -1.207 1.00 0.00 C ATOM 0 H LEU A 99 -2.214 6.780 2.036 1.00 0.00 H new ATOM 0 HA LEU A 99 0.195 8.346 1.737 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -2.628 8.940 0.794 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -1.138 9.618 0.168 1.00 0.00 H new ATOM 0 HG LEU A 99 -1.597 6.644 0.041 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -2.619 6.929 -2.180 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -3.622 7.643 -0.894 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -2.637 8.692 -1.941 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -0.164 6.857 -1.952 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -0.085 8.617 -1.702 1.00 0.00 H new ATOM 0 HD23 LEU A 99 0.625 7.515 -0.499 1.00 0.00 H new ATOM 1466 N ASP A 100 -0.799 10.722 2.580 1.00 0.00 N ATOM 1467 CA ASP A 100 -1.007 11.861 3.468 1.00 0.00 C ATOM 1468 C ASP A 100 -2.236 12.663 3.052 1.00 0.00 C ATOM 1469 O ASP A 100 -2.964 13.183 3.897 1.00 0.00 O ATOM 1470 CB ASP A 100 0.228 12.764 3.471 1.00 0.00 C ATOM 1471 CG ASP A 100 1.350 12.206 4.327 1.00 0.00 C ATOM 1472 OD1 ASP A 100 1.065 11.750 5.454 1.00 0.00 O ATOM 1473 OD2 ASP A 100 2.511 12.226 3.870 1.00 0.00 O ATOM 0 H ASP A 100 -0.362 10.956 1.689 1.00 0.00 H new ATOM 0 HA ASP A 100 -1.172 11.477 4.475 1.00 0.00 H new ATOM 0 HB2 ASP A 100 0.584 12.892 2.449 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -0.049 13.752 3.838 1.00 0.00 H new ATOM 1478 N GLU A 101 -2.460 12.761 1.745 1.00 0.00 N ATOM 1479 CA GLU A 101 -3.601 13.501 1.219 1.00 0.00 C ATOM 1480 C GLU A 101 -4.592 12.562 0.535 1.00 0.00 C ATOM 1481 O GLU A 101 -4.226 11.468 0.107 1.00 0.00 O ATOM 1482 CB GLU A 101 -3.128 14.573 0.234 1.00 0.00 C ATOM 1483 CG GLU A 101 -3.741 15.942 0.483 1.00 0.00 C ATOM 1484 CD GLU A 101 -4.423 16.509 -0.747 1.00 0.00 C ATOM 1485 OE1 GLU A 101 -4.062 16.098 -1.870 1.00 0.00 O ATOM 1486 OE2 GLU A 101 -5.320 17.365 -0.587 1.00 0.00 O ATOM 0 H GLU A 101 -1.867 12.337 1.032 1.00 0.00 H new ATOM 0 HA GLU A 101 -4.107 13.984 2.055 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -2.043 14.654 0.292 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -3.370 14.255 -0.780 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -4.465 15.869 1.294 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -2.962 16.630 0.812 1.00 0.00 H new ATOM 1493 N PRO A 102 -5.868 12.977 0.425 1.00 0.00 N ATOM 1494 CA PRO A 102 -6.916 12.167 -0.208 1.00 0.00 C ATOM 1495 C PRO A 102 -6.685 11.988 -1.708 1.00 0.00 C ATOM 1496 O PRO A 102 -7.486 12.438 -2.528 1.00 0.00 O ATOM 1497 CB PRO A 102 -8.205 12.967 0.045 1.00 0.00 C ATOM 1498 CG PRO A 102 -7.854 13.968 1.094 1.00 0.00 C ATOM 1499 CD PRO A 102 -6.394 14.260 0.913 1.00 0.00 C ATOM 0 HA PRO A 102 -6.945 11.157 0.200 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -8.548 13.457 -0.866 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -9.012 12.315 0.379 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -8.450 14.874 0.984 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -8.053 13.575 2.091 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -6.227 15.065 0.197 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -5.922 14.562 1.848 1.00 0.00 H new ATOM 1507 N ILE A 103 -5.586 11.328 -2.058 1.00 0.00 N ATOM 1508 CA ILE A 103 -5.252 11.090 -3.457 1.00 0.00 C ATOM 1509 C ILE A 103 -5.360 9.609 -3.809 1.00 0.00 C ATOM 1510 O ILE A 103 -5.546 9.249 -4.971 1.00 0.00 O ATOM 1511 CB ILE A 103 -3.829 11.580 -3.789 1.00 0.00 C ATOM 1512 CG1 ILE A 103 -2.838 11.094 -2.730 1.00 0.00 C ATOM 1513 CG2 ILE A 103 -3.802 13.098 -3.893 1.00 0.00 C ATOM 1514 CD1 ILE A 103 -1.390 11.244 -3.144 1.00 0.00 C ATOM 0 H ILE A 103 -4.912 10.949 -1.393 1.00 0.00 H new ATOM 0 HA ILE A 103 -5.972 11.655 -4.050 1.00 0.00 H new ATOM 0 HB ILE A 103 -3.533 11.165 -4.752 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -3.003 11.650 -1.807 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -3.038 10.045 -2.511 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -2.790 13.429 -4.128 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -4.482 13.421 -4.682 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -4.115 13.533 -2.944 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -0.744 10.880 -2.345 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -1.209 10.666 -4.050 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -1.173 12.295 -3.335 1.00 0.00 H new ATOM 1526 N GLY A 104 -5.241 8.752 -2.798 1.00 0.00 N ATOM 1527 CA GLY A 104 -5.327 7.320 -3.024 1.00 0.00 C ATOM 1528 C GLY A 104 -6.619 6.914 -3.704 1.00 0.00 C ATOM 1529 O GLY A 104 -7.393 7.765 -4.143 1.00 0.00 O ATOM 0 H GLY A 104 -5.087 9.024 -1.827 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -4.483 7.001 -3.636 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -5.244 6.800 -2.070 1.00 0.00 H new ATOM 1533 N LYS A 105 -6.853 5.608 -3.794 1.00 0.00 N ATOM 1534 CA LYS A 105 -8.060 5.088 -4.426 1.00 0.00 C ATOM 1535 C LYS A 105 -8.799 4.138 -3.490 1.00 0.00 C ATOM 1536 O LYS A 105 -10.024 4.194 -3.371 1.00 0.00 O ATOM 1537 CB LYS A 105 -7.706 4.367 -5.728 1.00 0.00 C ATOM 1538 CG LYS A 105 -7.289 5.304 -6.849 1.00 0.00 C ATOM 1539 CD LYS A 105 -5.841 5.741 -6.701 1.00 0.00 C ATOM 1540 CE LYS A 105 -5.162 5.884 -8.054 1.00 0.00 C ATOM 1541 NZ LYS A 105 -4.755 4.565 -8.613 1.00 0.00 N ATOM 0 H LYS A 105 -6.222 4.891 -3.437 1.00 0.00 H new ATOM 0 HA LYS A 105 -8.715 5.930 -4.650 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -6.897 3.663 -5.535 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -8.566 3.783 -6.055 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -7.423 4.806 -7.809 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -7.936 6.181 -6.851 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -5.799 6.692 -6.169 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -5.300 5.013 -6.096 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -5.839 6.380 -8.750 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -4.284 6.522 -7.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -4.296 4.706 -9.536 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -4.089 4.103 -7.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -5.596 3.964 -8.733 1.00 0.00 H new ATOM 1555 N ASN A 106 -8.048 3.265 -2.827 1.00 0.00 N ATOM 1556 CA ASN A 106 -8.632 2.302 -1.901 1.00 0.00 C ATOM 1557 C ASN A 106 -8.641 2.850 -0.479 1.00 0.00 C ATOM 1558 O ASN A 106 -8.095 3.921 -0.213 1.00 0.00 O ATOM 1559 CB ASN A 106 -7.856 0.983 -1.948 1.00 0.00 C ATOM 1560 CG ASN A 106 -7.997 0.276 -3.281 1.00 0.00 C ATOM 1561 OD1 ASN A 106 -8.606 0.799 -4.214 1.00 0.00 O ATOM 1562 ND2 ASN A 106 -7.433 -0.923 -3.377 1.00 0.00 N ATOM 0 H ASN A 106 -7.033 3.205 -2.914 1.00 0.00 H new ATOM 0 HA ASN A 106 -9.662 2.121 -2.207 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -6.801 1.178 -1.753 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -8.211 0.327 -1.153 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -7.495 -1.448 -4.250 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -6.937 -1.319 -2.578 1.00 0.00 H new ATOM 1569 N ASP A 107 -9.263 2.109 0.432 1.00 0.00 N ATOM 1570 CA ASP A 107 -9.343 2.521 1.828 1.00 0.00 C ATOM 1571 C ASP A 107 -8.884 1.399 2.754 1.00 0.00 C ATOM 1572 O ASP A 107 -9.359 1.280 3.884 1.00 0.00 O ATOM 1573 CB ASP A 107 -10.773 2.935 2.179 1.00 0.00 C ATOM 1574 CG ASP A 107 -11.198 4.208 1.472 1.00 0.00 C ATOM 1575 OD1 ASP A 107 -10.555 4.571 0.465 1.00 0.00 O ATOM 1576 OD2 ASP A 107 -12.174 4.842 1.926 1.00 0.00 O ATOM 0 H ASP A 107 -9.719 1.220 0.228 1.00 0.00 H new ATOM 0 HA ASP A 107 -8.681 3.376 1.967 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -11.457 2.129 1.913 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -10.853 3.078 3.257 1.00 0.00 H new ATOM 1581 N GLY A 108 -7.959 0.577 2.267 1.00 0.00 N ATOM 1582 CA GLY A 108 -7.453 -0.524 3.065 1.00 0.00 C ATOM 1583 C GLY A 108 -8.429 -1.680 3.144 1.00 0.00 C ATOM 1584 O GLY A 108 -8.443 -2.424 4.126 1.00 0.00 O ATOM 0 H GLY A 108 -7.552 0.654 1.335 1.00 0.00 H new ATOM 0 HA2 GLY A 108 -6.513 -0.875 2.639 1.00 0.00 H new ATOM 0 HA3 GLY A 108 -7.234 -0.168 4.072 1.00 0.00 H new ATOM 1588 N SER A 109 -9.248 -1.834 2.109 1.00 0.00 N ATOM 1589 CA SER A 109 -10.234 -2.908 2.066 1.00 0.00 C ATOM 1590 C SER A 109 -10.514 -3.333 0.627 1.00 0.00 C ATOM 1591 O SER A 109 -10.929 -2.522 -0.201 1.00 0.00 O ATOM 1592 CB SER A 109 -11.532 -2.465 2.741 1.00 0.00 C ATOM 1593 OG SER A 109 -11.546 -2.829 4.110 1.00 0.00 O ATOM 0 H SER A 109 -9.249 -1.228 1.288 1.00 0.00 H new ATOM 0 HA SER A 109 -9.826 -3.763 2.605 1.00 0.00 H new ATOM 0 HB2 SER A 109 -11.643 -1.385 2.648 1.00 0.00 H new ATOM 0 HB3 SER A 109 -12.383 -2.918 2.232 1.00 0.00 H new ATOM 0 HG SER A 109 -12.469 -2.832 4.438 1.00 0.00 H new ATOM 1599 N VAL A 110 -10.282 -4.609 0.337 1.00 0.00 N ATOM 1600 CA VAL A 110 -10.510 -5.143 -1.000 1.00 0.00 C ATOM 1601 C VAL A 110 -11.466 -6.330 -0.964 1.00 0.00 C ATOM 1602 O VAL A 110 -11.186 -7.345 -0.327 1.00 0.00 O ATOM 1603 CB VAL A 110 -9.191 -5.582 -1.663 1.00 0.00 C ATOM 1604 CG1 VAL A 110 -9.418 -5.944 -3.122 1.00 0.00 C ATOM 1605 CG2 VAL A 110 -8.140 -4.490 -1.534 1.00 0.00 C ATOM 0 H VAL A 110 -9.936 -5.292 1.011 1.00 0.00 H new ATOM 0 HA VAL A 110 -10.954 -4.340 -1.588 1.00 0.00 H new ATOM 0 HB VAL A 110 -8.826 -6.470 -1.147 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -8.474 -6.251 -3.572 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -10.134 -6.763 -3.186 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -9.809 -5.077 -3.655 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -7.215 -4.818 -2.008 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -8.496 -3.583 -2.022 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -7.955 -4.286 -0.479 1.00 0.00 H new ATOM 1615 N ALA A 111 -12.595 -6.196 -1.651 1.00 0.00 N ATOM 1616 CA ALA A 111 -13.593 -7.258 -1.697 1.00 0.00 C ATOM 1617 C ALA A 111 -14.102 -7.595 -0.300 1.00 0.00 C ATOM 1618 O ALA A 111 -14.359 -8.757 0.014 1.00 0.00 O ATOM 1619 CB ALA A 111 -13.013 -8.496 -2.363 1.00 0.00 C ATOM 0 H ALA A 111 -12.842 -5.362 -2.184 1.00 0.00 H new ATOM 0 HA ALA A 111 -14.439 -6.904 -2.286 1.00 0.00 H new ATOM 0 HB1 ALA A 111 -13.768 -9.282 -2.391 1.00 0.00 H new ATOM 0 HB2 ALA A 111 -12.705 -8.252 -3.380 1.00 0.00 H new ATOM 0 HB3 ALA A 111 -12.149 -8.843 -1.796 1.00 0.00 H new ATOM 1625 N GLY A 112 -14.244 -6.571 0.536 1.00 0.00 N ATOM 1626 CA GLY A 112 -14.721 -6.780 1.889 1.00 0.00 C ATOM 1627 C GLY A 112 -13.694 -7.466 2.767 1.00 0.00 C ATOM 1628 O GLY A 112 -14.046 -8.172 3.712 1.00 0.00 O ATOM 0 H GLY A 112 -14.037 -5.601 0.300 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -14.987 -5.819 2.329 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -15.630 -7.381 1.862 1.00 0.00 H new ATOM 1632 N VAL A 113 -12.419 -7.258 2.455 1.00 0.00 N ATOM 1633 CA VAL A 113 -11.335 -7.863 3.222 1.00 0.00 C ATOM 1634 C VAL A 113 -10.412 -6.796 3.801 1.00 0.00 C ATOM 1635 O VAL A 113 -9.548 -6.264 3.106 1.00 0.00 O ATOM 1636 CB VAL A 113 -10.505 -8.829 2.357 1.00 0.00 C ATOM 1637 CG1 VAL A 113 -9.511 -9.595 3.216 1.00 0.00 C ATOM 1638 CG2 VAL A 113 -11.415 -9.784 1.600 1.00 0.00 C ATOM 0 H VAL A 113 -12.111 -6.675 1.677 1.00 0.00 H new ATOM 0 HA VAL A 113 -11.797 -8.423 4.036 1.00 0.00 H new ATOM 0 HB VAL A 113 -9.944 -8.244 1.628 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -8.933 -10.273 2.587 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -8.837 -8.893 3.707 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -10.049 -10.169 3.970 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -10.811 -10.459 0.994 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -12.005 -10.364 2.310 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -12.082 -9.215 0.953 1.00 0.00 H new ATOM 1648 N ARG A 114 -10.602 -6.488 5.081 1.00 0.00 N ATOM 1649 CA ARG A 114 -9.787 -5.485 5.755 1.00 0.00 C ATOM 1650 C ARG A 114 -8.384 -6.018 6.028 1.00 0.00 C ATOM 1651 O ARG A 114 -8.219 -7.078 6.632 1.00 0.00 O ATOM 1652 CB ARG A 114 -10.452 -5.055 7.066 1.00 0.00 C ATOM 1653 CG ARG A 114 -10.622 -3.551 7.196 1.00 0.00 C ATOM 1654 CD ARG A 114 -11.862 -3.198 8.003 1.00 0.00 C ATOM 1655 NE ARG A 114 -12.693 -2.206 7.324 1.00 0.00 N ATOM 1656 CZ ARG A 114 -13.649 -1.502 7.926 1.00 0.00 C ATOM 1657 NH1 ARG A 114 -13.896 -1.676 9.218 1.00 0.00 N ATOM 1658 NH2 ARG A 114 -14.357 -0.622 7.233 1.00 0.00 N ATOM 0 H ARG A 114 -11.313 -6.919 5.671 1.00 0.00 H new ATOM 0 HA ARG A 114 -9.703 -4.618 5.099 1.00 0.00 H new ATOM 0 HB2 ARG A 114 -11.430 -5.531 7.141 1.00 0.00 H new ATOM 0 HB3 ARG A 114 -9.856 -5.419 7.903 1.00 0.00 H new ATOM 0 HG2 ARG A 114 -9.741 -3.124 7.675 1.00 0.00 H new ATOM 0 HG3 ARG A 114 -10.693 -3.105 6.204 1.00 0.00 H new ATOM 0 HD2 ARG A 114 -12.447 -4.100 8.182 1.00 0.00 H new ATOM 0 HD3 ARG A 114 -11.563 -2.814 8.978 1.00 0.00 H new ATOM 0 HE ARG A 114 -12.531 -2.043 6.330 1.00 0.00 H new ATOM 0 HH11 ARG A 114 -13.352 -2.352 9.755 1.00 0.00 H new ATOM 0 HH12 ARG A 114 -14.630 -1.134 9.674 1.00 0.00 H new ATOM 0 HH21 ARG A 114 -14.169 -0.485 6.240 1.00 0.00 H new ATOM 0 HH22 ARG A 114 -15.090 -0.082 7.693 1.00 0.00 H new ATOM 1672 N TYR A 115 -7.377 -5.275 5.580 1.00 0.00 N ATOM 1673 CA TYR A 115 -5.987 -5.672 5.776 1.00 0.00 C ATOM 1674 C TYR A 115 -5.281 -4.723 6.737 1.00 0.00 C ATOM 1675 O TYR A 115 -4.429 -5.138 7.523 1.00 0.00 O ATOM 1676 CB TYR A 115 -5.250 -5.703 4.436 1.00 0.00 C ATOM 1677 CG TYR A 115 -5.823 -6.697 3.452 1.00 0.00 C ATOM 1678 CD1 TYR A 115 -5.478 -8.042 3.513 1.00 0.00 C ATOM 1679 CD2 TYR A 115 -6.710 -6.292 2.462 1.00 0.00 C ATOM 1680 CE1 TYR A 115 -6.000 -8.954 2.615 1.00 0.00 C ATOM 1681 CE2 TYR A 115 -7.236 -7.198 1.561 1.00 0.00 C ATOM 1682 CZ TYR A 115 -6.878 -8.527 1.643 1.00 0.00 C ATOM 1683 OH TYR A 115 -7.400 -9.433 0.747 1.00 0.00 O ATOM 0 H TYR A 115 -7.497 -4.395 5.079 1.00 0.00 H new ATOM 0 HA TYR A 115 -5.978 -6.672 6.210 1.00 0.00 H new ATOM 0 HB2 TYR A 115 -5.279 -4.708 3.992 1.00 0.00 H new ATOM 0 HB3 TYR A 115 -4.202 -5.943 4.613 1.00 0.00 H new ATOM 0 HD1 TYR A 115 -4.791 -8.380 4.274 1.00 0.00 H new ATOM 0 HD2 TYR A 115 -6.993 -5.252 2.396 1.00 0.00 H new ATOM 0 HE1 TYR A 115 -5.721 -9.996 2.675 1.00 0.00 H new ATOM 0 HE2 TYR A 115 -7.924 -6.867 0.797 1.00 0.00 H new ATOM 0 HH TYR A 115 -8.003 -8.971 0.128 1.00 0.00 H new ATOM 1693 N PHE A 116 -5.640 -3.445 6.671 1.00 0.00 N ATOM 1694 CA PHE A 116 -5.040 -2.436 7.536 1.00 0.00 C ATOM 1695 C PHE A 116 -5.926 -1.198 7.628 1.00 0.00 C ATOM 1696 O PHE A 116 -6.335 -0.639 6.610 1.00 0.00 O ATOM 1697 CB PHE A 116 -3.655 -2.048 7.017 1.00 0.00 C ATOM 1698 CG PHE A 116 -3.679 -1.414 5.660 1.00 0.00 C ATOM 1699 CD1 PHE A 116 -3.791 -2.197 4.523 1.00 0.00 C ATOM 1700 CD2 PHE A 116 -3.585 -0.041 5.520 1.00 0.00 C ATOM 1701 CE1 PHE A 116 -3.810 -1.620 3.270 1.00 0.00 C ATOM 1702 CE2 PHE A 116 -3.603 0.542 4.269 1.00 0.00 C ATOM 1703 CZ PHE A 116 -3.716 -0.250 3.144 1.00 0.00 C ATOM 0 H PHE A 116 -6.344 -3.084 6.027 1.00 0.00 H new ATOM 0 HA PHE A 116 -4.941 -2.863 8.534 1.00 0.00 H new ATOM 0 HB2 PHE A 116 -3.192 -1.359 7.723 1.00 0.00 H new ATOM 0 HB3 PHE A 116 -3.027 -2.938 6.982 1.00 0.00 H new ATOM 0 HD1 PHE A 116 -3.864 -3.270 4.618 1.00 0.00 H new ATOM 0 HD2 PHE A 116 -3.497 0.581 6.398 1.00 0.00 H new ATOM 0 HE1 PHE A 116 -3.898 -2.240 2.390 1.00 0.00 H new ATOM 0 HE2 PHE A 116 -3.529 1.615 4.171 1.00 0.00 H new ATOM 0 HZ PHE A 116 -3.731 0.204 2.164 1.00 0.00 H new ATOM 1713 N GLN A 117 -6.219 -0.775 8.853 1.00 0.00 N ATOM 1714 CA GLN A 117 -7.056 0.398 9.077 1.00 0.00 C ATOM 1715 C GLN A 117 -6.313 1.676 8.699 1.00 0.00 C ATOM 1716 O GLN A 117 -5.210 1.931 9.184 1.00 0.00 O ATOM 1717 CB GLN A 117 -7.497 0.462 10.541 1.00 0.00 C ATOM 1718 CG GLN A 117 -8.965 0.814 10.720 1.00 0.00 C ATOM 1719 CD GLN A 117 -9.307 2.183 10.168 1.00 0.00 C ATOM 1720 OE1 GLN A 117 -9.676 2.232 8.893 1.00 0.00 O flip ATOM 1721 NE2 GLN A 117 -9.241 3.187 10.878 1.00 0.00 N flip ATOM 0 H GLN A 117 -5.889 -1.227 9.706 1.00 0.00 H new ATOM 0 HA GLN A 117 -7.938 0.312 8.443 1.00 0.00 H new ATOM 0 HB2 GLN A 117 -7.303 -0.501 11.013 1.00 0.00 H new ATOM 0 HB3 GLN A 117 -6.889 1.201 11.063 1.00 0.00 H new ATOM 0 HG2 GLN A 117 -9.578 0.062 10.223 1.00 0.00 H new ATOM 0 HG3 GLN A 117 -9.216 0.781 11.780 1.00 0.00 H new ATOM 0 HE21 GLN A 117 -8.953 3.104 11.853 1.00 0.00 H new ATOM 0 HE22 GLN A 117 -9.475 4.101 10.491 1.00 0.00 H new ATOM 1730 N CYS A 118 -6.923 2.475 7.830 1.00 0.00 N ATOM 1731 CA CYS A 118 -6.317 3.726 7.389 1.00 0.00 C ATOM 1732 C CYS A 118 -7.386 4.747 7.013 1.00 0.00 C ATOM 1733 O CYS A 118 -8.582 4.470 7.102 1.00 0.00 O ATOM 1734 CB CYS A 118 -5.394 3.474 6.195 1.00 0.00 C ATOM 1735 SG CYS A 118 -6.190 2.620 4.814 1.00 0.00 S ATOM 0 H CYS A 118 -7.835 2.279 7.418 1.00 0.00 H new ATOM 0 HA CYS A 118 -5.732 4.129 8.215 1.00 0.00 H new ATOM 0 HB2 CYS A 118 -5.005 4.429 5.842 1.00 0.00 H new ATOM 0 HB3 CYS A 118 -4.539 2.885 6.528 1.00 0.00 H new ATOM 0 HG CYS A 118 -5.362 1.760 4.301 1.00 0.00 H new ATOM 1741 N GLU A 119 -6.946 5.929 6.593 1.00 0.00 N ATOM 1742 CA GLU A 119 -7.865 6.992 6.204 1.00 0.00 C ATOM 1743 C GLU A 119 -8.367 6.783 4.777 1.00 0.00 C ATOM 1744 O GLU A 119 -7.669 6.204 3.944 1.00 0.00 O ATOM 1745 CB GLU A 119 -7.179 8.354 6.321 1.00 0.00 C ATOM 1746 CG GLU A 119 -6.905 8.775 7.756 1.00 0.00 C ATOM 1747 CD GLU A 119 -8.155 9.240 8.476 1.00 0.00 C ATOM 1748 OE1 GLU A 119 -8.484 10.442 8.380 1.00 0.00 O ATOM 1749 OE2 GLU A 119 -8.806 8.404 9.137 1.00 0.00 O ATOM 0 H GLU A 119 -5.959 6.174 6.513 1.00 0.00 H new ATOM 0 HA GLU A 119 -8.721 6.964 6.878 1.00 0.00 H new ATOM 0 HB2 GLU A 119 -6.237 8.326 5.773 1.00 0.00 H new ATOM 0 HB3 GLU A 119 -7.803 9.109 5.843 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -6.468 7.937 8.299 1.00 0.00 H new ATOM 0 HG3 GLU A 119 -6.168 9.578 7.761 1.00 0.00 H new ATOM 1756 N PRO A 120 -9.591 7.250 4.475 1.00 0.00 N ATOM 1757 CA PRO A 120 -10.183 7.108 3.140 1.00 0.00 C ATOM 1758 C PRO A 120 -9.370 7.819 2.063 1.00 0.00 C ATOM 1759 O PRO A 120 -8.786 8.875 2.307 1.00 0.00 O ATOM 1760 CB PRO A 120 -11.563 7.764 3.278 1.00 0.00 C ATOM 1761 CG PRO A 120 -11.834 7.799 4.743 1.00 0.00 C ATOM 1762 CD PRO A 120 -10.496 7.945 5.405 1.00 0.00 C ATOM 0 HA PRO A 120 -10.222 6.064 2.830 1.00 0.00 H new ATOM 0 HB2 PRO A 120 -11.566 8.768 2.853 1.00 0.00 H new ATOM 0 HB3 PRO A 120 -12.326 7.192 2.750 1.00 0.00 H new ATOM 0 HG2 PRO A 120 -12.489 8.631 4.999 1.00 0.00 H new ATOM 0 HG3 PRO A 120 -12.334 6.887 5.070 1.00 0.00 H new ATOM 0 HD2 PRO A 120 -10.220 8.992 5.531 1.00 0.00 H new ATOM 0 HD3 PRO A 120 -10.484 7.491 6.396 1.00 0.00 H new ATOM 1770 N LEU A 121 -9.344 7.236 0.869 1.00 0.00 N ATOM 1771 CA LEU A 121 -8.612 7.815 -0.251 1.00 0.00 C ATOM 1772 C LEU A 121 -7.129 7.968 0.075 1.00 0.00 C ATOM 1773 O LEU A 121 -6.461 8.865 -0.442 1.00 0.00 O ATOM 1774 CB LEU A 121 -9.206 9.175 -0.624 1.00 0.00 C ATOM 1775 CG LEU A 121 -10.734 9.230 -0.650 1.00 0.00 C ATOM 1776 CD1 LEU A 121 -11.227 10.598 -0.206 1.00 0.00 C ATOM 1777 CD2 LEU A 121 -11.254 8.900 -2.041 1.00 0.00 C ATOM 0 H LEU A 121 -9.822 6.362 0.652 1.00 0.00 H new ATOM 0 HA LEU A 121 -8.706 7.136 -1.098 1.00 0.00 H new ATOM 0 HB2 LEU A 121 -8.843 9.919 0.085 1.00 0.00 H new ATOM 0 HB3 LEU A 121 -8.831 9.461 -1.607 1.00 0.00 H new ATOM 0 HG LEU A 121 -11.118 8.485 0.047 1.00 0.00 H new ATOM 0 HD11 LEU A 121 -12.317 10.618 -0.231 1.00 0.00 H new ATOM 0 HD12 LEU A 121 -10.884 10.797 0.809 1.00 0.00 H new ATOM 0 HD13 LEU A 121 -10.835 11.362 -0.878 1.00 0.00 H new ATOM 0 HD21 LEU A 121 -12.343 8.944 -2.042 1.00 0.00 H new ATOM 0 HD22 LEU A 121 -10.861 9.622 -2.757 1.00 0.00 H new ATOM 0 HD23 LEU A 121 -10.931 7.898 -2.322 1.00 0.00 H new ATOM 1789 N LYS A 122 -6.617 7.088 0.928 1.00 0.00 N ATOM 1790 CA LYS A 122 -5.212 7.129 1.315 1.00 0.00 C ATOM 1791 C LYS A 122 -4.576 5.747 1.204 1.00 0.00 C ATOM 1792 O LYS A 122 -3.470 5.602 0.684 1.00 0.00 O ATOM 1793 CB LYS A 122 -5.065 7.662 2.742 1.00 0.00 C ATOM 1794 CG LYS A 122 -4.851 9.164 2.809 1.00 0.00 C ATOM 1795 CD LYS A 122 -6.102 9.887 3.283 1.00 0.00 C ATOM 1796 CE LYS A 122 -5.790 11.305 3.732 1.00 0.00 C ATOM 1797 NZ LYS A 122 -5.182 11.336 5.092 1.00 0.00 N ATOM 0 H LYS A 122 -7.153 6.338 1.364 1.00 0.00 H new ATOM 0 HA LYS A 122 -4.694 7.802 0.632 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -5.958 7.405 3.311 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -4.225 7.162 3.224 1.00 0.00 H new ATOM 0 HG2 LYS A 122 -4.025 9.385 3.485 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -4.566 9.536 1.825 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -6.836 9.913 2.477 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -6.553 9.334 4.107 1.00 0.00 H new ATOM 0 HE2 LYS A 122 -5.109 11.770 3.019 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -6.706 11.896 3.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -5.861 11.744 5.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -4.940 10.368 5.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -4.320 11.918 5.074 1.00 0.00 H new ATOM 1811 N GLY A 123 -5.282 4.734 1.697 1.00 0.00 N ATOM 1812 CA GLY A 123 -4.768 3.377 1.641 1.00 0.00 C ATOM 1813 C GLY A 123 -4.773 2.814 0.233 1.00 0.00 C ATOM 1814 O GLY A 123 -5.834 2.627 -0.363 1.00 0.00 O ATOM 0 H GLY A 123 -6.199 4.828 2.133 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -3.751 3.360 2.032 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -5.369 2.737 2.287 1.00 0.00 H new ATOM 1818 N ILE A 124 -3.586 2.545 -0.299 1.00 0.00 N ATOM 1819 CA ILE A 124 -3.457 2.001 -1.646 1.00 0.00 C ATOM 1820 C ILE A 124 -2.620 0.726 -1.643 1.00 0.00 C ATOM 1821 O ILE A 124 -1.630 0.622 -0.918 1.00 0.00 O ATOM 1822 CB ILE A 124 -2.819 3.027 -2.605 1.00 0.00 C ATOM 1823 CG1 ILE A 124 -2.787 2.478 -4.033 1.00 0.00 C ATOM 1824 CG2 ILE A 124 -1.416 3.391 -2.139 1.00 0.00 C ATOM 1825 CD1 ILE A 124 -3.105 3.516 -5.087 1.00 0.00 C ATOM 0 H ILE A 124 -2.699 2.695 0.182 1.00 0.00 H new ATOM 0 HA ILE A 124 -4.463 1.768 -1.996 1.00 0.00 H new ATOM 0 HB ILE A 124 -3.428 3.931 -2.599 1.00 0.00 H new ATOM 0 HG12 ILE A 124 -1.800 2.061 -4.231 1.00 0.00 H new ATOM 0 HG13 ILE A 124 -3.501 1.659 -4.115 1.00 0.00 H new ATOM 0 HG21 ILE A 124 -0.981 4.116 -2.827 1.00 0.00 H new ATOM 0 HG22 ILE A 124 -1.465 3.823 -1.140 1.00 0.00 H new ATOM 0 HG23 ILE A 124 -0.796 2.495 -2.116 1.00 0.00 H new ATOM 0 HD11 ILE A 124 -3.064 3.056 -6.074 1.00 0.00 H new ATOM 0 HD12 ILE A 124 -4.104 3.916 -4.914 1.00 0.00 H new ATOM 0 HD13 ILE A 124 -2.376 4.325 -5.033 1.00 0.00 H new ATOM 1837 N PHE A 125 -3.023 -0.243 -2.460 1.00 0.00 N ATOM 1838 CA PHE A 125 -2.310 -1.511 -2.550 1.00 0.00 C ATOM 1839 C PHE A 125 -1.374 -1.524 -3.755 1.00 0.00 C ATOM 1840 O PHE A 125 -1.754 -1.118 -4.853 1.00 0.00 O ATOM 1841 CB PHE A 125 -3.301 -2.673 -2.646 1.00 0.00 C ATOM 1842 CG PHE A 125 -3.630 -3.292 -1.318 1.00 0.00 C ATOM 1843 CD1 PHE A 125 -2.725 -4.131 -0.686 1.00 0.00 C ATOM 1844 CD2 PHE A 125 -4.844 -3.037 -0.701 1.00 0.00 C ATOM 1845 CE1 PHE A 125 -3.024 -4.702 0.536 1.00 0.00 C ATOM 1846 CE2 PHE A 125 -5.149 -3.606 0.521 1.00 0.00 C ATOM 1847 CZ PHE A 125 -4.238 -4.439 1.141 1.00 0.00 C ATOM 0 H PHE A 125 -3.839 -0.173 -3.068 1.00 0.00 H new ATOM 0 HA PHE A 125 -1.712 -1.628 -1.646 1.00 0.00 H new ATOM 0 HB2 PHE A 125 -4.221 -2.318 -3.110 1.00 0.00 H new ATOM 0 HB3 PHE A 125 -2.888 -3.439 -3.302 1.00 0.00 H new ATOM 0 HD1 PHE A 125 -1.775 -4.341 -1.155 1.00 0.00 H new ATOM 0 HD2 PHE A 125 -5.560 -2.386 -1.180 1.00 0.00 H new ATOM 0 HE1 PHE A 125 -2.310 -5.353 1.018 1.00 0.00 H new ATOM 0 HE2 PHE A 125 -6.099 -3.399 0.991 1.00 0.00 H new ATOM 0 HZ PHE A 125 -4.474 -4.884 2.096 1.00 0.00 H new ATOM 1857 N THR A 126 -0.149 -1.994 -3.541 1.00 0.00 N ATOM 1858 CA THR A 126 0.841 -2.060 -4.610 1.00 0.00 C ATOM 1859 C THR A 126 1.918 -3.091 -4.287 1.00 0.00 C ATOM 1860 O THR A 126 1.932 -3.670 -3.201 1.00 0.00 O ATOM 1861 CB THR A 126 1.480 -0.687 -4.826 1.00 0.00 C ATOM 1862 OG1 THR A 126 2.578 -0.780 -5.716 1.00 0.00 O ATOM 1863 CG2 THR A 126 1.978 -0.051 -3.546 1.00 0.00 C ATOM 0 H THR A 126 0.181 -2.334 -2.638 1.00 0.00 H new ATOM 0 HA THR A 126 0.334 -2.364 -5.526 1.00 0.00 H new ATOM 0 HB THR A 126 0.689 -0.061 -5.239 1.00 0.00 H new ATOM 0 HG1 THR A 126 2.972 0.108 -5.843 1.00 0.00 H new ATOM 0 HG21 THR A 126 2.420 0.920 -3.770 1.00 0.00 H new ATOM 0 HG22 THR A 126 1.144 0.080 -2.856 1.00 0.00 H new ATOM 0 HG23 THR A 126 2.730 -0.694 -3.088 1.00 0.00 H new ATOM 1871 N ARG A 127 2.819 -3.317 -5.238 1.00 0.00 N ATOM 1872 CA ARG A 127 3.899 -4.278 -5.055 1.00 0.00 C ATOM 1873 C ARG A 127 5.052 -3.660 -4.265 1.00 0.00 C ATOM 1874 O ARG A 127 5.346 -2.474 -4.412 1.00 0.00 O ATOM 1875 CB ARG A 127 4.404 -4.774 -6.411 1.00 0.00 C ATOM 1876 CG ARG A 127 3.514 -5.832 -7.043 1.00 0.00 C ATOM 1877 CD ARG A 127 4.161 -7.208 -6.998 1.00 0.00 C ATOM 1878 NE ARG A 127 4.806 -7.551 -8.264 1.00 0.00 N ATOM 1879 CZ ARG A 127 5.695 -8.532 -8.401 1.00 0.00 C ATOM 1880 NH1 ARG A 127 6.047 -9.269 -7.354 1.00 0.00 N ATOM 1881 NH2 ARG A 127 6.233 -8.777 -9.587 1.00 0.00 N ATOM 0 H ARG A 127 2.822 -2.847 -6.143 1.00 0.00 H new ATOM 0 HA ARG A 127 3.507 -5.123 -4.489 1.00 0.00 H new ATOM 0 HB2 ARG A 127 4.485 -3.926 -7.091 1.00 0.00 H new ATOM 0 HB3 ARG A 127 5.408 -5.182 -6.288 1.00 0.00 H new ATOM 0 HG2 ARG A 127 2.557 -5.862 -6.522 1.00 0.00 H new ATOM 0 HG3 ARG A 127 3.305 -5.561 -8.078 1.00 0.00 H new ATOM 0 HD2 ARG A 127 4.899 -7.236 -6.196 1.00 0.00 H new ATOM 0 HD3 ARG A 127 3.405 -7.957 -6.762 1.00 0.00 H new ATOM 0 HE ARG A 127 4.560 -7.007 -9.091 1.00 0.00 H new ATOM 0 HH11 ARG A 127 5.636 -9.085 -6.439 1.00 0.00 H new ATOM 0 HH12 ARG A 127 6.729 -10.020 -7.465 1.00 0.00 H new ATOM 0 HH21 ARG A 127 5.966 -8.214 -10.394 1.00 0.00 H new ATOM 0 HH22 ARG A 127 6.914 -9.529 -9.692 1.00 0.00 H new ATOM 1895 N PRO A 128 5.723 -4.456 -3.414 1.00 0.00 N ATOM 1896 CA PRO A 128 6.849 -3.974 -2.604 1.00 0.00 C ATOM 1897 C PRO A 128 7.976 -3.412 -3.463 1.00 0.00 C ATOM 1898 O PRO A 128 8.520 -2.346 -3.172 1.00 0.00 O ATOM 1899 CB PRO A 128 7.323 -5.224 -1.856 1.00 0.00 C ATOM 1900 CG PRO A 128 6.163 -6.159 -1.885 1.00 0.00 C ATOM 1901 CD PRO A 128 5.443 -5.883 -3.173 1.00 0.00 C ATOM 0 HA PRO A 128 6.552 -3.158 -1.945 1.00 0.00 H new ATOM 0 HB2 PRO A 128 8.196 -5.664 -2.338 1.00 0.00 H new ATOM 0 HB3 PRO A 128 7.611 -4.985 -0.832 1.00 0.00 H new ATOM 0 HG2 PRO A 128 6.496 -7.196 -1.838 1.00 0.00 H new ATOM 0 HG3 PRO A 128 5.508 -5.996 -1.029 1.00 0.00 H new ATOM 0 HD2 PRO A 128 5.814 -6.509 -3.984 1.00 0.00 H new ATOM 0 HD3 PRO A 128 4.374 -6.075 -3.086 1.00 0.00 H new ATOM 1909 N SER A 129 8.326 -4.139 -4.519 1.00 0.00 N ATOM 1910 CA SER A 129 9.391 -3.717 -5.422 1.00 0.00 C ATOM 1911 C SER A 129 9.045 -2.395 -6.103 1.00 0.00 C ATOM 1912 O SER A 129 9.934 -1.657 -6.529 1.00 0.00 O ATOM 1913 CB SER A 129 9.651 -4.796 -6.475 1.00 0.00 C ATOM 1914 OG SER A 129 10.723 -5.638 -6.090 1.00 0.00 O ATOM 0 H SER A 129 7.887 -5.025 -4.771 1.00 0.00 H new ATOM 0 HA SER A 129 10.294 -3.569 -4.830 1.00 0.00 H new ATOM 0 HB2 SER A 129 8.750 -5.392 -6.619 1.00 0.00 H new ATOM 0 HB3 SER A 129 9.879 -4.327 -7.432 1.00 0.00 H new ATOM 0 HG SER A 129 10.867 -6.320 -6.779 1.00 0.00 H new ATOM 1920 N LYS A 130 7.753 -2.102 -6.205 1.00 0.00 N ATOM 1921 CA LYS A 130 7.298 -0.868 -6.836 1.00 0.00 C ATOM 1922 C LYS A 130 7.572 0.335 -5.938 1.00 0.00 C ATOM 1923 O LYS A 130 7.716 1.460 -6.417 1.00 0.00 O ATOM 1924 CB LYS A 130 5.805 -0.952 -7.157 1.00 0.00 C ATOM 1925 CG LYS A 130 5.514 -1.391 -8.585 1.00 0.00 C ATOM 1926 CD LYS A 130 5.192 -0.203 -9.479 1.00 0.00 C ATOM 1927 CE LYS A 130 5.932 -0.286 -10.805 1.00 0.00 C ATOM 1928 NZ LYS A 130 7.337 0.195 -10.688 1.00 0.00 N ATOM 0 H LYS A 130 7.003 -2.701 -5.859 1.00 0.00 H new ATOM 0 HA LYS A 130 7.853 -0.739 -7.765 1.00 0.00 H new ATOM 0 HB2 LYS A 130 5.332 -1.651 -6.467 1.00 0.00 H new ATOM 0 HB3 LYS A 130 5.349 0.023 -6.985 1.00 0.00 H new ATOM 0 HG2 LYS A 130 6.375 -1.926 -8.985 1.00 0.00 H new ATOM 0 HG3 LYS A 130 4.676 -2.088 -8.589 1.00 0.00 H new ATOM 0 HD2 LYS A 130 4.118 -0.165 -9.662 1.00 0.00 H new ATOM 0 HD3 LYS A 130 5.461 0.722 -8.968 1.00 0.00 H new ATOM 0 HE2 LYS A 130 5.930 -1.317 -11.158 1.00 0.00 H new ATOM 0 HE3 LYS A 130 5.406 0.308 -11.552 1.00 0.00 H new ATOM 0 HZ1 LYS A 130 7.807 0.122 -11.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 130 7.339 1.187 -10.375 1.00 0.00 H new ATOM 0 HZ3 LYS A 130 7.847 -0.388 -9.994 1.00 0.00 H new ATOM 1942 N LEU A 131 7.643 0.091 -4.633 1.00 0.00 N ATOM 1943 CA LEU A 131 7.900 1.154 -3.669 1.00 0.00 C ATOM 1944 C LEU A 131 9.351 1.619 -3.748 1.00 0.00 C ATOM 1945 O LEU A 131 10.213 0.911 -4.268 1.00 0.00 O ATOM 1946 CB LEU A 131 7.583 0.673 -2.251 1.00 0.00 C ATOM 1947 CG LEU A 131 6.345 -0.218 -2.128 1.00 0.00 C ATOM 1948 CD1 LEU A 131 6.046 -0.519 -0.668 1.00 0.00 C ATOM 1949 CD2 LEU A 131 5.145 0.440 -2.794 1.00 0.00 C ATOM 0 H LEU A 131 7.526 -0.834 -4.219 1.00 0.00 H new ATOM 0 HA LEU A 131 7.253 1.996 -3.912 1.00 0.00 H new ATOM 0 HB2 LEU A 131 8.445 0.126 -1.869 1.00 0.00 H new ATOM 0 HB3 LEU A 131 7.449 1.544 -1.610 1.00 0.00 H new ATOM 0 HG LEU A 131 6.548 -1.160 -2.638 1.00 0.00 H new ATOM 0 HD11 LEU A 131 5.162 -1.154 -0.601 1.00 0.00 H new ATOM 0 HD12 LEU A 131 6.897 -1.033 -0.221 1.00 0.00 H new ATOM 0 HD13 LEU A 131 5.864 0.414 -0.134 1.00 0.00 H new ATOM 0 HD21 LEU A 131 4.274 -0.208 -2.697 1.00 0.00 H new ATOM 0 HD22 LEU A 131 4.941 1.397 -2.313 1.00 0.00 H new ATOM 0 HD23 LEU A 131 5.359 0.603 -3.850 1.00 0.00 H new ATOM 1961 N THR A 132 9.614 2.814 -3.230 1.00 0.00 N ATOM 1962 CA THR A 132 10.960 3.373 -3.242 1.00 0.00 C ATOM 1963 C THR A 132 11.150 4.361 -2.095 1.00 0.00 C ATOM 1964 O THR A 132 10.180 4.822 -1.494 1.00 0.00 O ATOM 1965 CB THR A 132 11.234 4.067 -4.578 1.00 0.00 C ATOM 1966 OG1 THR A 132 10.051 4.656 -5.089 1.00 0.00 O ATOM 1967 CG2 THR A 132 11.776 3.133 -5.638 1.00 0.00 C ATOM 0 H THR A 132 8.912 3.414 -2.797 1.00 0.00 H new ATOM 0 HA THR A 132 11.668 2.554 -3.113 1.00 0.00 H new ATOM 0 HB THR A 132 11.990 4.822 -4.361 1.00 0.00 H new ATOM 0 HG1 THR A 132 10.086 4.664 -6.068 1.00 0.00 H new ATOM 0 HG21 THR A 132 11.948 3.689 -6.560 1.00 0.00 H new ATOM 0 HG22 THR A 132 12.715 2.699 -5.295 1.00 0.00 H new ATOM 0 HG23 THR A 132 11.055 2.337 -5.824 1.00 0.00 H new ATOM 1975 N ARG A 133 12.405 4.680 -1.796 1.00 0.00 N ATOM 1976 CA ARG A 133 12.720 5.612 -0.721 1.00 0.00 C ATOM 1977 C ARG A 133 13.015 7.002 -1.273 1.00 0.00 C ATOM 1978 O ARG A 133 13.832 7.160 -2.180 1.00 0.00 O ATOM 1979 CB ARG A 133 13.917 5.107 0.088 1.00 0.00 C ATOM 1980 CG ARG A 133 13.559 4.027 1.095 1.00 0.00 C ATOM 1981 CD ARG A 133 14.594 3.927 2.204 1.00 0.00 C ATOM 1982 NE ARG A 133 14.615 5.121 3.046 1.00 0.00 N ATOM 1983 CZ ARG A 133 15.438 6.153 2.861 1.00 0.00 C ATOM 1984 NH1 ARG A 133 16.307 6.153 1.857 1.00 0.00 N ATOM 1985 NH2 ARG A 133 15.388 7.192 3.684 1.00 0.00 N ATOM 0 H ARG A 133 13.220 4.307 -2.283 1.00 0.00 H new ATOM 0 HA ARG A 133 11.850 5.678 -0.067 1.00 0.00 H new ATOM 0 HB2 ARG A 133 14.670 4.718 -0.597 1.00 0.00 H new ATOM 0 HB3 ARG A 133 14.369 5.947 0.615 1.00 0.00 H new ATOM 0 HG2 ARG A 133 12.582 4.242 1.527 1.00 0.00 H new ATOM 0 HG3 ARG A 133 13.478 3.067 0.585 1.00 0.00 H new ATOM 0 HD2 ARG A 133 14.381 3.053 2.820 1.00 0.00 H new ATOM 0 HD3 ARG A 133 15.581 3.776 1.766 1.00 0.00 H new ATOM 0 HE ARG A 133 13.958 5.168 3.825 1.00 0.00 H new ATOM 0 HH11 ARG A 133 16.349 5.358 1.219 1.00 0.00 H new ATOM 0 HH12 ARG A 133 16.933 6.948 1.724 1.00 0.00 H new ATOM 0 HH21 ARG A 133 14.721 7.200 4.456 1.00 0.00 H new ATOM 0 HH22 ARG A 133 16.016 7.983 3.545 1.00 0.00 H new ATOM 1999 N LYS A 134 12.344 8.006 -0.718 1.00 0.00 N ATOM 2000 CA LYS A 134 12.533 9.386 -1.153 1.00 0.00 C ATOM 2001 C LYS A 134 12.167 9.550 -2.624 1.00 0.00 C ATOM 2002 O LYS A 134 12.190 8.588 -3.392 1.00 0.00 O ATOM 2003 CB LYS A 134 13.981 9.822 -0.925 1.00 0.00 C ATOM 2004 CG LYS A 134 14.332 10.023 0.541 1.00 0.00 C ATOM 2005 CD LYS A 134 13.893 11.392 1.037 1.00 0.00 C ATOM 2006 CE LYS A 134 15.058 12.366 1.088 1.00 0.00 C ATOM 2007 NZ LYS A 134 15.128 13.216 -0.132 1.00 0.00 N ATOM 0 H LYS A 134 11.664 7.890 0.034 1.00 0.00 H new ATOM 0 HA LYS A 134 11.872 10.019 -0.561 1.00 0.00 H new ATOM 0 HB2 LYS A 134 14.649 9.073 -1.351 1.00 0.00 H new ATOM 0 HB3 LYS A 134 14.161 10.752 -1.464 1.00 0.00 H new ATOM 0 HG2 LYS A 134 13.855 9.248 1.140 1.00 0.00 H new ATOM 0 HG3 LYS A 134 15.408 9.914 0.677 1.00 0.00 H new ATOM 0 HD2 LYS A 134 13.117 11.786 0.381 1.00 0.00 H new ATOM 0 HD3 LYS A 134 13.453 11.297 2.030 1.00 0.00 H new ATOM 0 HE2 LYS A 134 14.961 13.002 1.968 1.00 0.00 H new ATOM 0 HE3 LYS A 134 15.990 11.811 1.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 134 15.936 13.866 -0.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 134 15.247 12.612 -0.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 134 14.250 13.765 -0.223 1.00 0.00 H new