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 Set 1.1: A 74 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Set 1.2: A 130 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 77 LYS NZ :NH3+ 166:sc= -0.906 (180deg=-1.04) USER MOD Set 2.2: A 105 LYS NZ :NH3+ 180:sc=-0.000323 (180deg=0) USER MOD Single : A 76 ASN :FLIP amide:sc= -0.266! F(o=-2.4,f=-0.27!) USER MOD Single : A 82 GLN : amide:sc= -0.244 X(o=-0.24,f=-0.44) USER MOD Single : A 87 THR OG1 : rot -20:sc= 0.663 USER MOD Single : A 88 GLN : amide:sc= -0.037 X(o=-0.037,f=0) USER MOD Single : A 93 GLN : amide:sc= -1.69 K(o=-1.7,f=-7.7!) USER MOD Single : A 106 ASN : amide:sc= -0.137 K(o=-0.14,f=-0.71) USER MOD Single : A 109 SER OG : rot 21:sc= 0.241! USER MOD Single : A 115 TYR OH : rot -136:sc= 0.0989 USER MOD Single : A 117 GLN : amide:sc= -0.435 X(o=-0.43,f=-0.13) USER MOD Single : A 118 CYS SG : rot -129:sc= 0.736 USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 126 THR OG1 : rot 180:sc= -0.419 USER MOD Single : A 129 SER OG : rot 180:sc= 0 USER MOD Single : A 132 THR OG1 : rot 150:sc= -0.936 USER MOD Single : A 134 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 915 N PHE A 65 9.850 -5.305 2.854 1.00 0.00 N ATOM 916 CA PHE A 65 9.743 -4.069 3.622 1.00 0.00 C ATOM 917 C PHE A 65 9.230 -4.347 5.031 1.00 0.00 C ATOM 918 O PHE A 65 8.935 -5.490 5.381 1.00 0.00 O ATOM 919 CB PHE A 65 8.810 -3.084 2.914 1.00 0.00 C ATOM 920 CG PHE A 65 9.425 -2.441 1.704 1.00 0.00 C ATOM 921 CD1 PHE A 65 9.557 -3.147 0.519 1.00 0.00 C ATOM 922 CD2 PHE A 65 9.869 -1.129 1.752 1.00 0.00 C ATOM 923 CE1 PHE A 65 10.122 -2.557 -0.596 1.00 0.00 C ATOM 924 CE2 PHE A 65 10.435 -0.534 0.640 1.00 0.00 C ATOM 925 CZ PHE A 65 10.561 -1.249 -0.536 1.00 0.00 C ATOM 0 HA PHE A 65 10.738 -3.629 3.696 1.00 0.00 H new ATOM 0 HB2 PHE A 65 7.901 -3.607 2.616 1.00 0.00 H new ATOM 0 HB3 PHE A 65 8.514 -2.306 3.618 1.00 0.00 H new ATOM 0 HD1 PHE A 65 9.215 -4.170 0.466 1.00 0.00 H new ATOM 0 HD2 PHE A 65 9.772 -0.565 2.668 1.00 0.00 H new ATOM 0 HE1 PHE A 65 10.220 -3.118 -1.513 1.00 0.00 H new ATOM 0 HE2 PHE A 65 10.778 0.489 0.690 1.00 0.00 H new ATOM 0 HZ PHE A 65 11.002 -0.786 -1.406 1.00 0.00 H new ATOM 935 N ARG A 66 9.127 -3.295 5.837 1.00 0.00 N ATOM 936 CA ARG A 66 8.650 -3.425 7.209 1.00 0.00 C ATOM 937 C ARG A 66 7.457 -2.509 7.459 1.00 0.00 C ATOM 938 O ARG A 66 7.183 -1.600 6.674 1.00 0.00 O ATOM 939 CB ARG A 66 9.773 -3.100 8.195 1.00 0.00 C ATOM 940 CG ARG A 66 9.609 -3.774 9.548 1.00 0.00 C ATOM 941 CD ARG A 66 9.040 -2.817 10.585 1.00 0.00 C ATOM 942 NE ARG A 66 10.020 -2.478 11.614 1.00 0.00 N ATOM 943 CZ ARG A 66 9.749 -1.722 12.675 1.00 0.00 C ATOM 944 NH1 ARG A 66 8.532 -1.222 12.850 1.00 0.00 N ATOM 945 NH2 ARG A 66 10.700 -1.462 13.563 1.00 0.00 N ATOM 0 H ARG A 66 9.368 -2.342 5.563 1.00 0.00 H new ATOM 0 HA ARG A 66 8.331 -4.456 7.360 1.00 0.00 H new ATOM 0 HB2 ARG A 66 10.726 -3.403 7.761 1.00 0.00 H new ATOM 0 HB3 ARG A 66 9.817 -2.020 8.339 1.00 0.00 H new ATOM 0 HG2 ARG A 66 8.950 -4.637 9.448 1.00 0.00 H new ATOM 0 HG3 ARG A 66 10.575 -4.148 9.888 1.00 0.00 H new ATOM 0 HD2 ARG A 66 8.703 -1.906 10.091 1.00 0.00 H new ATOM 0 HD3 ARG A 66 8.165 -3.268 11.053 1.00 0.00 H new ATOM 0 HE ARG A 66 10.967 -2.842 11.513 1.00 0.00 H new ATOM 0 HH11 ARG A 66 7.798 -1.417 12.169 1.00 0.00 H new ATOM 0 HH12 ARG A 66 8.331 -0.643 13.665 1.00 0.00 H new ATOM 0 HH21 ARG A 66 11.638 -1.841 13.432 1.00 0.00 H new ATOM 0 HH22 ARG A 66 10.493 -0.883 14.377 1.00 0.00 H new ATOM 959 N VAL A 67 6.750 -2.752 8.559 1.00 0.00 N ATOM 960 CA VAL A 67 5.587 -1.948 8.913 1.00 0.00 C ATOM 961 C VAL A 67 5.986 -0.753 9.772 1.00 0.00 C ATOM 962 O VAL A 67 6.595 -0.911 10.830 1.00 0.00 O ATOM 963 CB VAL A 67 4.537 -2.782 9.671 1.00 0.00 C ATOM 964 CG1 VAL A 67 3.254 -1.986 9.855 1.00 0.00 C ATOM 965 CG2 VAL A 67 4.265 -4.087 8.941 1.00 0.00 C ATOM 0 H VAL A 67 6.963 -3.499 9.220 1.00 0.00 H new ATOM 0 HA VAL A 67 5.152 -1.592 7.979 1.00 0.00 H new ATOM 0 HB VAL A 67 4.932 -3.021 10.658 1.00 0.00 H new ATOM 0 HG11 VAL A 67 2.524 -2.591 10.392 1.00 0.00 H new ATOM 0 HG12 VAL A 67 3.466 -1.082 10.425 1.00 0.00 H new ATOM 0 HG13 VAL A 67 2.852 -1.714 8.879 1.00 0.00 H new ATOM 0 HG21 VAL A 67 3.521 -4.663 9.491 1.00 0.00 H new ATOM 0 HG22 VAL A 67 3.891 -3.873 7.940 1.00 0.00 H new ATOM 0 HG23 VAL A 67 5.188 -4.662 8.868 1.00 0.00 H new ATOM 975 N GLY A 68 5.640 0.444 9.309 1.00 0.00 N ATOM 976 CA GLY A 68 5.971 1.649 10.047 1.00 0.00 C ATOM 977 C GLY A 68 7.126 2.410 9.426 1.00 0.00 C ATOM 978 O GLY A 68 7.917 3.033 10.133 1.00 0.00 O ATOM 0 H GLY A 68 5.136 0.601 8.436 1.00 0.00 H new ATOM 0 HA2 GLY A 68 5.095 2.296 10.091 1.00 0.00 H new ATOM 0 HA3 GLY A 68 6.224 1.385 11.074 1.00 0.00 H new ATOM 982 N GLU A 69 7.222 2.359 8.102 1.00 0.00 N ATOM 983 CA GLU A 69 8.288 3.049 7.386 1.00 0.00 C ATOM 984 C GLU A 69 7.722 3.904 6.257 1.00 0.00 C ATOM 985 O GLU A 69 6.615 3.660 5.775 1.00 0.00 O ATOM 986 CB GLU A 69 9.289 2.039 6.821 1.00 0.00 C ATOM 987 CG GLU A 69 9.855 1.093 7.868 1.00 0.00 C ATOM 988 CD GLU A 69 11.269 0.649 7.549 1.00 0.00 C ATOM 989 OE1 GLU A 69 11.960 1.366 6.796 1.00 0.00 O ATOM 990 OE2 GLU A 69 11.684 -0.418 8.050 1.00 0.00 O ATOM 0 H GLU A 69 6.574 1.847 7.503 1.00 0.00 H new ATOM 0 HA GLU A 69 8.800 3.703 8.092 1.00 0.00 H new ATOM 0 HB2 GLU A 69 8.802 1.454 6.041 1.00 0.00 H new ATOM 0 HB3 GLU A 69 10.110 2.579 6.349 1.00 0.00 H new ATOM 0 HG2 GLU A 69 9.843 1.585 8.841 1.00 0.00 H new ATOM 0 HG3 GLU A 69 9.212 0.216 7.946 1.00 0.00 H new ATOM 997 N ARG A 70 8.488 4.906 5.839 1.00 0.00 N ATOM 998 CA ARG A 70 8.063 5.797 4.766 1.00 0.00 C ATOM 999 C ARG A 70 8.446 5.229 3.404 1.00 0.00 C ATOM 1000 O ARG A 70 9.574 4.780 3.202 1.00 0.00 O ATOM 1001 CB ARG A 70 8.686 7.183 4.948 1.00 0.00 C ATOM 1002 CG ARG A 70 7.847 8.309 4.366 1.00 0.00 C ATOM 1003 CD ARG A 70 7.178 9.130 5.457 1.00 0.00 C ATOM 1004 NE ARG A 70 7.080 10.542 5.098 1.00 0.00 N ATOM 1005 CZ ARG A 70 6.875 11.518 5.979 1.00 0.00 C ATOM 1006 NH1 ARG A 70 6.744 11.240 7.271 1.00 0.00 N ATOM 1007 NH2 ARG A 70 6.799 12.777 5.568 1.00 0.00 N ATOM 0 H ARG A 70 9.406 5.121 6.227 1.00 0.00 H new ATOM 0 HA ARG A 70 6.978 5.886 4.810 1.00 0.00 H new ATOM 0 HB2 ARG A 70 8.838 7.367 6.012 1.00 0.00 H new ATOM 0 HB3 ARG A 70 9.670 7.194 4.479 1.00 0.00 H new ATOM 0 HG2 ARG A 70 8.478 8.957 3.758 1.00 0.00 H new ATOM 0 HG3 ARG A 70 7.087 7.893 3.705 1.00 0.00 H new ATOM 0 HD2 ARG A 70 6.180 8.735 5.648 1.00 0.00 H new ATOM 0 HD3 ARG A 70 7.743 9.030 6.384 1.00 0.00 H new ATOM 0 HE ARG A 70 7.174 10.795 4.114 1.00 0.00 H new ATOM 0 HH11 ARG A 70 6.800 10.274 7.593 1.00 0.00 H new ATOM 0 HH12 ARG A 70 6.587 11.993 7.941 1.00 0.00 H new ATOM 0 HH21 ARG A 70 6.898 12.997 4.577 1.00 0.00 H new ATOM 0 HH22 ARG A 70 6.642 13.525 6.243 1.00 0.00 H new ATOM 1021 N VAL A 71 7.499 5.253 2.471 1.00 0.00 N ATOM 1022 CA VAL A 71 7.737 4.740 1.128 1.00 0.00 C ATOM 1023 C VAL A 71 7.029 5.594 0.082 1.00 0.00 C ATOM 1024 O VAL A 71 5.986 6.188 0.353 1.00 0.00 O ATOM 1025 CB VAL A 71 7.263 3.281 0.990 1.00 0.00 C ATOM 1026 CG1 VAL A 71 8.129 2.355 1.829 1.00 0.00 C ATOM 1027 CG2 VAL A 71 5.799 3.157 1.386 1.00 0.00 C ATOM 0 H VAL A 71 6.560 5.622 2.621 1.00 0.00 H new ATOM 0 HA VAL A 71 8.813 4.780 0.960 1.00 0.00 H new ATOM 0 HB VAL A 71 7.361 2.984 -0.054 1.00 0.00 H new ATOM 0 HG11 VAL A 71 7.778 1.329 1.718 1.00 0.00 H new ATOM 0 HG12 VAL A 71 9.164 2.423 1.494 1.00 0.00 H new ATOM 0 HG13 VAL A 71 8.066 2.649 2.877 1.00 0.00 H new ATOM 0 HG21 VAL A 71 5.481 2.120 1.282 1.00 0.00 H new ATOM 0 HG22 VAL A 71 5.674 3.473 2.422 1.00 0.00 H new ATOM 0 HG23 VAL A 71 5.192 3.789 0.738 1.00 0.00 H new ATOM 1037 N TRP A 72 7.604 5.651 -1.116 1.00 0.00 N ATOM 1038 CA TRP A 72 7.028 6.434 -2.203 1.00 0.00 C ATOM 1039 C TRP A 72 6.415 5.525 -3.264 1.00 0.00 C ATOM 1040 O TRP A 72 7.131 4.863 -4.016 1.00 0.00 O ATOM 1041 CB TRP A 72 8.096 7.327 -2.837 1.00 0.00 C ATOM 1042 CG TRP A 72 8.239 8.655 -2.159 1.00 0.00 C ATOM 1043 CD1 TRP A 72 7.885 9.874 -2.660 1.00 0.00 C ATOM 1044 CD2 TRP A 72 8.778 8.897 -0.854 1.00 0.00 C ATOM 1045 NE1 TRP A 72 8.170 10.860 -1.746 1.00 0.00 N ATOM 1046 CE2 TRP A 72 8.718 10.286 -0.630 1.00 0.00 C ATOM 1047 CE3 TRP A 72 9.302 8.074 0.147 1.00 0.00 C ATOM 1048 CZ2 TRP A 72 9.164 10.868 0.555 1.00 0.00 C ATOM 1049 CZ3 TRP A 72 9.745 8.654 1.322 1.00 0.00 C ATOM 1050 CH2 TRP A 72 9.673 10.039 1.517 1.00 0.00 C ATOM 0 H TRP A 72 8.467 5.165 -1.358 1.00 0.00 H new ATOM 0 HA TRP A 72 6.239 7.061 -1.787 1.00 0.00 H new ATOM 0 HB2 TRP A 72 9.055 6.809 -2.811 1.00 0.00 H new ATOM 0 HB3 TRP A 72 7.849 7.488 -3.886 1.00 0.00 H new ATOM 0 HD1 TRP A 72 7.445 10.040 -3.632 1.00 0.00 H new ATOM 0 HE1 TRP A 72 8.001 11.857 -1.878 1.00 0.00 H new ATOM 0 HE3 TRP A 72 9.360 7.005 0.006 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 9.110 11.936 0.709 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 10.153 8.028 2.102 1.00 0.00 H new ATOM 0 HH2 TRP A 72 10.027 10.461 2.446 1.00 0.00 H new ATOM 1061 N VAL A 73 5.087 5.500 -3.320 1.00 0.00 N ATOM 1062 CA VAL A 73 4.382 4.674 -4.292 1.00 0.00 C ATOM 1063 C VAL A 73 4.645 5.159 -5.713 1.00 0.00 C ATOM 1064 O VAL A 73 4.436 6.331 -6.028 1.00 0.00 O ATOM 1065 CB VAL A 73 2.863 4.673 -4.033 1.00 0.00 C ATOM 1066 CG1 VAL A 73 2.170 3.650 -4.920 1.00 0.00 C ATOM 1067 CG2 VAL A 73 2.572 4.401 -2.565 1.00 0.00 C ATOM 0 H VAL A 73 4.479 6.041 -2.705 1.00 0.00 H new ATOM 0 HA VAL A 73 4.761 3.658 -4.180 1.00 0.00 H new ATOM 0 HB VAL A 73 2.470 5.659 -4.281 1.00 0.00 H new ATOM 0 HG11 VAL A 73 1.098 3.664 -4.723 1.00 0.00 H new ATOM 0 HG12 VAL A 73 2.350 3.895 -5.967 1.00 0.00 H new ATOM 0 HG13 VAL A 73 2.565 2.657 -4.707 1.00 0.00 H new ATOM 0 HG21 VAL A 73 1.494 4.404 -2.401 1.00 0.00 H new ATOM 0 HG22 VAL A 73 2.978 3.428 -2.288 1.00 0.00 H new ATOM 0 HG23 VAL A 73 3.034 5.175 -1.953 1.00 0.00 H new ATOM 1077 N ASN A 74 5.107 4.252 -6.566 1.00 0.00 N ATOM 1078 CA ASN A 74 5.401 4.590 -7.954 1.00 0.00 C ATOM 1079 C ASN A 74 6.501 5.646 -8.041 1.00 0.00 C ATOM 1080 O ASN A 74 6.644 6.323 -9.059 1.00 0.00 O ATOM 1081 CB ASN A 74 4.137 5.088 -8.659 1.00 0.00 C ATOM 1082 CG ASN A 74 3.586 4.075 -9.643 1.00 0.00 C ATOM 1083 OD1 ASN A 74 4.060 3.970 -10.774 1.00 0.00 O ATOM 1084 ND2 ASN A 74 2.578 3.323 -9.216 1.00 0.00 N ATOM 0 H ASN A 74 5.286 3.278 -6.321 1.00 0.00 H new ATOM 0 HA ASN A 74 5.754 3.688 -8.453 1.00 0.00 H new ATOM 0 HB2 ASN A 74 3.375 5.318 -7.914 1.00 0.00 H new ATOM 0 HB3 ASN A 74 4.359 6.017 -9.184 1.00 0.00 H new ATOM 0 HD21 ASN A 74 2.165 2.624 -9.834 1.00 0.00 H new ATOM 0 HD22 ASN A 74 2.216 3.444 -8.270 1.00 0.00 H new ATOM 1091 N GLY A 75 7.277 5.783 -6.968 1.00 0.00 N ATOM 1092 CA GLY A 75 8.352 6.758 -6.949 1.00 0.00 C ATOM 1093 C GLY A 75 7.846 8.187 -7.010 1.00 0.00 C ATOM 1094 O GLY A 75 8.481 9.050 -7.616 1.00 0.00 O ATOM 0 H GLY A 75 7.180 5.236 -6.113 1.00 0.00 H new ATOM 0 HA2 GLY A 75 8.943 6.624 -6.043 1.00 0.00 H new ATOM 0 HA3 GLY A 75 9.017 6.576 -7.793 1.00 0.00 H new ATOM 1098 N ASN A 76 6.702 8.439 -6.380 1.00 0.00 N ATOM 1099 CA ASN A 76 6.117 9.775 -6.367 1.00 0.00 C ATOM 1100 C ASN A 76 4.839 9.804 -5.532 1.00 0.00 C ATOM 1101 O ASN A 76 3.827 10.370 -5.946 1.00 0.00 O ATOM 1102 CB ASN A 76 5.819 10.239 -7.794 1.00 0.00 C ATOM 1103 CG ASN A 76 4.815 9.347 -8.496 1.00 0.00 C ATOM 1104 OD1 ASN A 76 5.300 8.505 -9.401 1.00 0.00 O flip ATOM 1105 ND2 ASN A 76 3.615 9.413 -8.228 1.00 0.00 N flip ATOM 0 H ASN A 76 6.163 7.737 -5.873 1.00 0.00 H new ATOM 0 HA ASN A 76 6.839 10.455 -5.915 1.00 0.00 H new ATOM 0 HB2 ASN A 76 5.438 11.260 -7.769 1.00 0.00 H new ATOM 0 HB3 ASN A 76 6.746 10.259 -8.367 1.00 0.00 H new ATOM 0 HD21 ASN A 76 3.285 10.075 -7.525 1.00 0.00 H new ATOM 0 HD22 ASN A 76 2.951 8.806 -8.709 1.00 0.00 H new ATOM 1112 N LYS A 77 4.892 9.193 -4.354 1.00 0.00 N ATOM 1113 CA LYS A 77 3.739 9.152 -3.462 1.00 0.00 C ATOM 1114 C LYS A 77 4.133 8.632 -2.081 1.00 0.00 C ATOM 1115 O LYS A 77 4.044 7.435 -1.811 1.00 0.00 O ATOM 1116 CB LYS A 77 2.640 8.270 -4.058 1.00 0.00 C ATOM 1117 CG LYS A 77 1.658 9.031 -4.934 1.00 0.00 C ATOM 1118 CD LYS A 77 0.238 8.520 -4.755 1.00 0.00 C ATOM 1119 CE LYS A 77 -0.723 9.198 -5.719 1.00 0.00 C ATOM 1120 NZ LYS A 77 -2.116 8.700 -5.556 1.00 0.00 N ATOM 0 H LYS A 77 5.721 8.719 -3.994 1.00 0.00 H new ATOM 0 HA LYS A 77 3.361 10.168 -3.351 1.00 0.00 H new ATOM 0 HB2 LYS A 77 3.101 7.477 -4.647 1.00 0.00 H new ATOM 0 HB3 LYS A 77 2.093 7.788 -3.248 1.00 0.00 H new ATOM 0 HG2 LYS A 77 1.697 10.092 -4.689 1.00 0.00 H new ATOM 0 HG3 LYS A 77 1.951 8.934 -5.979 1.00 0.00 H new ATOM 0 HD2 LYS A 77 0.215 7.442 -4.915 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -0.087 8.697 -3.730 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -0.701 10.275 -5.556 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -0.393 9.024 -6.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -2.773 9.338 -6.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -2.193 7.745 -5.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -2.357 8.669 -4.545 1.00 0.00 H new ATOM 1134 N PRO A 78 4.574 9.531 -1.183 1.00 0.00 N ATOM 1135 CA PRO A 78 4.981 9.155 0.175 1.00 0.00 C ATOM 1136 C PRO A 78 3.811 8.643 1.008 1.00 0.00 C ATOM 1137 O PRO A 78 2.660 9.008 0.769 1.00 0.00 O ATOM 1138 CB PRO A 78 5.526 10.459 0.765 1.00 0.00 C ATOM 1139 CG PRO A 78 4.884 11.539 -0.036 1.00 0.00 C ATOM 1140 CD PRO A 78 4.711 10.980 -1.420 1.00 0.00 C ATOM 0 HA PRO A 78 5.707 8.342 0.169 1.00 0.00 H new ATOM 0 HB2 PRO A 78 5.276 10.549 1.822 1.00 0.00 H new ATOM 0 HB3 PRO A 78 6.612 10.503 0.689 1.00 0.00 H new ATOM 0 HG2 PRO A 78 3.923 11.824 0.393 1.00 0.00 H new ATOM 0 HG3 PRO A 78 5.505 12.435 -0.052 1.00 0.00 H new ATOM 0 HD2 PRO A 78 3.831 11.392 -1.914 1.00 0.00 H new ATOM 0 HD3 PRO A 78 5.568 11.205 -2.055 1.00 0.00 H new ATOM 1148 N GLY A 79 4.113 7.796 1.986 1.00 0.00 N ATOM 1149 CA GLY A 79 3.076 7.249 2.840 1.00 0.00 C ATOM 1150 C GLY A 79 3.639 6.426 3.981 1.00 0.00 C ATOM 1151 O GLY A 79 4.765 6.654 4.423 1.00 0.00 O ATOM 0 H GLY A 79 5.058 7.479 2.202 1.00 0.00 H new ATOM 0 HA2 GLY A 79 2.476 8.064 3.245 1.00 0.00 H new ATOM 0 HA3 GLY A 79 2.408 6.628 2.243 1.00 0.00 H new ATOM 1155 N PHE A 80 2.855 5.466 4.459 1.00 0.00 N ATOM 1156 CA PHE A 80 3.282 4.605 5.556 1.00 0.00 C ATOM 1157 C PHE A 80 2.768 3.182 5.362 1.00 0.00 C ATOM 1158 O PHE A 80 1.580 2.968 5.122 1.00 0.00 O ATOM 1159 CB PHE A 80 2.787 5.162 6.891 1.00 0.00 C ATOM 1160 CG PHE A 80 3.366 6.505 7.233 1.00 0.00 C ATOM 1161 CD1 PHE A 80 4.606 6.604 7.844 1.00 0.00 C ATOM 1162 CD2 PHE A 80 2.670 7.669 6.945 1.00 0.00 C ATOM 1163 CE1 PHE A 80 5.142 7.839 8.160 1.00 0.00 C ATOM 1164 CE2 PHE A 80 3.201 8.906 7.258 1.00 0.00 C ATOM 1165 CZ PHE A 80 4.439 8.991 7.867 1.00 0.00 C ATOM 0 H PHE A 80 1.920 5.264 4.104 1.00 0.00 H new ATOM 0 HA PHE A 80 4.372 4.580 5.563 1.00 0.00 H new ATOM 0 HB2 PHE A 80 1.700 5.241 6.862 1.00 0.00 H new ATOM 0 HB3 PHE A 80 3.034 4.456 7.684 1.00 0.00 H new ATOM 0 HD1 PHE A 80 5.160 5.706 8.076 1.00 0.00 H new ATOM 0 HD2 PHE A 80 1.702 7.608 6.471 1.00 0.00 H new ATOM 0 HE1 PHE A 80 6.110 7.903 8.636 1.00 0.00 H new ATOM 0 HE2 PHE A 80 2.649 9.805 7.027 1.00 0.00 H new ATOM 0 HZ PHE A 80 4.856 9.956 8.113 1.00 0.00 H new ATOM 1175 N ILE A 81 3.672 2.213 5.471 1.00 0.00 N ATOM 1176 CA ILE A 81 3.310 0.810 5.307 1.00 0.00 C ATOM 1177 C ILE A 81 2.489 0.313 6.493 1.00 0.00 C ATOM 1178 O ILE A 81 2.646 0.796 7.615 1.00 0.00 O ATOM 1179 CB ILE A 81 4.560 -0.079 5.153 1.00 0.00 C ATOM 1180 CG1 ILE A 81 5.483 0.481 4.069 1.00 0.00 C ATOM 1181 CG2 ILE A 81 4.156 -1.510 4.825 1.00 0.00 C ATOM 1182 CD1 ILE A 81 6.933 0.087 4.247 1.00 0.00 C ATOM 0 H ILE A 81 4.659 2.374 5.672 1.00 0.00 H new ATOM 0 HA ILE A 81 2.711 0.741 4.399 1.00 0.00 H new ATOM 0 HB ILE A 81 5.102 -0.082 6.098 1.00 0.00 H new ATOM 0 HG12 ILE A 81 5.138 0.135 3.095 1.00 0.00 H new ATOM 0 HG13 ILE A 81 5.408 1.568 4.066 1.00 0.00 H new ATOM 0 HG21 ILE A 81 5.050 -2.125 4.719 1.00 0.00 H new ATOM 0 HG22 ILE A 81 3.536 -1.906 5.629 1.00 0.00 H new ATOM 0 HG23 ILE A 81 3.593 -1.524 3.892 1.00 0.00 H new ATOM 0 HD11 ILE A 81 7.529 0.519 3.443 1.00 0.00 H new ATOM 0 HD12 ILE A 81 7.295 0.457 5.206 1.00 0.00 H new ATOM 0 HD13 ILE A 81 7.021 -0.999 4.220 1.00 0.00 H new ATOM 1194 N GLN A 82 1.614 -0.654 6.237 1.00 0.00 N ATOM 1195 CA GLN A 82 0.769 -1.216 7.285 1.00 0.00 C ATOM 1196 C GLN A 82 0.614 -2.723 7.107 1.00 0.00 C ATOM 1197 O GLN A 82 0.809 -3.492 8.049 1.00 0.00 O ATOM 1198 CB GLN A 82 -0.607 -0.545 7.273 1.00 0.00 C ATOM 1199 CG GLN A 82 -0.543 0.972 7.327 1.00 0.00 C ATOM 1200 CD GLN A 82 -0.181 1.493 8.704 1.00 0.00 C ATOM 1201 OE1 GLN A 82 -0.701 1.021 9.715 1.00 0.00 O ATOM 1202 NE2 GLN A 82 0.715 2.471 8.749 1.00 0.00 N ATOM 0 H GLN A 82 1.471 -1.064 5.314 1.00 0.00 H new ATOM 0 HA GLN A 82 1.249 -1.029 8.246 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -1.141 -0.846 6.372 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -1.186 -0.907 8.123 1.00 0.00 H new ATOM 0 HG2 GLN A 82 0.192 1.327 6.604 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -1.508 1.383 7.029 1.00 0.00 H new ATOM 0 HE21 GLN A 82 1.120 2.832 7.885 1.00 0.00 H new ATOM 0 HE22 GLN A 82 0.999 2.862 9.647 1.00 0.00 H new ATOM 1211 N PHE A 83 0.262 -3.139 5.895 1.00 0.00 N ATOM 1212 CA PHE A 83 0.082 -4.554 5.595 1.00 0.00 C ATOM 1213 C PHE A 83 1.262 -5.096 4.795 1.00 0.00 C ATOM 1214 O PHE A 83 1.832 -4.395 3.959 1.00 0.00 O ATOM 1215 CB PHE A 83 -1.218 -4.771 4.817 1.00 0.00 C ATOM 1216 CG PHE A 83 -1.513 -6.215 4.531 1.00 0.00 C ATOM 1217 CD1 PHE A 83 -1.972 -7.054 5.534 1.00 0.00 C ATOM 1218 CD2 PHE A 83 -1.330 -6.735 3.260 1.00 0.00 C ATOM 1219 CE1 PHE A 83 -2.243 -8.384 5.274 1.00 0.00 C ATOM 1220 CE2 PHE A 83 -1.600 -8.064 2.993 1.00 0.00 C ATOM 1221 CZ PHE A 83 -2.058 -8.890 4.002 1.00 0.00 C ATOM 0 H PHE A 83 0.096 -2.516 5.105 1.00 0.00 H new ATOM 0 HA PHE A 83 0.027 -5.095 6.540 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -2.046 -4.345 5.383 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -1.163 -4.226 3.874 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -2.120 -6.664 6.530 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -0.972 -6.094 2.468 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -2.599 -9.027 6.065 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -1.453 -8.456 1.998 1.00 0.00 H new ATOM 0 HZ PHE A 83 -2.271 -9.929 3.796 1.00 0.00 H new ATOM 1231 N LEU A 84 1.624 -6.347 5.058 1.00 0.00 N ATOM 1232 CA LEU A 84 2.738 -6.983 4.362 1.00 0.00 C ATOM 1233 C LEU A 84 2.503 -8.483 4.216 1.00 0.00 C ATOM 1234 O LEU A 84 2.383 -9.202 5.208 1.00 0.00 O ATOM 1235 CB LEU A 84 4.045 -6.731 5.114 1.00 0.00 C ATOM 1236 CG LEU A 84 4.764 -5.432 4.747 1.00 0.00 C ATOM 1237 CD1 LEU A 84 5.721 -5.021 5.855 1.00 0.00 C ATOM 1238 CD2 LEU A 84 5.508 -5.589 3.430 1.00 0.00 C ATOM 0 H LEU A 84 1.163 -6.941 5.747 1.00 0.00 H new ATOM 0 HA LEU A 84 2.809 -6.546 3.366 1.00 0.00 H new ATOM 0 HB2 LEU A 84 3.835 -6.722 6.184 1.00 0.00 H new ATOM 0 HB3 LEU A 84 4.720 -7.567 4.929 1.00 0.00 H new ATOM 0 HG LEU A 84 4.018 -4.647 4.629 1.00 0.00 H new ATOM 0 HD11 LEU A 84 6.224 -4.095 5.577 1.00 0.00 H new ATOM 0 HD12 LEU A 84 5.164 -4.868 6.779 1.00 0.00 H new ATOM 0 HD13 LEU A 84 6.463 -5.806 6.005 1.00 0.00 H new ATOM 0 HD21 LEU A 84 6.014 -4.655 3.184 1.00 0.00 H new ATOM 0 HD22 LEU A 84 6.244 -6.387 3.521 1.00 0.00 H new ATOM 0 HD23 LEU A 84 4.800 -5.837 2.639 1.00 0.00 H new ATOM 1250 N GLY A 85 2.437 -8.948 2.973 1.00 0.00 N ATOM 1251 CA GLY A 85 2.217 -10.359 2.719 1.00 0.00 C ATOM 1252 C GLY A 85 1.396 -10.604 1.469 1.00 0.00 C ATOM 1253 O GLY A 85 1.371 -9.772 0.562 1.00 0.00 O ATOM 0 H GLY A 85 2.532 -8.372 2.137 1.00 0.00 H new ATOM 0 HA2 GLY A 85 3.179 -10.861 2.622 1.00 0.00 H new ATOM 0 HA3 GLY A 85 1.710 -10.804 3.575 1.00 0.00 H new ATOM 1257 N GLU A 86 0.723 -11.749 1.419 1.00 0.00 N ATOM 1258 CA GLU A 86 -0.102 -12.101 0.270 1.00 0.00 C ATOM 1259 C GLU A 86 -1.559 -11.714 0.504 1.00 0.00 C ATOM 1260 O GLU A 86 -1.977 -11.487 1.639 1.00 0.00 O ATOM 1261 CB GLU A 86 -0.001 -13.602 -0.015 1.00 0.00 C ATOM 1262 CG GLU A 86 1.282 -14.000 -0.726 1.00 0.00 C ATOM 1263 CD GLU A 86 1.164 -15.334 -1.437 1.00 0.00 C ATOM 1264 OE1 GLU A 86 0.867 -16.342 -0.763 1.00 0.00 O ATOM 1265 OE2 GLU A 86 1.366 -15.369 -2.669 1.00 0.00 O ATOM 0 H GLU A 86 0.733 -12.449 2.161 1.00 0.00 H new ATOM 0 HA GLU A 86 0.267 -11.547 -0.593 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -0.070 -14.148 0.926 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -0.853 -13.906 -0.623 1.00 0.00 H new ATOM 0 HG2 GLU A 86 1.546 -13.229 -1.450 1.00 0.00 H new ATOM 0 HG3 GLU A 86 2.095 -14.049 -0.001 1.00 0.00 H new ATOM 1272 N THR A 87 -2.326 -11.641 -0.579 1.00 0.00 N ATOM 1273 CA THR A 87 -3.738 -11.282 -0.494 1.00 0.00 C ATOM 1274 C THR A 87 -4.621 -12.446 -0.931 1.00 0.00 C ATOM 1275 O THR A 87 -4.126 -13.521 -1.268 1.00 0.00 O ATOM 1276 CB THR A 87 -4.027 -10.053 -1.359 1.00 0.00 C ATOM 1277 OG1 THR A 87 -4.006 -10.393 -2.734 1.00 0.00 O ATOM 1278 CG2 THR A 87 -3.038 -8.927 -1.150 1.00 0.00 C ATOM 0 H THR A 87 -1.994 -11.826 -1.526 1.00 0.00 H new ATOM 0 HA THR A 87 -3.966 -11.046 0.546 1.00 0.00 H new ATOM 0 HB THR A 87 -5.014 -9.709 -1.051 1.00 0.00 H new ATOM 0 HG1 THR A 87 -3.517 -11.233 -2.856 1.00 0.00 H new ATOM 0 HG21 THR A 87 -3.301 -8.087 -1.793 1.00 0.00 H new ATOM 0 HG22 THR A 87 -3.065 -8.608 -0.108 1.00 0.00 H new ATOM 0 HG23 THR A 87 -2.035 -9.273 -1.398 1.00 0.00 H new ATOM 1286 N GLN A 88 -5.932 -12.224 -0.920 1.00 0.00 N ATOM 1287 CA GLN A 88 -6.885 -13.255 -1.315 1.00 0.00 C ATOM 1288 C GLN A 88 -7.557 -12.903 -2.638 1.00 0.00 C ATOM 1289 O GLN A 88 -7.960 -13.785 -3.395 1.00 0.00 O ATOM 1290 CB GLN A 88 -7.943 -13.443 -0.227 1.00 0.00 C ATOM 1291 CG GLN A 88 -7.390 -14.027 1.064 1.00 0.00 C ATOM 1292 CD GLN A 88 -8.364 -13.910 2.220 1.00 0.00 C ATOM 1293 OE1 GLN A 88 -8.794 -14.915 2.788 1.00 0.00 O ATOM 1294 NE2 GLN A 88 -8.720 -12.681 2.573 1.00 0.00 N ATOM 0 H GLN A 88 -6.358 -11.340 -0.642 1.00 0.00 H new ATOM 0 HA GLN A 88 -6.337 -14.188 -1.446 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -8.406 -12.480 -0.012 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -8.729 -14.097 -0.605 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -7.142 -15.077 0.907 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -6.462 -13.516 1.322 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -8.339 -11.877 2.075 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -9.375 -12.541 3.343 1.00 0.00 H new ATOM 1303 N PHE A 89 -7.677 -11.607 -2.911 1.00 0.00 N ATOM 1304 CA PHE A 89 -8.302 -11.140 -4.143 1.00 0.00 C ATOM 1305 C PHE A 89 -7.376 -11.341 -5.338 1.00 0.00 C ATOM 1306 O PHE A 89 -7.832 -11.583 -6.455 1.00 0.00 O ATOM 1307 CB PHE A 89 -8.681 -9.663 -4.019 1.00 0.00 C ATOM 1308 CG PHE A 89 -7.508 -8.763 -3.752 1.00 0.00 C ATOM 1309 CD1 PHE A 89 -6.790 -8.210 -4.800 1.00 0.00 C ATOM 1310 CD2 PHE A 89 -7.124 -8.471 -2.454 1.00 0.00 C ATOM 1311 CE1 PHE A 89 -5.710 -7.382 -4.558 1.00 0.00 C ATOM 1312 CE2 PHE A 89 -6.045 -7.644 -2.205 1.00 0.00 C ATOM 1313 CZ PHE A 89 -5.338 -7.098 -3.257 1.00 0.00 C ATOM 0 H PHE A 89 -7.350 -10.862 -2.296 1.00 0.00 H new ATOM 0 HA PHE A 89 -9.205 -11.728 -4.306 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -9.172 -9.344 -4.938 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -9.407 -9.549 -3.214 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -7.078 -8.428 -5.818 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -7.674 -8.894 -1.627 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -5.158 -6.958 -5.384 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -5.755 -7.425 -1.188 1.00 0.00 H new ATOM 0 HZ PHE A 89 -4.496 -6.450 -3.064 1.00 0.00 H new ATOM 1323 N ALA A 90 -6.072 -11.240 -5.096 1.00 0.00 N ATOM 1324 CA ALA A 90 -5.084 -11.409 -6.155 1.00 0.00 C ATOM 1325 C ALA A 90 -3.858 -12.167 -5.652 1.00 0.00 C ATOM 1326 O ALA A 90 -3.512 -12.093 -4.473 1.00 0.00 O ATOM 1327 CB ALA A 90 -4.676 -10.056 -6.716 1.00 0.00 C ATOM 0 H ALA A 90 -5.676 -11.042 -4.177 1.00 0.00 H new ATOM 0 HA ALA A 90 -5.540 -11.999 -6.950 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -3.938 -10.197 -7.506 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -5.552 -9.552 -7.124 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -4.245 -9.448 -5.921 1.00 0.00 H new ATOM 1333 N PRO A 91 -3.181 -12.909 -6.545 1.00 0.00 N ATOM 1334 CA PRO A 91 -1.988 -13.682 -6.190 1.00 0.00 C ATOM 1335 C PRO A 91 -0.767 -12.794 -5.968 1.00 0.00 C ATOM 1336 O PRO A 91 -0.885 -11.573 -5.872 1.00 0.00 O ATOM 1337 CB PRO A 91 -1.778 -14.582 -7.407 1.00 0.00 C ATOM 1338 CG PRO A 91 -2.366 -13.821 -8.543 1.00 0.00 C ATOM 1339 CD PRO A 91 -3.527 -13.052 -7.974 1.00 0.00 C ATOM 0 HA PRO A 91 -2.117 -14.227 -5.255 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -0.720 -14.785 -7.572 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -2.271 -15.545 -7.278 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -1.631 -13.147 -8.983 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -2.695 -14.494 -9.334 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -3.641 -12.082 -8.458 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -4.467 -13.588 -8.107 1.00 0.00 H new ATOM 1347 N GLY A 92 0.404 -13.417 -5.887 1.00 0.00 N ATOM 1348 CA GLY A 92 1.630 -12.669 -5.678 1.00 0.00 C ATOM 1349 C GLY A 92 1.640 -11.930 -4.354 1.00 0.00 C ATOM 1350 O GLY A 92 0.685 -12.015 -3.581 1.00 0.00 O ATOM 0 H GLY A 92 0.526 -14.427 -5.962 1.00 0.00 H new ATOM 0 HA2 GLY A 92 2.479 -13.351 -5.716 1.00 0.00 H new ATOM 0 HA3 GLY A 92 1.759 -11.954 -6.491 1.00 0.00 H new ATOM 1354 N GLN A 93 2.721 -11.204 -4.093 1.00 0.00 N ATOM 1355 CA GLN A 93 2.852 -10.447 -2.853 1.00 0.00 C ATOM 1356 C GLN A 93 2.281 -9.041 -3.012 1.00 0.00 C ATOM 1357 O GLN A 93 2.204 -8.514 -4.121 1.00 0.00 O ATOM 1358 CB GLN A 93 4.320 -10.370 -2.429 1.00 0.00 C ATOM 1359 CG GLN A 93 4.737 -11.479 -1.477 1.00 0.00 C ATOM 1360 CD GLN A 93 4.306 -11.213 -0.048 1.00 0.00 C ATOM 1361 OE1 GLN A 93 3.639 -12.039 0.575 1.00 0.00 O ATOM 1362 NE2 GLN A 93 4.685 -10.054 0.479 1.00 0.00 N ATOM 0 H GLN A 93 3.519 -11.123 -4.723 1.00 0.00 H new ATOM 0 HA GLN A 93 2.286 -10.965 -2.079 1.00 0.00 H new ATOM 0 HB2 GLN A 93 4.949 -10.410 -3.318 1.00 0.00 H new ATOM 0 HB3 GLN A 93 4.502 -9.406 -1.953 1.00 0.00 H new ATOM 0 HG2 GLN A 93 4.306 -12.422 -1.813 1.00 0.00 H new ATOM 0 HG3 GLN A 93 5.820 -11.593 -1.511 1.00 0.00 H new ATOM 0 HE21 GLN A 93 5.238 -9.399 -0.074 1.00 0.00 H new ATOM 0 HE22 GLN A 93 4.424 -9.819 1.437 1.00 0.00 H new ATOM 1371 N TRP A 94 1.881 -8.440 -1.895 1.00 0.00 N ATOM 1372 CA TRP A 94 1.316 -7.096 -1.913 1.00 0.00 C ATOM 1373 C TRP A 94 1.821 -6.279 -0.727 1.00 0.00 C ATOM 1374 O TRP A 94 2.456 -6.812 0.182 1.00 0.00 O ATOM 1375 CB TRP A 94 -0.213 -7.163 -1.887 1.00 0.00 C ATOM 1376 CG TRP A 94 -0.809 -7.611 -3.187 1.00 0.00 C ATOM 1377 CD1 TRP A 94 -1.109 -8.891 -3.553 1.00 0.00 C ATOM 1378 CD2 TRP A 94 -1.175 -6.779 -4.293 1.00 0.00 C ATOM 1379 NE1 TRP A 94 -1.640 -8.907 -4.819 1.00 0.00 N ATOM 1380 CE2 TRP A 94 -1.692 -7.623 -5.295 1.00 0.00 C ATOM 1381 CE3 TRP A 94 -1.118 -5.404 -4.535 1.00 0.00 C ATOM 1382 CZ2 TRP A 94 -2.147 -7.135 -6.518 1.00 0.00 C ATOM 1383 CZ3 TRP A 94 -1.570 -4.921 -5.749 1.00 0.00 C ATOM 1384 CH2 TRP A 94 -2.079 -5.785 -6.726 1.00 0.00 C ATOM 0 H TRP A 94 1.938 -8.862 -0.968 1.00 0.00 H new ATOM 0 HA TRP A 94 1.636 -6.606 -2.832 1.00 0.00 H new ATOM 0 HB2 TRP A 94 -0.526 -7.846 -1.097 1.00 0.00 H new ATOM 0 HB3 TRP A 94 -0.609 -6.179 -1.634 1.00 0.00 H new ATOM 0 HD1 TRP A 94 -0.952 -9.764 -2.937 1.00 0.00 H new ATOM 0 HE1 TRP A 94 -1.946 -9.739 -5.323 1.00 0.00 H new ATOM 0 HE3 TRP A 94 -0.728 -4.730 -3.787 1.00 0.00 H new ATOM 0 HZ2 TRP A 94 -2.539 -7.799 -7.274 1.00 0.00 H new ATOM 0 HZ3 TRP A 94 -1.530 -3.860 -5.947 1.00 0.00 H new ATOM 0 HH2 TRP A 94 -2.425 -5.377 -7.664 1.00 0.00 H new ATOM 1395 N ALA A 95 1.534 -4.981 -0.746 1.00 0.00 N ATOM 1396 CA ALA A 95 1.959 -4.089 0.326 1.00 0.00 C ATOM 1397 C ALA A 95 1.018 -2.896 0.453 1.00 0.00 C ATOM 1398 O ALA A 95 0.838 -2.132 -0.495 1.00 0.00 O ATOM 1399 CB ALA A 95 3.385 -3.617 0.085 1.00 0.00 C ATOM 0 H ALA A 95 1.009 -4.524 -1.492 1.00 0.00 H new ATOM 0 HA ALA A 95 1.926 -4.645 1.263 1.00 0.00 H new ATOM 0 HB1 ALA A 95 3.689 -2.952 0.893 1.00 0.00 H new ATOM 0 HB2 ALA A 95 4.053 -4.478 0.053 1.00 0.00 H new ATOM 0 HB3 ALA A 95 3.436 -3.083 -0.864 1.00 0.00 H new ATOM 1405 N GLY A 96 0.421 -2.742 1.631 1.00 0.00 N ATOM 1406 CA GLY A 96 -0.493 -1.639 1.860 1.00 0.00 C ATOM 1407 C GLY A 96 0.201 -0.418 2.432 1.00 0.00 C ATOM 1408 O GLY A 96 0.978 -0.526 3.382 1.00 0.00 O ATOM 0 H GLY A 96 0.554 -3.361 2.430 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -0.976 -1.371 0.921 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -1.280 -1.959 2.543 1.00 0.00 H new ATOM 1412 N ILE A 97 -0.075 0.745 1.852 1.00 0.00 N ATOM 1413 CA ILE A 97 0.529 1.990 2.309 1.00 0.00 C ATOM 1414 C ILE A 97 -0.524 3.077 2.496 1.00 0.00 C ATOM 1415 O ILE A 97 -1.423 3.232 1.669 1.00 0.00 O ATOM 1416 CB ILE A 97 1.600 2.492 1.320 1.00 0.00 C ATOM 1417 CG1 ILE A 97 2.592 1.373 0.996 1.00 0.00 C ATOM 1418 CG2 ILE A 97 2.326 3.701 1.892 1.00 0.00 C ATOM 1419 CD1 ILE A 97 3.259 1.530 -0.353 1.00 0.00 C ATOM 0 H ILE A 97 -0.714 0.851 1.064 1.00 0.00 H new ATOM 0 HA ILE A 97 1.002 1.778 3.268 1.00 0.00 H new ATOM 0 HB ILE A 97 1.106 2.793 0.396 1.00 0.00 H new ATOM 0 HG12 ILE A 97 3.359 1.342 1.770 1.00 0.00 H new ATOM 0 HG13 ILE A 97 2.071 0.416 1.026 1.00 0.00 H new ATOM 0 HG21 ILE A 97 3.079 4.043 1.182 1.00 0.00 H new ATOM 0 HG22 ILE A 97 1.610 4.502 2.076 1.00 0.00 H new ATOM 0 HG23 ILE A 97 2.810 3.425 2.829 1.00 0.00 H new ATOM 0 HD11 ILE A 97 3.949 0.702 -0.516 1.00 0.00 H new ATOM 0 HD12 ILE A 97 2.501 1.530 -1.136 1.00 0.00 H new ATOM 0 HD13 ILE A 97 3.809 2.471 -0.380 1.00 0.00 H new ATOM 1431 N VAL A 98 -0.406 3.827 3.587 1.00 0.00 N ATOM 1432 CA VAL A 98 -1.346 4.900 3.883 1.00 0.00 C ATOM 1433 C VAL A 98 -0.780 6.255 3.474 1.00 0.00 C ATOM 1434 O VAL A 98 0.241 6.696 4.001 1.00 0.00 O ATOM 1435 CB VAL A 98 -1.705 4.936 5.380 1.00 0.00 C ATOM 1436 CG1 VAL A 98 -2.832 5.924 5.637 1.00 0.00 C ATOM 1437 CG2 VAL A 98 -2.080 3.547 5.873 1.00 0.00 C ATOM 0 H VAL A 98 0.332 3.711 4.281 1.00 0.00 H new ATOM 0 HA VAL A 98 -2.248 4.698 3.306 1.00 0.00 H new ATOM 0 HB VAL A 98 -0.829 5.269 5.936 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -3.071 5.935 6.700 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -2.520 6.921 5.325 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -3.714 5.626 5.070 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -2.330 3.592 6.933 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -2.940 3.182 5.312 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -1.238 2.870 5.728 1.00 0.00 H new ATOM 1447 N LEU A 99 -1.449 6.912 2.532 1.00 0.00 N ATOM 1448 CA LEU A 99 -1.011 8.217 2.053 1.00 0.00 C ATOM 1449 C LEU A 99 -1.346 9.310 3.064 1.00 0.00 C ATOM 1450 O LEU A 99 -1.982 9.049 4.085 1.00 0.00 O ATOM 1451 CB LEU A 99 -1.664 8.535 0.706 1.00 0.00 C ATOM 1452 CG LEU A 99 -1.274 7.600 -0.440 1.00 0.00 C ATOM 1453 CD1 LEU A 99 -2.261 7.725 -1.590 1.00 0.00 C ATOM 1454 CD2 LEU A 99 0.140 7.902 -0.913 1.00 0.00 C ATOM 0 H LEU A 99 -2.297 6.562 2.086 1.00 0.00 H new ATOM 0 HA LEU A 99 0.071 8.184 1.926 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -2.747 8.503 0.828 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -1.405 9.556 0.426 1.00 0.00 H new ATOM 0 HG LEU A 99 -1.303 6.574 -0.074 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -1.967 7.053 -2.396 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -3.260 7.461 -1.243 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -2.264 8.751 -1.957 1.00 0.00 H new ATOM 0 HD21 LEU A 99 0.403 7.228 -1.729 1.00 0.00 H new ATOM 0 HD22 LEU A 99 0.194 8.933 -1.262 1.00 0.00 H new ATOM 0 HD23 LEU A 99 0.838 7.761 -0.087 1.00 0.00 H new ATOM 1466 N ASP A 100 -0.912 10.531 2.773 1.00 0.00 N ATOM 1467 CA ASP A 100 -1.165 11.664 3.656 1.00 0.00 C ATOM 1468 C ASP A 100 -2.073 12.688 2.982 1.00 0.00 C ATOM 1469 O ASP A 100 -1.971 13.888 3.239 1.00 0.00 O ATOM 1470 CB ASP A 100 0.153 12.324 4.064 1.00 0.00 C ATOM 1471 CG ASP A 100 0.151 12.774 5.511 1.00 0.00 C ATOM 1472 OD1 ASP A 100 -0.537 13.769 5.822 1.00 0.00 O ATOM 1473 OD2 ASP A 100 0.838 12.132 6.333 1.00 0.00 O ATOM 0 H ASP A 100 -0.383 10.762 1.932 1.00 0.00 H new ATOM 0 HA ASP A 100 -1.668 11.291 4.548 1.00 0.00 H new ATOM 0 HB2 ASP A 100 0.972 11.622 3.906 1.00 0.00 H new ATOM 0 HB3 ASP A 100 0.341 13.183 3.420 1.00 0.00 H new ATOM 1478 N GLU A 101 -2.961 12.207 2.119 1.00 0.00 N ATOM 1479 CA GLU A 101 -3.888 13.079 1.407 1.00 0.00 C ATOM 1480 C GLU A 101 -4.926 12.261 0.644 1.00 0.00 C ATOM 1481 O GLU A 101 -4.681 11.108 0.291 1.00 0.00 O ATOM 1482 CB GLU A 101 -3.123 13.990 0.442 1.00 0.00 C ATOM 1483 CG GLU A 101 -2.984 15.421 0.938 1.00 0.00 C ATOM 1484 CD GLU A 101 -2.736 16.405 -0.188 1.00 0.00 C ATOM 1485 OE1 GLU A 101 -3.027 16.062 -1.353 1.00 0.00 O ATOM 1486 OE2 GLU A 101 -2.251 17.521 0.095 1.00 0.00 O ATOM 0 H GLU A 101 -3.059 11.217 1.895 1.00 0.00 H new ATOM 0 HA GLU A 101 -4.408 13.695 2.140 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -2.130 13.574 0.274 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -3.634 13.996 -0.521 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -3.890 15.706 1.472 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -2.162 15.476 1.652 1.00 0.00 H new ATOM 1493 N PRO A 102 -6.105 12.850 0.377 1.00 0.00 N ATOM 1494 CA PRO A 102 -7.182 12.168 -0.348 1.00 0.00 C ATOM 1495 C PRO A 102 -6.886 12.036 -1.839 1.00 0.00 C ATOM 1496 O PRO A 102 -7.641 12.529 -2.679 1.00 0.00 O ATOM 1497 CB PRO A 102 -8.388 13.079 -0.119 1.00 0.00 C ATOM 1498 CG PRO A 102 -7.804 14.435 0.076 1.00 0.00 C ATOM 1499 CD PRO A 102 -6.481 14.225 0.763 1.00 0.00 C ATOM 0 HA PRO A 102 -7.328 11.146 0.001 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -9.067 13.059 -0.971 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -8.962 12.765 0.753 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -7.671 14.943 -0.879 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -8.462 15.060 0.680 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -5.738 14.951 0.434 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -6.570 14.328 1.844 1.00 0.00 H new ATOM 1507 N ILE A 103 -5.783 11.370 -2.163 1.00 0.00 N ATOM 1508 CA ILE A 103 -5.387 11.175 -3.553 1.00 0.00 C ATOM 1509 C ILE A 103 -5.345 9.693 -3.921 1.00 0.00 C ATOM 1510 O ILE A 103 -5.410 9.336 -5.097 1.00 0.00 O ATOM 1511 CB ILE A 103 -4.009 11.801 -3.839 1.00 0.00 C ATOM 1512 CG1 ILE A 103 -3.002 11.389 -2.763 1.00 0.00 C ATOM 1513 CG2 ILE A 103 -4.121 13.317 -3.913 1.00 0.00 C ATOM 1514 CD1 ILE A 103 -1.583 11.277 -3.275 1.00 0.00 C ATOM 0 H ILE A 103 -5.147 10.956 -1.482 1.00 0.00 H new ATOM 0 HA ILE A 103 -6.141 11.673 -4.163 1.00 0.00 H new ATOM 0 HB ILE A 103 -3.654 11.434 -4.802 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -3.031 12.117 -1.952 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -3.304 10.430 -2.342 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -3.139 13.745 -4.116 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -4.809 13.592 -4.712 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -4.495 13.701 -2.964 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -0.924 10.981 -2.459 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -1.540 10.528 -4.066 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -1.262 12.241 -3.670 1.00 0.00 H new ATOM 1526 N GLY A 104 -5.233 8.833 -2.911 1.00 0.00 N ATOM 1527 CA GLY A 104 -5.182 7.402 -3.158 1.00 0.00 C ATOM 1528 C GLY A 104 -6.384 6.901 -3.934 1.00 0.00 C ATOM 1529 O GLY A 104 -7.166 7.692 -4.461 1.00 0.00 O ATOM 0 H GLY A 104 -5.177 9.101 -1.928 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -4.273 7.165 -3.710 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -5.123 6.875 -2.206 1.00 0.00 H new ATOM 1533 N LYS A 105 -6.530 5.582 -4.007 1.00 0.00 N ATOM 1534 CA LYS A 105 -7.644 4.975 -4.727 1.00 0.00 C ATOM 1535 C LYS A 105 -8.417 4.014 -3.827 1.00 0.00 C ATOM 1536 O LYS A 105 -9.646 4.041 -3.786 1.00 0.00 O ATOM 1537 CB LYS A 105 -7.134 4.235 -5.965 1.00 0.00 C ATOM 1538 CG LYS A 105 -6.426 5.136 -6.963 1.00 0.00 C ATOM 1539 CD LYS A 105 -4.985 5.402 -6.552 1.00 0.00 C ATOM 1540 CE LYS A 105 -4.650 6.884 -6.608 1.00 0.00 C ATOM 1541 NZ LYS A 105 -3.838 7.225 -7.808 1.00 0.00 N ATOM 0 H LYS A 105 -5.891 4.913 -3.577 1.00 0.00 H new ATOM 0 HA LYS A 105 -8.319 5.772 -5.040 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -6.450 3.447 -5.651 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -7.975 3.749 -6.460 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -6.444 4.673 -7.949 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -6.962 6.081 -7.045 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -4.820 5.029 -5.541 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -4.311 4.851 -7.209 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -5.572 7.465 -6.617 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -4.104 7.167 -5.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -3.631 8.244 -7.809 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -2.946 6.690 -7.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -4.369 6.979 -8.668 1.00 0.00 H new ATOM 1555 N ASN A 106 -7.686 3.167 -3.109 1.00 0.00 N ATOM 1556 CA ASN A 106 -8.305 2.198 -2.211 1.00 0.00 C ATOM 1557 C ASN A 106 -8.500 2.791 -0.820 1.00 0.00 C ATOM 1558 O ASN A 106 -8.071 3.913 -0.547 1.00 0.00 O ATOM 1559 CB ASN A 106 -7.448 0.933 -2.124 1.00 0.00 C ATOM 1560 CG ASN A 106 -7.868 -0.120 -3.130 1.00 0.00 C ATOM 1561 OD1 ASN A 106 -9.058 -0.354 -3.342 1.00 0.00 O ATOM 1562 ND2 ASN A 106 -6.889 -0.762 -3.758 1.00 0.00 N ATOM 0 H ASN A 106 -6.667 3.132 -3.131 1.00 0.00 H new ATOM 0 HA ASN A 106 -9.284 1.939 -2.615 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -6.403 1.194 -2.290 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -7.518 0.519 -1.118 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -7.110 -1.481 -4.447 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -5.916 -0.536 -3.551 1.00 0.00 H new ATOM 1569 N ASP A 107 -9.151 2.031 0.056 1.00 0.00 N ATOM 1570 CA ASP A 107 -9.403 2.482 1.420 1.00 0.00 C ATOM 1571 C ASP A 107 -8.960 1.431 2.432 1.00 0.00 C ATOM 1572 O ASP A 107 -9.564 1.282 3.493 1.00 0.00 O ATOM 1573 CB ASP A 107 -10.889 2.794 1.609 1.00 0.00 C ATOM 1574 CG ASP A 107 -11.407 3.785 0.585 1.00 0.00 C ATOM 1575 OD1 ASP A 107 -10.913 4.932 0.566 1.00 0.00 O ATOM 1576 OD2 ASP A 107 -12.306 3.415 -0.197 1.00 0.00 O ATOM 0 H ASP A 107 -9.513 1.101 -0.155 1.00 0.00 H new ATOM 0 HA ASP A 107 -8.823 3.389 1.589 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -11.463 1.870 1.539 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -11.049 3.194 2.610 1.00 0.00 H new ATOM 1581 N GLY A 108 -7.900 0.702 2.095 1.00 0.00 N ATOM 1582 CA GLY A 108 -7.393 -0.325 2.986 1.00 0.00 C ATOM 1583 C GLY A 108 -8.326 -1.516 3.088 1.00 0.00 C ATOM 1584 O GLY A 108 -8.361 -2.201 4.111 1.00 0.00 O ATOM 0 H GLY A 108 -7.384 0.804 1.221 1.00 0.00 H new ATOM 0 HA2 GLY A 108 -6.418 -0.660 2.632 1.00 0.00 H new ATOM 0 HA3 GLY A 108 -7.242 0.101 3.978 1.00 0.00 H new ATOM 1588 N SER A 109 -9.084 -1.764 2.025 1.00 0.00 N ATOM 1589 CA SER A 109 -10.022 -2.881 1.999 1.00 0.00 C ATOM 1590 C SER A 109 -10.314 -3.313 0.566 1.00 0.00 C ATOM 1591 O SER A 109 -10.711 -2.502 -0.270 1.00 0.00 O ATOM 1592 CB SER A 109 -11.325 -2.495 2.703 1.00 0.00 C ATOM 1593 OG SER A 109 -12.113 -1.645 1.887 1.00 0.00 O ATOM 0 H SER A 109 -9.067 -1.207 1.171 1.00 0.00 H new ATOM 0 HA SER A 109 -9.566 -3.719 2.526 1.00 0.00 H new ATOM 0 HB2 SER A 109 -11.890 -3.394 2.949 1.00 0.00 H new ATOM 0 HB3 SER A 109 -11.099 -1.994 3.644 1.00 0.00 H new ATOM 0 HG SER A 109 -11.836 -1.741 0.952 1.00 0.00 H new ATOM 1599 N VAL A 110 -10.113 -4.597 0.289 1.00 0.00 N ATOM 1600 CA VAL A 110 -10.353 -5.139 -1.044 1.00 0.00 C ATOM 1601 C VAL A 110 -11.276 -6.351 -0.986 1.00 0.00 C ATOM 1602 O VAL A 110 -11.052 -7.278 -0.208 1.00 0.00 O ATOM 1603 CB VAL A 110 -9.036 -5.543 -1.733 1.00 0.00 C ATOM 1604 CG1 VAL A 110 -9.289 -5.947 -3.178 1.00 0.00 C ATOM 1605 CG2 VAL A 110 -8.021 -4.411 -1.659 1.00 0.00 C ATOM 0 H VAL A 110 -9.784 -5.282 0.970 1.00 0.00 H new ATOM 0 HA VAL A 110 -10.830 -4.349 -1.625 1.00 0.00 H new ATOM 0 HB VAL A 110 -8.624 -6.403 -1.206 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -8.346 -6.229 -3.647 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -9.975 -6.794 -3.204 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -9.727 -5.108 -3.719 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -7.098 -4.717 -2.151 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -8.423 -3.529 -2.157 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -7.814 -4.175 -0.615 1.00 0.00 H new ATOM 1615 N ALA A 111 -12.317 -6.337 -1.814 1.00 0.00 N ATOM 1616 CA ALA A 111 -13.274 -7.434 -1.856 1.00 0.00 C ATOM 1617 C ALA A 111 -13.943 -7.632 -0.500 1.00 0.00 C ATOM 1618 O ALA A 111 -14.298 -8.751 -0.129 1.00 0.00 O ATOM 1619 CB ALA A 111 -12.587 -8.716 -2.299 1.00 0.00 C ATOM 0 H ALA A 111 -12.518 -5.577 -2.464 1.00 0.00 H new ATOM 0 HA ALA A 111 -14.048 -7.180 -2.580 1.00 0.00 H new ATOM 0 HB1 ALA A 111 -13.314 -9.528 -2.326 1.00 0.00 H new ATOM 0 HB2 ALA A 111 -12.162 -8.576 -3.293 1.00 0.00 H new ATOM 0 HB3 ALA A 111 -11.792 -8.964 -1.596 1.00 0.00 H new ATOM 1625 N GLY A 112 -14.111 -6.539 0.236 1.00 0.00 N ATOM 1626 CA GLY A 112 -14.737 -6.614 1.543 1.00 0.00 C ATOM 1627 C GLY A 112 -13.804 -7.168 2.602 1.00 0.00 C ATOM 1628 O GLY A 112 -14.251 -7.770 3.579 1.00 0.00 O ATOM 0 H GLY A 112 -13.825 -5.602 -0.049 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -15.070 -5.620 1.841 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -15.626 -7.242 1.481 1.00 0.00 H new ATOM 1632 N VAL A 113 -12.505 -6.963 2.409 1.00 0.00 N ATOM 1633 CA VAL A 113 -11.507 -7.448 3.354 1.00 0.00 C ATOM 1634 C VAL A 113 -10.519 -6.345 3.721 1.00 0.00 C ATOM 1635 O VAL A 113 -9.693 -5.940 2.903 1.00 0.00 O ATOM 1636 CB VAL A 113 -10.729 -8.649 2.786 1.00 0.00 C ATOM 1637 CG1 VAL A 113 -9.837 -9.262 3.853 1.00 0.00 C ATOM 1638 CG2 VAL A 113 -11.688 -9.686 2.222 1.00 0.00 C ATOM 0 H VAL A 113 -12.120 -6.464 1.607 1.00 0.00 H new ATOM 0 HA VAL A 113 -12.045 -7.765 4.247 1.00 0.00 H new ATOM 0 HB VAL A 113 -10.093 -8.295 1.975 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -9.296 -10.109 3.432 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -9.125 -8.515 4.205 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -10.450 -9.602 4.688 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -11.121 -10.528 1.825 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -12.351 -10.036 3.013 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -12.280 -9.238 1.424 1.00 0.00 H new ATOM 1648 N ARG A 114 -10.610 -5.863 4.956 1.00 0.00 N ATOM 1649 CA ARG A 114 -9.725 -4.806 5.431 1.00 0.00 C ATOM 1650 C ARG A 114 -8.417 -5.388 5.958 1.00 0.00 C ATOM 1651 O ARG A 114 -8.416 -6.215 6.870 1.00 0.00 O ATOM 1652 CB ARG A 114 -10.414 -3.991 6.527 1.00 0.00 C ATOM 1653 CG ARG A 114 -10.115 -2.503 6.456 1.00 0.00 C ATOM 1654 CD ARG A 114 -10.992 -1.709 7.412 1.00 0.00 C ATOM 1655 NE ARG A 114 -12.404 -1.768 7.038 1.00 0.00 N ATOM 1656 CZ ARG A 114 -13.252 -2.702 7.467 1.00 0.00 C ATOM 1657 NH1 ARG A 114 -12.838 -3.666 8.280 1.00 0.00 N ATOM 1658 NH2 ARG A 114 -14.520 -2.671 7.079 1.00 0.00 N ATOM 0 H ARG A 114 -11.288 -6.188 5.646 1.00 0.00 H new ATOM 0 HA ARG A 114 -9.497 -4.151 4.590 1.00 0.00 H new ATOM 0 HB2 ARG A 114 -11.491 -4.141 6.457 1.00 0.00 H new ATOM 0 HB3 ARG A 114 -10.102 -4.370 7.500 1.00 0.00 H new ATOM 0 HG2 ARG A 114 -9.066 -2.330 6.696 1.00 0.00 H new ATOM 0 HG3 ARG A 114 -10.272 -2.148 5.437 1.00 0.00 H new ATOM 0 HD2 ARG A 114 -10.869 -2.096 8.423 1.00 0.00 H new ATOM 0 HD3 ARG A 114 -10.664 -0.670 7.426 1.00 0.00 H new ATOM 0 HE ARG A 114 -12.762 -1.049 6.409 1.00 0.00 H new ATOM 0 HH11 ARG A 114 -11.864 -3.696 8.581 1.00 0.00 H new ATOM 0 HH12 ARG A 114 -13.494 -4.377 8.604 1.00 0.00 H new ATOM 0 HH21 ARG A 114 -14.844 -1.933 6.454 1.00 0.00 H new ATOM 0 HH22 ARG A 114 -15.171 -3.385 7.406 1.00 0.00 H new ATOM 1672 N TYR A 115 -7.304 -4.952 5.377 1.00 0.00 N ATOM 1673 CA TYR A 115 -5.989 -5.429 5.787 1.00 0.00 C ATOM 1674 C TYR A 115 -5.356 -4.479 6.799 1.00 0.00 C ATOM 1675 O TYR A 115 -4.672 -4.912 7.727 1.00 0.00 O ATOM 1676 CB TYR A 115 -5.075 -5.578 4.570 1.00 0.00 C ATOM 1677 CG TYR A 115 -5.571 -6.591 3.561 1.00 0.00 C ATOM 1678 CD1 TYR A 115 -5.274 -7.941 3.700 1.00 0.00 C ATOM 1679 CD2 TYR A 115 -6.336 -6.196 2.470 1.00 0.00 C ATOM 1680 CE1 TYR A 115 -5.725 -8.869 2.781 1.00 0.00 C ATOM 1681 CE2 TYR A 115 -6.792 -7.119 1.547 1.00 0.00 C ATOM 1682 CZ TYR A 115 -6.483 -8.453 1.707 1.00 0.00 C ATOM 1683 OH TYR A 115 -6.935 -9.375 0.790 1.00 0.00 O ATOM 0 H TYR A 115 -7.287 -4.268 4.620 1.00 0.00 H new ATOM 0 HA TYR A 115 -6.115 -6.403 6.260 1.00 0.00 H new ATOM 0 HB2 TYR A 115 -4.975 -4.609 4.081 1.00 0.00 H new ATOM 0 HB3 TYR A 115 -4.080 -5.870 4.907 1.00 0.00 H new ATOM 0 HD1 TYR A 115 -4.681 -8.271 4.540 1.00 0.00 H new ATOM 0 HD2 TYR A 115 -6.578 -5.151 2.341 1.00 0.00 H new ATOM 0 HE1 TYR A 115 -5.485 -9.915 2.903 1.00 0.00 H new ATOM 0 HE2 TYR A 115 -7.387 -6.797 0.705 1.00 0.00 H new ATOM 0 HH TYR A 115 -6.807 -9.025 -0.116 1.00 0.00 H new ATOM 1693 N PHE A 116 -5.588 -3.184 6.613 1.00 0.00 N ATOM 1694 CA PHE A 116 -5.039 -2.174 7.511 1.00 0.00 C ATOM 1695 C PHE A 116 -5.965 -0.965 7.600 1.00 0.00 C ATOM 1696 O PHE A 116 -6.311 -0.359 6.586 1.00 0.00 O ATOM 1697 CB PHE A 116 -3.654 -1.735 7.033 1.00 0.00 C ATOM 1698 CG PHE A 116 -3.651 -1.155 5.652 1.00 0.00 C ATOM 1699 CD1 PHE A 116 -3.610 -1.984 4.545 1.00 0.00 C ATOM 1700 CD2 PHE A 116 -3.683 0.215 5.462 1.00 0.00 C ATOM 1701 CE1 PHE A 116 -3.603 -1.456 3.270 1.00 0.00 C ATOM 1702 CE2 PHE A 116 -3.675 0.749 4.189 1.00 0.00 C ATOM 1703 CZ PHE A 116 -3.636 -0.089 3.092 1.00 0.00 C ATOM 0 H PHE A 116 -6.152 -2.809 5.850 1.00 0.00 H new ATOM 0 HA PHE A 116 -4.950 -2.616 8.503 1.00 0.00 H new ATOM 0 HB2 PHE A 116 -3.256 -0.996 7.729 1.00 0.00 H new ATOM 0 HB3 PHE A 116 -2.981 -2.592 7.059 1.00 0.00 H new ATOM 0 HD1 PHE A 116 -3.583 -3.055 4.680 1.00 0.00 H new ATOM 0 HD2 PHE A 116 -3.715 0.873 6.318 1.00 0.00 H new ATOM 0 HE1 PHE A 116 -3.572 -2.112 2.413 1.00 0.00 H new ATOM 0 HE2 PHE A 116 -3.699 1.820 4.051 1.00 0.00 H new ATOM 0 HZ PHE A 116 -3.631 0.326 2.095 1.00 0.00 H new ATOM 1713 N GLN A 117 -6.362 -0.620 8.821 1.00 0.00 N ATOM 1714 CA GLN A 117 -7.248 0.518 9.043 1.00 0.00 C ATOM 1715 C GLN A 117 -6.557 1.826 8.670 1.00 0.00 C ATOM 1716 O GLN A 117 -5.505 2.161 9.215 1.00 0.00 O ATOM 1717 CB GLN A 117 -7.696 0.563 10.505 1.00 0.00 C ATOM 1718 CG GLN A 117 -8.646 1.709 10.815 1.00 0.00 C ATOM 1719 CD GLN A 117 -9.852 1.731 9.897 1.00 0.00 C ATOM 1720 OE1 GLN A 117 -10.753 0.900 10.016 1.00 0.00 O ATOM 1721 NE2 GLN A 117 -9.874 2.685 8.972 1.00 0.00 N ATOM 0 H GLN A 117 -6.085 -1.111 9.671 1.00 0.00 H new ATOM 0 HA GLN A 117 -8.123 0.396 8.405 1.00 0.00 H new ATOM 0 HB2 GLN A 117 -8.182 -0.379 10.756 1.00 0.00 H new ATOM 0 HB3 GLN A 117 -6.817 0.648 11.143 1.00 0.00 H new ATOM 0 HG2 GLN A 117 -8.982 1.628 11.849 1.00 0.00 H new ATOM 0 HG3 GLN A 117 -8.110 2.654 10.727 1.00 0.00 H new ATOM 0 HE21 GLN A 117 -9.105 3.353 8.910 1.00 0.00 H new ATOM 0 HE22 GLN A 117 -10.659 2.749 8.324 1.00 0.00 H new ATOM 1730 N CYS A 118 -7.156 2.560 7.739 1.00 0.00 N ATOM 1731 CA CYS A 118 -6.598 3.832 7.293 1.00 0.00 C ATOM 1732 C CYS A 118 -7.699 4.761 6.790 1.00 0.00 C ATOM 1733 O CYS A 118 -8.844 4.345 6.616 1.00 0.00 O ATOM 1734 CB CYS A 118 -5.566 3.600 6.188 1.00 0.00 C ATOM 1735 SG CYS A 118 -6.246 2.859 4.686 1.00 0.00 S ATOM 0 H CYS A 118 -8.027 2.297 7.279 1.00 0.00 H new ATOM 0 HA CYS A 118 -6.108 4.305 8.144 1.00 0.00 H new ATOM 0 HB2 CYS A 118 -5.103 4.553 5.932 1.00 0.00 H new ATOM 0 HB3 CYS A 118 -4.776 2.955 6.573 1.00 0.00 H new ATOM 0 HG CYS A 118 -5.525 1.833 4.344 1.00 0.00 H new ATOM 1741 N GLU A 119 -7.343 6.020 6.559 1.00 0.00 N ATOM 1742 CA GLU A 119 -8.302 7.008 6.076 1.00 0.00 C ATOM 1743 C GLU A 119 -8.641 6.764 4.607 1.00 0.00 C ATOM 1744 O GLU A 119 -7.820 6.245 3.851 1.00 0.00 O ATOM 1745 CB GLU A 119 -7.744 8.421 6.254 1.00 0.00 C ATOM 1746 CG GLU A 119 -7.774 8.910 7.692 1.00 0.00 C ATOM 1747 CD GLU A 119 -6.574 9.767 8.043 1.00 0.00 C ATOM 1748 OE1 GLU A 119 -5.514 9.197 8.376 1.00 0.00 O ATOM 1749 OE2 GLU A 119 -6.694 11.009 7.980 1.00 0.00 O ATOM 0 H GLU A 119 -6.399 6.381 6.698 1.00 0.00 H new ATOM 0 HA GLU A 119 -9.215 6.909 6.663 1.00 0.00 H new ATOM 0 HB2 GLU A 119 -6.716 8.445 5.892 1.00 0.00 H new ATOM 0 HB3 GLU A 119 -8.317 9.110 5.633 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -8.686 9.484 7.858 1.00 0.00 H new ATOM 0 HG3 GLU A 119 -7.811 8.052 8.363 1.00 0.00 H new ATOM 1756 N PRO A 120 -9.862 7.133 4.182 1.00 0.00 N ATOM 1757 CA PRO A 120 -10.305 6.950 2.796 1.00 0.00 C ATOM 1758 C PRO A 120 -9.407 7.676 1.799 1.00 0.00 C ATOM 1759 O PRO A 120 -8.883 8.751 2.088 1.00 0.00 O ATOM 1760 CB PRO A 120 -11.713 7.555 2.779 1.00 0.00 C ATOM 1761 CG PRO A 120 -12.152 7.556 4.203 1.00 0.00 C ATOM 1762 CD PRO A 120 -10.905 7.755 5.016 1.00 0.00 C ATOM 0 HA PRO A 120 -10.275 5.901 2.500 1.00 0.00 H new ATOM 0 HB2 PRO A 120 -11.703 8.565 2.369 1.00 0.00 H new ATOM 0 HB3 PRO A 120 -12.388 6.965 2.159 1.00 0.00 H new ATOM 0 HG2 PRO A 120 -12.872 8.353 4.390 1.00 0.00 H new ATOM 0 HG3 PRO A 120 -12.642 6.617 4.462 1.00 0.00 H new ATOM 0 HD2 PRO A 120 -10.703 8.811 5.193 1.00 0.00 H new ATOM 0 HD3 PRO A 120 -10.979 7.277 5.993 1.00 0.00 H new ATOM 1770 N LEU A 121 -9.241 7.083 0.621 1.00 0.00 N ATOM 1771 CA LEU A 121 -8.413 7.674 -0.425 1.00 0.00 C ATOM 1772 C LEU A 121 -6.969 7.834 0.041 1.00 0.00 C ATOM 1773 O LEU A 121 -6.360 8.890 -0.140 1.00 0.00 O ATOM 1774 CB LEU A 121 -8.982 9.031 -0.843 1.00 0.00 C ATOM 1775 CG LEU A 121 -10.494 9.056 -1.078 1.00 0.00 C ATOM 1776 CD1 LEU A 121 -10.974 10.479 -1.313 1.00 0.00 C ATOM 1777 CD2 LEU A 121 -10.864 8.166 -2.254 1.00 0.00 C ATOM 0 H LEU A 121 -9.669 6.193 0.366 1.00 0.00 H new ATOM 0 HA LEU A 121 -8.421 7.002 -1.283 1.00 0.00 H new ATOM 0 HB2 LEU A 121 -8.737 9.763 -0.073 1.00 0.00 H new ATOM 0 HB3 LEU A 121 -8.482 9.351 -1.757 1.00 0.00 H new ATOM 0 HG LEU A 121 -10.988 8.671 -0.186 1.00 0.00 H new ATOM 0 HD11 LEU A 121 -12.051 10.477 -1.478 1.00 0.00 H new ATOM 0 HD12 LEU A 121 -10.742 11.090 -0.441 1.00 0.00 H new ATOM 0 HD13 LEU A 121 -10.473 10.892 -2.189 1.00 0.00 H new ATOM 0 HD21 LEU A 121 -11.943 8.195 -2.407 1.00 0.00 H new ATOM 0 HD22 LEU A 121 -10.360 8.522 -3.152 1.00 0.00 H new ATOM 0 HD23 LEU A 121 -10.555 7.142 -2.046 1.00 0.00 H new ATOM 1789 N LYS A 122 -6.422 6.780 0.638 1.00 0.00 N ATOM 1790 CA LYS A 122 -5.047 6.804 1.124 1.00 0.00 C ATOM 1791 C LYS A 122 -4.422 5.415 1.053 1.00 0.00 C ATOM 1792 O LYS A 122 -3.310 5.248 0.552 1.00 0.00 O ATOM 1793 CB LYS A 122 -4.999 7.327 2.560 1.00 0.00 C ATOM 1794 CG LYS A 122 -4.861 8.837 2.655 1.00 0.00 C ATOM 1795 CD LYS A 122 -5.667 9.399 3.815 1.00 0.00 C ATOM 1796 CE LYS A 122 -5.683 10.920 3.803 1.00 0.00 C ATOM 1797 NZ LYS A 122 -5.026 11.490 5.012 1.00 0.00 N ATOM 0 H LYS A 122 -6.910 5.898 0.797 1.00 0.00 H new ATOM 0 HA LYS A 122 -4.473 7.474 0.484 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -5.907 7.020 3.080 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -4.162 6.861 3.079 1.00 0.00 H new ATOM 0 HG2 LYS A 122 -3.811 9.100 2.779 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -5.196 9.293 1.723 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -6.689 9.024 3.764 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -5.245 9.047 4.756 1.00 0.00 H new ATOM 0 HE2 LYS A 122 -5.175 11.282 2.909 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -6.713 11.272 3.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -5.057 12.529 4.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -5.526 11.165 5.864 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -4.036 11.175 5.050 1.00 0.00 H new ATOM 1811 N GLY A 123 -5.144 4.420 1.557 1.00 0.00 N ATOM 1812 CA GLY A 123 -4.645 3.058 1.540 1.00 0.00 C ATOM 1813 C GLY A 123 -4.616 2.471 0.142 1.00 0.00 C ATOM 1814 O GLY A 123 -5.653 2.086 -0.398 1.00 0.00 O ATOM 0 H GLY A 123 -6.067 4.533 1.977 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -3.640 3.037 1.961 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -5.272 2.436 2.179 1.00 0.00 H new ATOM 1818 N ILE A 124 -3.425 2.402 -0.444 1.00 0.00 N ATOM 1819 CA ILE A 124 -3.265 1.858 -1.787 1.00 0.00 C ATOM 1820 C ILE A 124 -2.521 0.527 -1.754 1.00 0.00 C ATOM 1821 O ILE A 124 -1.529 0.376 -1.041 1.00 0.00 O ATOM 1822 CB ILE A 124 -2.507 2.841 -2.705 1.00 0.00 C ATOM 1823 CG1 ILE A 124 -2.469 2.311 -4.140 1.00 0.00 C ATOM 1824 CG2 ILE A 124 -1.098 3.083 -2.183 1.00 0.00 C ATOM 1825 CD1 ILE A 124 -3.494 2.954 -5.050 1.00 0.00 C ATOM 0 H ILE A 124 -2.557 2.716 -0.010 1.00 0.00 H new ATOM 0 HA ILE A 124 -4.266 1.700 -2.188 1.00 0.00 H new ATOM 0 HB ILE A 124 -3.038 3.793 -2.705 1.00 0.00 H new ATOM 0 HG12 ILE A 124 -1.474 2.476 -4.553 1.00 0.00 H new ATOM 0 HG13 ILE A 124 -2.633 1.234 -4.125 1.00 0.00 H new ATOM 0 HG21 ILE A 124 -0.580 3.778 -2.843 1.00 0.00 H new ATOM 0 HG22 ILE A 124 -1.149 3.505 -1.179 1.00 0.00 H new ATOM 0 HG23 ILE A 124 -0.554 2.139 -2.152 1.00 0.00 H new ATOM 0 HD11 ILE A 124 -3.409 2.530 -6.051 1.00 0.00 H new ATOM 0 HD12 ILE A 124 -4.495 2.767 -4.660 1.00 0.00 H new ATOM 0 HD13 ILE A 124 -3.317 4.029 -5.095 1.00 0.00 H new ATOM 1837 N PHE A 125 -3.007 -0.437 -2.530 1.00 0.00 N ATOM 1838 CA PHE A 125 -2.387 -1.756 -2.589 1.00 0.00 C ATOM 1839 C PHE A 125 -1.478 -1.877 -3.808 1.00 0.00 C ATOM 1840 O PHE A 125 -1.947 -1.893 -4.946 1.00 0.00 O ATOM 1841 CB PHE A 125 -3.461 -2.846 -2.625 1.00 0.00 C ATOM 1842 CG PHE A 125 -3.457 -3.731 -1.411 1.00 0.00 C ATOM 1843 CD1 PHE A 125 -4.137 -3.358 -0.263 1.00 0.00 C ATOM 1844 CD2 PHE A 125 -2.773 -4.936 -1.419 1.00 0.00 C ATOM 1845 CE1 PHE A 125 -4.135 -4.170 0.855 1.00 0.00 C ATOM 1846 CE2 PHE A 125 -2.767 -5.752 -0.304 1.00 0.00 C ATOM 1847 CZ PHE A 125 -3.448 -5.368 0.835 1.00 0.00 C ATOM 0 H PHE A 125 -3.828 -0.329 -3.126 1.00 0.00 H new ATOM 0 HA PHE A 125 -1.779 -1.885 -1.693 1.00 0.00 H new ATOM 0 HB2 PHE A 125 -4.440 -2.377 -2.720 1.00 0.00 H new ATOM 0 HB3 PHE A 125 -3.314 -3.460 -3.513 1.00 0.00 H new ATOM 0 HD1 PHE A 125 -4.675 -2.422 -0.242 1.00 0.00 H new ATOM 0 HD2 PHE A 125 -2.239 -5.241 -2.307 1.00 0.00 H new ATOM 0 HE1 PHE A 125 -4.670 -3.868 1.743 1.00 0.00 H new ATOM 0 HE2 PHE A 125 -2.230 -6.689 -0.323 1.00 0.00 H new ATOM 0 HZ PHE A 125 -3.443 -6.003 1.708 1.00 0.00 H new ATOM 1857 N THR A 126 -0.174 -1.963 -3.561 1.00 0.00 N ATOM 1858 CA THR A 126 0.800 -2.083 -4.637 1.00 0.00 C ATOM 1859 C THR A 126 1.917 -3.049 -4.254 1.00 0.00 C ATOM 1860 O THR A 126 1.996 -3.499 -3.111 1.00 0.00 O ATOM 1861 CB THR A 126 1.390 -0.713 -4.977 1.00 0.00 C ATOM 1862 OG1 THR A 126 2.383 -0.828 -5.980 1.00 0.00 O ATOM 1863 CG2 THR A 126 2.018 -0.020 -3.786 1.00 0.00 C ATOM 0 H THR A 126 0.231 -1.952 -2.625 1.00 0.00 H new ATOM 0 HA THR A 126 0.287 -2.477 -5.514 1.00 0.00 H new ATOM 0 HB THR A 126 0.548 -0.114 -5.324 1.00 0.00 H new ATOM 0 HG1 THR A 126 2.746 0.059 -6.184 1.00 0.00 H new ATOM 0 HG21 THR A 126 2.417 0.946 -4.096 1.00 0.00 H new ATOM 0 HG22 THR A 126 1.264 0.130 -3.013 1.00 0.00 H new ATOM 0 HG23 THR A 126 2.825 -0.636 -3.391 1.00 0.00 H new ATOM 1871 N ARG A 127 2.778 -3.363 -5.216 1.00 0.00 N ATOM 1872 CA ARG A 127 3.890 -4.275 -4.979 1.00 0.00 C ATOM 1873 C ARG A 127 5.044 -3.556 -4.283 1.00 0.00 C ATOM 1874 O ARG A 127 5.343 -2.403 -4.594 1.00 0.00 O ATOM 1875 CB ARG A 127 4.372 -4.878 -6.300 1.00 0.00 C ATOM 1876 CG ARG A 127 3.350 -5.787 -6.963 1.00 0.00 C ATOM 1877 CD ARG A 127 3.850 -6.306 -8.302 1.00 0.00 C ATOM 1878 NE ARG A 127 3.557 -7.726 -8.483 1.00 0.00 N ATOM 1879 CZ ARG A 127 2.371 -8.197 -8.859 1.00 0.00 C ATOM 1880 NH1 ARG A 127 1.362 -7.365 -9.090 1.00 0.00 N ATOM 1881 NH2 ARG A 127 2.191 -9.502 -9.004 1.00 0.00 N ATOM 0 H ARG A 127 2.727 -2.999 -6.167 1.00 0.00 H new ATOM 0 HA ARG A 127 3.539 -5.076 -4.328 1.00 0.00 H new ATOM 0 HB2 ARG A 127 4.627 -4.071 -6.986 1.00 0.00 H new ATOM 0 HB3 ARG A 127 5.286 -5.444 -6.119 1.00 0.00 H new ATOM 0 HG2 ARG A 127 3.129 -6.628 -6.306 1.00 0.00 H new ATOM 0 HG3 ARG A 127 2.417 -5.242 -7.108 1.00 0.00 H new ATOM 0 HD2 ARG A 127 3.388 -5.735 -9.107 1.00 0.00 H new ATOM 0 HD3 ARG A 127 4.926 -6.146 -8.374 1.00 0.00 H new ATOM 0 HE ARG A 127 4.306 -8.396 -8.311 1.00 0.00 H new ATOM 0 HH11 ARG A 127 1.494 -6.360 -8.979 1.00 0.00 H new ATOM 0 HH12 ARG A 127 0.455 -7.731 -9.378 1.00 0.00 H new ATOM 0 HH21 ARG A 127 2.962 -10.146 -8.827 1.00 0.00 H new ATOM 0 HH22 ARG A 127 1.281 -9.862 -9.292 1.00 0.00 H new ATOM 1895 N PRO A 128 5.714 -4.228 -3.328 1.00 0.00 N ATOM 1896 CA PRO A 128 6.840 -3.638 -2.595 1.00 0.00 C ATOM 1897 C PRO A 128 7.957 -3.181 -3.527 1.00 0.00 C ATOM 1898 O PRO A 128 8.609 -2.167 -3.280 1.00 0.00 O ATOM 1899 CB PRO A 128 7.331 -4.780 -1.698 1.00 0.00 C ATOM 1900 CG PRO A 128 6.173 -5.711 -1.587 1.00 0.00 C ATOM 1901 CD PRO A 128 5.430 -5.606 -2.889 1.00 0.00 C ATOM 0 HA PRO A 128 6.540 -2.747 -2.043 1.00 0.00 H new ATOM 0 HB2 PRO A 128 8.197 -5.278 -2.133 1.00 0.00 H new ATOM 0 HB3 PRO A 128 7.635 -4.410 -0.719 1.00 0.00 H new ATOM 0 HG2 PRO A 128 6.509 -6.733 -1.411 1.00 0.00 H new ATOM 0 HG3 PRO A 128 5.532 -5.438 -0.749 1.00 0.00 H new ATOM 0 HD2 PRO A 128 5.782 -6.340 -3.614 1.00 0.00 H new ATOM 0 HD3 PRO A 128 4.361 -5.775 -2.758 1.00 0.00 H new ATOM 1909 N SER A 129 8.171 -3.938 -4.598 1.00 0.00 N ATOM 1910 CA SER A 129 9.209 -3.616 -5.569 1.00 0.00 C ATOM 1911 C SER A 129 8.945 -2.264 -6.227 1.00 0.00 C ATOM 1912 O SER A 129 9.873 -1.586 -6.667 1.00 0.00 O ATOM 1913 CB SER A 129 9.295 -4.708 -6.637 1.00 0.00 C ATOM 1914 OG SER A 129 8.019 -4.986 -7.185 1.00 0.00 O ATOM 0 H SER A 129 7.638 -4.780 -4.815 1.00 0.00 H new ATOM 0 HA SER A 129 10.159 -3.560 -5.038 1.00 0.00 H new ATOM 0 HB2 SER A 129 9.974 -4.393 -7.430 1.00 0.00 H new ATOM 0 HB3 SER A 129 9.713 -5.616 -6.201 1.00 0.00 H new ATOM 0 HG SER A 129 8.101 -5.686 -7.866 1.00 0.00 H new ATOM 1920 N LYS A 130 7.674 -1.879 -6.292 1.00 0.00 N ATOM 1921 CA LYS A 130 7.292 -0.608 -6.898 1.00 0.00 C ATOM 1922 C LYS A 130 7.648 0.559 -5.982 1.00 0.00 C ATOM 1923 O LYS A 130 7.913 1.667 -6.447 1.00 0.00 O ATOM 1924 CB LYS A 130 5.793 -0.594 -7.203 1.00 0.00 C ATOM 1925 CG LYS A 130 5.455 -1.048 -8.614 1.00 0.00 C ATOM 1926 CD LYS A 130 5.339 0.133 -9.565 1.00 0.00 C ATOM 1927 CE LYS A 130 4.617 -0.253 -10.846 1.00 0.00 C ATOM 1928 NZ LYS A 130 4.761 0.788 -11.901 1.00 0.00 N ATOM 0 H LYS A 130 6.893 -2.428 -5.933 1.00 0.00 H new ATOM 0 HA LYS A 130 7.846 -0.497 -7.830 1.00 0.00 H new ATOM 0 HB2 LYS A 130 5.280 -1.239 -6.490 1.00 0.00 H new ATOM 0 HB3 LYS A 130 5.410 0.415 -7.053 1.00 0.00 H new ATOM 0 HG2 LYS A 130 6.225 -1.731 -8.972 1.00 0.00 H new ATOM 0 HG3 LYS A 130 4.517 -1.603 -8.604 1.00 0.00 H new ATOM 0 HD2 LYS A 130 4.803 0.945 -9.074 1.00 0.00 H new ATOM 0 HD3 LYS A 130 6.334 0.507 -9.805 1.00 0.00 H new ATOM 0 HE2 LYS A 130 5.012 -1.200 -11.214 1.00 0.00 H new ATOM 0 HE3 LYS A 130 3.560 -0.410 -10.633 1.00 0.00 H new ATOM 0 HZ1 LYS A 130 4.254 0.486 -12.758 1.00 0.00 H new ATOM 0 HZ2 LYS A 130 4.361 1.685 -11.560 1.00 0.00 H new ATOM 0 HZ3 LYS A 130 5.768 0.920 -12.123 1.00 0.00 H new ATOM 1942 N LEU A 131 7.652 0.301 -4.678 1.00 0.00 N ATOM 1943 CA LEU A 131 7.975 1.329 -3.697 1.00 0.00 C ATOM 1944 C LEU A 131 9.425 1.781 -3.841 1.00 0.00 C ATOM 1945 O LEU A 131 10.285 1.014 -4.275 1.00 0.00 O ATOM 1946 CB LEU A 131 7.729 0.806 -2.281 1.00 0.00 C ATOM 1947 CG LEU A 131 6.417 0.042 -2.089 1.00 0.00 C ATOM 1948 CD1 LEU A 131 6.223 -0.325 -0.626 1.00 0.00 C ATOM 1949 CD2 LEU A 131 5.242 0.866 -2.594 1.00 0.00 C ATOM 0 H LEU A 131 7.435 -0.611 -4.277 1.00 0.00 H new ATOM 0 HA LEU A 131 7.327 2.186 -3.878 1.00 0.00 H new ATOM 0 HB2 LEU A 131 8.556 0.152 -2.003 1.00 0.00 H new ATOM 0 HB3 LEU A 131 7.744 1.650 -1.591 1.00 0.00 H new ATOM 0 HG LEU A 131 6.466 -0.879 -2.670 1.00 0.00 H new ATOM 0 HD11 LEU A 131 5.285 -0.868 -0.508 1.00 0.00 H new ATOM 0 HD12 LEU A 131 7.050 -0.954 -0.296 1.00 0.00 H new ATOM 0 HD13 LEU A 131 6.195 0.583 -0.024 1.00 0.00 H new ATOM 0 HD21 LEU A 131 4.317 0.307 -2.450 1.00 0.00 H new ATOM 0 HD22 LEU A 131 5.190 1.803 -2.040 1.00 0.00 H new ATOM 0 HD23 LEU A 131 5.376 1.078 -3.655 1.00 0.00 H new ATOM 1961 N THR A 132 9.689 3.032 -3.474 1.00 0.00 N ATOM 1962 CA THR A 132 11.036 3.585 -3.564 1.00 0.00 C ATOM 1963 C THR A 132 11.294 4.574 -2.431 1.00 0.00 C ATOM 1964 O THR A 132 10.365 5.186 -1.905 1.00 0.00 O ATOM 1965 CB THR A 132 11.236 4.276 -4.914 1.00 0.00 C ATOM 1966 OG1 THR A 132 10.557 5.518 -4.948 1.00 0.00 O ATOM 1967 CG2 THR A 132 10.746 3.452 -6.085 1.00 0.00 C ATOM 0 H THR A 132 8.989 3.680 -3.112 1.00 0.00 H new ATOM 0 HA THR A 132 11.747 2.763 -3.475 1.00 0.00 H new ATOM 0 HB THR A 132 12.313 4.413 -5.012 1.00 0.00 H new ATOM 0 HG1 THR A 132 11.036 6.136 -5.539 1.00 0.00 H new ATOM 0 HG21 THR A 132 10.917 3.999 -7.012 1.00 0.00 H new ATOM 0 HG22 THR A 132 11.287 2.507 -6.116 1.00 0.00 H new ATOM 0 HG23 THR A 132 9.680 3.256 -5.971 1.00 0.00 H new ATOM 1975 N ARG A 133 12.562 4.723 -2.061 1.00 0.00 N ATOM 1976 CA ARG A 133 12.943 5.636 -0.990 1.00 0.00 C ATOM 1977 C ARG A 133 13.160 7.046 -1.530 1.00 0.00 C ATOM 1978 O ARG A 133 14.005 7.266 -2.399 1.00 0.00 O ATOM 1979 CB ARG A 133 14.212 5.138 -0.294 1.00 0.00 C ATOM 1980 CG ARG A 133 14.046 4.942 1.205 1.00 0.00 C ATOM 1981 CD ARG A 133 15.081 5.730 1.994 1.00 0.00 C ATOM 1982 NE ARG A 133 16.447 5.431 1.564 1.00 0.00 N ATOM 1983 CZ ARG A 133 17.162 6.205 0.748 1.00 0.00 C ATOM 1984 NH1 ARG A 133 16.648 7.325 0.254 1.00 0.00 N ATOM 1985 NH2 ARG A 133 18.399 5.853 0.423 1.00 0.00 N ATOM 0 H ARG A 133 13.343 4.223 -2.487 1.00 0.00 H new ATOM 0 HA ARG A 133 12.130 5.667 -0.264 1.00 0.00 H new ATOM 0 HB2 ARG A 133 14.517 4.193 -0.744 1.00 0.00 H new ATOM 0 HB3 ARG A 133 15.018 5.850 -0.472 1.00 0.00 H new ATOM 0 HG2 ARG A 133 13.045 5.254 1.504 1.00 0.00 H new ATOM 0 HG3 ARG A 133 14.135 3.883 1.445 1.00 0.00 H new ATOM 0 HD2 ARG A 133 14.890 6.797 1.877 1.00 0.00 H new ATOM 0 HD3 ARG A 133 14.978 5.502 3.055 1.00 0.00 H new ATOM 0 HE ARG A 133 16.880 4.575 1.911 1.00 0.00 H new ATOM 0 HH11 ARG A 133 15.697 7.601 0.498 1.00 0.00 H new ATOM 0 HH12 ARG A 133 17.204 7.910 -0.370 1.00 0.00 H new ATOM 0 HH21 ARG A 133 18.799 4.993 0.797 1.00 0.00 H new ATOM 0 HH22 ARG A 133 18.950 6.443 -0.201 1.00 0.00 H new ATOM 1999 N LYS A 134 12.393 7.999 -1.011 1.00 0.00 N ATOM 2000 CA LYS A 134 12.502 9.389 -1.440 1.00 0.00 C ATOM 2001 C LYS A 134 12.205 9.521 -2.932 1.00 0.00 C ATOM 2002 O LYS A 134 12.213 8.534 -3.667 1.00 0.00 O ATOM 2003 CB LYS A 134 13.902 9.929 -1.133 1.00 0.00 C ATOM 2004 CG LYS A 134 13.897 11.138 -0.211 1.00 0.00 C ATOM 2005 CD LYS A 134 13.211 10.830 1.112 1.00 0.00 C ATOM 2006 CE LYS A 134 14.078 11.224 2.297 1.00 0.00 C ATOM 2007 NZ LYS A 134 15.124 10.203 2.582 1.00 0.00 N ATOM 0 H LYS A 134 11.688 7.834 -0.292 1.00 0.00 H new ATOM 0 HA LYS A 134 11.766 9.975 -0.889 1.00 0.00 H new ATOM 0 HB2 LYS A 134 14.496 9.137 -0.677 1.00 0.00 H new ATOM 0 HB3 LYS A 134 14.392 10.198 -2.069 1.00 0.00 H new ATOM 0 HG2 LYS A 134 14.922 11.458 -0.024 1.00 0.00 H new ATOM 0 HG3 LYS A 134 13.388 11.968 -0.701 1.00 0.00 H new ATOM 0 HD2 LYS A 134 12.261 11.362 1.163 1.00 0.00 H new ATOM 0 HD3 LYS A 134 12.983 9.765 1.165 1.00 0.00 H new ATOM 0 HE2 LYS A 134 14.553 12.184 2.096 1.00 0.00 H new ATOM 0 HE3 LYS A 134 13.450 11.357 3.178 1.00 0.00 H new ATOM 0 HZ1 LYS A 134 15.694 10.508 3.396 1.00 0.00 H new ATOM 0 HZ2 LYS A 134 14.670 9.292 2.798 1.00 0.00 H new ATOM 0 HZ3 LYS A 134 15.739 10.094 1.750 1.00 0.00 H new