USER MOD reduce.3.24.130724 H: found=0, std=0, add=552, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 553 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 74 ASN : amide:sc= -0.0696 X(o=-0.07,f=0) USER MOD Single : A 76 ASN : amide:sc= -1.47 K(o=-1.5,f=-0.34) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc=-0.000422 (180deg=-0.000422) USER MOD Single : A 82 GLN : amide:sc= -0.0224 K(o=-0.022,f=-1.1) USER MOD Single : A 87 THR OG1 : rot 57:sc= 1.05 USER MOD Single : A 88 GLN : amide:sc=-0.00269 X(o=-0.0027,f=0) USER MOD Single : A 93 GLN : amide:sc= -0.319 X(o=-0.32,f=-0.084) USER MOD Single : A 105 LYS NZ :NH3+ -161:sc= -0.434 (180deg=-1.07) USER MOD Single : A 106 ASN : amide:sc=-0.00958 K(o=-0.0096,f=-0.89) USER MOD Single : A 109 SER OG : rot -2:sc= 0.652 USER MOD Single : A 115 TYR OH : rot 0:sc= 0 USER MOD Single : A 117 GLN : amide:sc= 0.664 K(o=0.66,f=-4!) USER MOD Single : A 118 CYS SG : rot -139:sc= 0.68 USER MOD Single : A 122 LYS NZ :NH3+ 146:sc= 1.19 (180deg=0.0109) USER MOD Single : A 126 THR OG1 : rot 180:sc= -0.139 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 -102:sc= -0.951 USER MOD Single : A 134 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 915 N PHE A 65 11.736 -3.426 3.241 1.00 0.00 N ATOM 916 CA PHE A 65 10.585 -2.670 3.720 1.00 0.00 C ATOM 917 C PHE A 65 9.987 -3.318 4.964 1.00 0.00 C ATOM 918 O PHE A 65 10.089 -4.530 5.155 1.00 0.00 O ATOM 919 CB PHE A 65 9.524 -2.568 2.623 1.00 0.00 C ATOM 920 CG PHE A 65 10.049 -2.007 1.332 1.00 0.00 C ATOM 921 CD1 PHE A 65 10.567 -0.723 1.279 1.00 0.00 C ATOM 922 CD2 PHE A 65 10.024 -2.764 0.172 1.00 0.00 C ATOM 923 CE1 PHE A 65 11.051 -0.204 0.094 1.00 0.00 C ATOM 924 CE2 PHE A 65 10.506 -2.250 -1.017 1.00 0.00 C ATOM 925 CZ PHE A 65 11.021 -0.969 -1.056 1.00 0.00 C ATOM 0 HA PHE A 65 10.924 -1.668 3.983 1.00 0.00 H new ATOM 0 HB2 PHE A 65 9.108 -3.558 2.437 1.00 0.00 H new ATOM 0 HB3 PHE A 65 8.706 -1.940 2.977 1.00 0.00 H new ATOM 0 HD1 PHE A 65 10.593 -0.121 2.175 1.00 0.00 H new ATOM 0 HD2 PHE A 65 9.624 -3.767 0.197 1.00 0.00 H new ATOM 0 HE1 PHE A 65 11.452 0.798 0.066 1.00 0.00 H new ATOM 0 HE2 PHE A 65 10.480 -2.850 -1.915 1.00 0.00 H new ATOM 0 HZ PHE A 65 11.400 -0.566 -1.984 1.00 0.00 H new ATOM 935 N ARG A 66 9.360 -2.504 5.806 1.00 0.00 N ATOM 936 CA ARG A 66 8.745 -2.996 7.032 1.00 0.00 C ATOM 937 C ARG A 66 7.531 -2.154 7.408 1.00 0.00 C ATOM 938 O ARG A 66 7.470 -0.963 7.101 1.00 0.00 O ATOM 939 CB ARG A 66 9.761 -2.989 8.176 1.00 0.00 C ATOM 940 CG ARG A 66 10.534 -4.292 8.311 1.00 0.00 C ATOM 941 CD ARG A 66 10.417 -4.870 9.712 1.00 0.00 C ATOM 942 NE ARG A 66 9.195 -5.654 9.881 1.00 0.00 N ATOM 943 CZ ARG A 66 8.673 -5.969 11.064 1.00 0.00 C ATOM 944 NH1 ARG A 66 9.261 -5.568 12.184 1.00 0.00 N ATOM 945 NH2 ARG A 66 7.559 -6.685 11.127 1.00 0.00 N ATOM 0 H ARG A 66 9.264 -1.499 5.661 1.00 0.00 H new ATOM 0 HA ARG A 66 8.413 -4.019 6.857 1.00 0.00 H new ATOM 0 HB2 ARG A 66 10.466 -2.172 8.020 1.00 0.00 H new ATOM 0 HB3 ARG A 66 9.241 -2.786 9.112 1.00 0.00 H new ATOM 0 HG2 ARG A 66 10.159 -5.015 7.586 1.00 0.00 H new ATOM 0 HG3 ARG A 66 11.584 -4.119 8.075 1.00 0.00 H new ATOM 0 HD2 ARG A 66 11.283 -5.499 9.918 1.00 0.00 H new ATOM 0 HD3 ARG A 66 10.431 -4.060 10.441 1.00 0.00 H new ATOM 0 HE ARG A 66 8.714 -5.979 9.042 1.00 0.00 H new ATOM 0 HH11 ARG A 66 10.117 -5.016 12.141 1.00 0.00 H new ATOM 0 HH12 ARG A 66 8.857 -5.812 13.088 1.00 0.00 H new ATOM 0 HH21 ARG A 66 7.102 -6.994 10.269 1.00 0.00 H new ATOM 0 HH22 ARG A 66 7.159 -6.927 12.033 1.00 0.00 H new ATOM 959 N VAL A 67 6.566 -2.779 8.074 1.00 0.00 N ATOM 960 CA VAL A 67 5.354 -2.086 8.492 1.00 0.00 C ATOM 961 C VAL A 67 5.672 -0.966 9.477 1.00 0.00 C ATOM 962 O VAL A 67 6.143 -1.218 10.587 1.00 0.00 O ATOM 963 CB VAL A 67 4.348 -3.056 9.141 1.00 0.00 C ATOM 964 CG1 VAL A 67 3.019 -2.360 9.390 1.00 0.00 C ATOM 965 CG2 VAL A 67 4.159 -4.289 8.273 1.00 0.00 C ATOM 0 H VAL A 67 6.600 -3.764 8.336 1.00 0.00 H new ATOM 0 HA VAL A 67 4.908 -1.659 7.594 1.00 0.00 H new ATOM 0 HB VAL A 67 4.749 -3.376 10.103 1.00 0.00 H new ATOM 0 HG11 VAL A 67 2.322 -3.061 9.849 1.00 0.00 H new ATOM 0 HG12 VAL A 67 3.172 -1.511 10.057 1.00 0.00 H new ATOM 0 HG13 VAL A 67 2.610 -2.008 8.443 1.00 0.00 H new ATOM 0 HG21 VAL A 67 3.445 -4.962 8.748 1.00 0.00 H new ATOM 0 HG22 VAL A 67 3.782 -3.991 7.295 1.00 0.00 H new ATOM 0 HG23 VAL A 67 5.115 -4.799 8.153 1.00 0.00 H new ATOM 975 N GLY A 68 5.413 0.270 9.064 1.00 0.00 N ATOM 976 CA GLY A 68 5.678 1.410 9.922 1.00 0.00 C ATOM 977 C GLY A 68 6.861 2.231 9.447 1.00 0.00 C ATOM 978 O GLY A 68 7.606 2.785 10.255 1.00 0.00 O ATOM 0 H GLY A 68 5.024 0.503 8.150 1.00 0.00 H new ATOM 0 HA2 GLY A 68 4.792 2.044 9.962 1.00 0.00 H new ATOM 0 HA3 GLY A 68 5.866 1.061 10.937 1.00 0.00 H new ATOM 982 N GLU A 69 7.033 2.309 8.131 1.00 0.00 N ATOM 983 CA GLU A 69 8.133 3.068 7.548 1.00 0.00 C ATOM 984 C GLU A 69 7.646 3.926 6.384 1.00 0.00 C ATOM 985 O GLU A 69 6.598 3.657 5.798 1.00 0.00 O ATOM 986 CB GLU A 69 9.237 2.122 7.073 1.00 0.00 C ATOM 987 CG GLU A 69 9.972 1.426 8.208 1.00 0.00 C ATOM 988 CD GLU A 69 11.479 1.557 8.095 1.00 0.00 C ATOM 989 OE1 GLU A 69 11.993 2.678 8.293 1.00 0.00 O ATOM 990 OE2 GLU A 69 12.144 0.539 7.812 1.00 0.00 O ATOM 0 H GLU A 69 6.425 1.856 7.449 1.00 0.00 H new ATOM 0 HA GLU A 69 8.535 3.727 8.318 1.00 0.00 H new ATOM 0 HB2 GLU A 69 8.801 1.368 6.417 1.00 0.00 H new ATOM 0 HB3 GLU A 69 9.955 2.685 6.477 1.00 0.00 H new ATOM 0 HG2 GLU A 69 9.645 1.846 9.159 1.00 0.00 H new ATOM 0 HG3 GLU A 69 9.703 0.370 8.217 1.00 0.00 H new ATOM 997 N ARG A 70 8.415 4.959 6.055 1.00 0.00 N ATOM 998 CA ARG A 70 8.063 5.856 4.960 1.00 0.00 C ATOM 999 C ARG A 70 8.502 5.277 3.620 1.00 0.00 C ATOM 1000 O ARG A 70 9.611 4.756 3.491 1.00 0.00 O ATOM 1001 CB ARG A 70 8.704 7.228 5.173 1.00 0.00 C ATOM 1002 CG ARG A 70 7.941 8.365 4.512 1.00 0.00 C ATOM 1003 CD ARG A 70 7.131 9.158 5.525 1.00 0.00 C ATOM 1004 NE ARG A 70 7.950 10.137 6.236 1.00 0.00 N ATOM 1005 CZ ARG A 70 8.356 11.288 5.706 1.00 0.00 C ATOM 1006 NH1 ARG A 70 8.019 11.610 4.463 1.00 0.00 N ATOM 1007 NH2 ARG A 70 9.101 12.120 6.420 1.00 0.00 N ATOM 0 H ARG A 70 9.286 5.196 6.531 1.00 0.00 H new ATOM 0 HA ARG A 70 6.979 5.968 4.948 1.00 0.00 H new ATOM 0 HB2 ARG A 70 8.777 7.424 6.243 1.00 0.00 H new ATOM 0 HB3 ARG A 70 9.722 7.209 4.783 1.00 0.00 H new ATOM 0 HG2 ARG A 70 8.642 9.029 4.006 1.00 0.00 H new ATOM 0 HG3 ARG A 70 7.276 7.962 3.748 1.00 0.00 H new ATOM 0 HD2 ARG A 70 6.315 9.670 5.015 1.00 0.00 H new ATOM 0 HD3 ARG A 70 6.679 8.474 6.243 1.00 0.00 H new ATOM 0 HE ARG A 70 8.227 9.926 7.195 1.00 0.00 H new ATOM 0 HH11 ARG A 70 7.446 10.974 3.909 1.00 0.00 H new ATOM 0 HH12 ARG A 70 8.333 12.494 4.062 1.00 0.00 H new ATOM 0 HH21 ARG A 70 9.363 11.878 7.376 1.00 0.00 H new ATOM 0 HH22 ARG A 70 9.412 13.002 6.014 1.00 0.00 H new ATOM 1021 N VAL A 71 7.627 5.371 2.625 1.00 0.00 N ATOM 1022 CA VAL A 71 7.926 4.856 1.294 1.00 0.00 C ATOM 1023 C VAL A 71 7.221 5.672 0.215 1.00 0.00 C ATOM 1024 O VAL A 71 6.295 6.431 0.502 1.00 0.00 O ATOM 1025 CB VAL A 71 7.509 3.379 1.157 1.00 0.00 C ATOM 1026 CG1 VAL A 71 8.389 2.493 2.025 1.00 0.00 C ATOM 1027 CG2 VAL A 71 6.042 3.202 1.516 1.00 0.00 C ATOM 0 H VAL A 71 6.705 5.799 2.715 1.00 0.00 H new ATOM 0 HA VAL A 71 9.005 4.937 1.160 1.00 0.00 H new ATOM 0 HB VAL A 71 7.643 3.078 0.118 1.00 0.00 H new ATOM 0 HG11 VAL A 71 8.080 1.454 1.915 1.00 0.00 H new ATOM 0 HG12 VAL A 71 9.429 2.597 1.714 1.00 0.00 H new ATOM 0 HG13 VAL A 71 8.290 2.793 3.068 1.00 0.00 H new ATOM 0 HG21 VAL A 71 5.766 2.152 1.413 1.00 0.00 H new ATOM 0 HG22 VAL A 71 5.878 3.521 2.545 1.00 0.00 H new ATOM 0 HG23 VAL A 71 5.428 3.806 0.847 1.00 0.00 H new ATOM 1037 N TRP A 72 7.669 5.513 -1.026 1.00 0.00 N ATOM 1038 CA TRP A 72 7.084 6.237 -2.150 1.00 0.00 C ATOM 1039 C TRP A 72 6.518 5.271 -3.184 1.00 0.00 C ATOM 1040 O TRP A 72 7.266 4.593 -3.889 1.00 0.00 O ATOM 1041 CB TRP A 72 8.134 7.139 -2.803 1.00 0.00 C ATOM 1042 CG TRP A 72 8.169 8.523 -2.231 1.00 0.00 C ATOM 1043 CD1 TRP A 72 7.784 9.677 -2.850 1.00 0.00 C ATOM 1044 CD2 TRP A 72 8.619 8.900 -0.924 1.00 0.00 C ATOM 1045 NE1 TRP A 72 7.966 10.748 -2.010 1.00 0.00 N ATOM 1046 CE2 TRP A 72 8.478 10.296 -0.821 1.00 0.00 C ATOM 1047 CE3 TRP A 72 9.128 8.192 0.168 1.00 0.00 C ATOM 1048 CZ2 TRP A 72 8.827 10.997 0.331 1.00 0.00 C ATOM 1049 CZ3 TRP A 72 9.474 8.888 1.311 1.00 0.00 C ATOM 1050 CH2 TRP A 72 9.322 10.278 1.385 1.00 0.00 C ATOM 0 H TRP A 72 8.435 4.889 -1.279 1.00 0.00 H new ATOM 0 HA TRP A 72 6.269 6.853 -1.769 1.00 0.00 H new ATOM 0 HB2 TRP A 72 9.117 6.682 -2.688 1.00 0.00 H new ATOM 0 HB3 TRP A 72 7.934 7.201 -3.873 1.00 0.00 H new ATOM 0 HD1 TRP A 72 7.393 9.739 -3.855 1.00 0.00 H new ATOM 0 HE1 TRP A 72 7.755 11.720 -2.234 1.00 0.00 H new ATOM 0 HE3 TRP A 72 9.249 7.120 0.120 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 8.711 12.069 0.390 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 9.868 8.351 2.161 1.00 0.00 H new ATOM 0 HH2 TRP A 72 9.601 10.793 2.292 1.00 0.00 H new ATOM 1061 N VAL A 73 5.192 5.214 -3.276 1.00 0.00 N ATOM 1062 CA VAL A 73 4.532 4.332 -4.232 1.00 0.00 C ATOM 1063 C VAL A 73 4.650 4.883 -5.648 1.00 0.00 C ATOM 1064 O VAL A 73 4.372 6.057 -5.893 1.00 0.00 O ATOM 1065 CB VAL A 73 3.041 4.135 -3.890 1.00 0.00 C ATOM 1066 CG1 VAL A 73 2.473 2.946 -4.652 1.00 0.00 C ATOM 1067 CG2 VAL A 73 2.851 3.957 -2.390 1.00 0.00 C ATOM 0 H VAL A 73 4.556 5.767 -2.702 1.00 0.00 H new ATOM 0 HA VAL A 73 5.035 3.367 -4.172 1.00 0.00 H new ATOM 0 HB VAL A 73 2.497 5.029 -4.195 1.00 0.00 H new ATOM 0 HG11 VAL A 73 1.420 2.821 -4.399 1.00 0.00 H new ATOM 0 HG12 VAL A 73 2.571 3.120 -5.724 1.00 0.00 H new ATOM 0 HG13 VAL A 73 3.021 2.044 -4.380 1.00 0.00 H new ATOM 0 HG21 VAL A 73 1.792 3.820 -2.171 1.00 0.00 H new ATOM 0 HG22 VAL A 73 3.407 3.082 -2.054 1.00 0.00 H new ATOM 0 HG23 VAL A 73 3.217 4.842 -1.869 1.00 0.00 H new ATOM 1077 N ASN A 74 5.068 4.031 -6.577 1.00 0.00 N ATOM 1078 CA ASN A 74 5.227 4.437 -7.969 1.00 0.00 C ATOM 1079 C ASN A 74 6.307 5.511 -8.105 1.00 0.00 C ATOM 1080 O ASN A 74 6.352 6.234 -9.100 1.00 0.00 O ATOM 1081 CB ASN A 74 3.899 4.953 -8.529 1.00 0.00 C ATOM 1082 CG ASN A 74 3.431 4.160 -9.733 1.00 0.00 C ATOM 1083 OD1 ASN A 74 2.303 3.668 -9.767 1.00 0.00 O ATOM 1084 ND2 ASN A 74 4.299 4.032 -10.731 1.00 0.00 N ATOM 0 H ASN A 74 5.303 3.056 -6.392 1.00 0.00 H new ATOM 0 HA ASN A 74 5.537 3.563 -8.542 1.00 0.00 H new ATOM 0 HB2 ASN A 74 3.138 4.908 -7.750 1.00 0.00 H new ATOM 0 HB3 ASN A 74 4.008 6.001 -8.808 1.00 0.00 H new ATOM 0 HD21 ASN A 74 4.041 3.509 -11.568 1.00 0.00 H new ATOM 0 HD22 ASN A 74 5.224 4.457 -10.660 1.00 0.00 H new ATOM 1091 N GLY A 75 7.176 5.606 -7.101 1.00 0.00 N ATOM 1092 CA GLY A 75 8.242 6.590 -7.133 1.00 0.00 C ATOM 1093 C GLY A 75 7.726 8.016 -7.103 1.00 0.00 C ATOM 1094 O GLY A 75 8.321 8.909 -7.706 1.00 0.00 O ATOM 0 H GLY A 75 7.160 5.019 -6.267 1.00 0.00 H new ATOM 0 HA2 GLY A 75 8.904 6.430 -6.282 1.00 0.00 H new ATOM 0 HA3 GLY A 75 8.839 6.443 -8.033 1.00 0.00 H new ATOM 1098 N ASN A 76 6.618 8.234 -6.398 1.00 0.00 N ATOM 1099 CA ASN A 76 6.029 9.565 -6.294 1.00 0.00 C ATOM 1100 C ASN A 76 4.751 9.536 -5.457 1.00 0.00 C ATOM 1101 O ASN A 76 3.730 10.102 -5.848 1.00 0.00 O ATOM 1102 CB ASN A 76 5.727 10.125 -7.686 1.00 0.00 C ATOM 1103 CG ASN A 76 4.912 9.165 -8.532 1.00 0.00 C ATOM 1104 OD1 ASN A 76 3.748 8.896 -8.237 1.00 0.00 O ATOM 1105 ND2 ASN A 76 5.522 8.644 -9.589 1.00 0.00 N ATOM 0 H ASN A 76 6.112 7.507 -5.892 1.00 0.00 H new ATOM 0 HA ASN A 76 6.751 10.213 -5.798 1.00 0.00 H new ATOM 0 HB2 ASN A 76 5.186 11.066 -7.586 1.00 0.00 H new ATOM 0 HB3 ASN A 76 6.664 10.348 -8.196 1.00 0.00 H new ATOM 0 HD21 ASN A 76 5.024 7.992 -10.195 1.00 0.00 H new ATOM 0 HD22 ASN A 76 6.489 8.896 -9.795 1.00 0.00 H new ATOM 1112 N LYS A 77 4.815 8.876 -4.305 1.00 0.00 N ATOM 1113 CA LYS A 77 3.662 8.777 -3.418 1.00 0.00 C ATOM 1114 C LYS A 77 4.094 8.435 -1.994 1.00 0.00 C ATOM 1115 O LYS A 77 4.090 7.268 -1.600 1.00 0.00 O ATOM 1116 CB LYS A 77 2.686 7.718 -3.932 1.00 0.00 C ATOM 1117 CG LYS A 77 1.962 8.123 -5.206 1.00 0.00 C ATOM 1118 CD LYS A 77 0.840 7.153 -5.541 1.00 0.00 C ATOM 1119 CE LYS A 77 0.203 7.481 -6.881 1.00 0.00 C ATOM 1120 NZ LYS A 77 -0.790 8.585 -6.769 1.00 0.00 N ATOM 0 H LYS A 77 5.652 8.403 -3.964 1.00 0.00 H new ATOM 0 HA LYS A 77 3.164 9.747 -3.404 1.00 0.00 H new ATOM 0 HB2 LYS A 77 3.231 6.791 -4.113 1.00 0.00 H new ATOM 0 HB3 LYS A 77 1.949 7.508 -3.157 1.00 0.00 H new ATOM 0 HG2 LYS A 77 1.554 9.127 -5.090 1.00 0.00 H new ATOM 0 HG3 LYS A 77 2.671 8.160 -6.033 1.00 0.00 H new ATOM 0 HD2 LYS A 77 1.231 6.136 -5.562 1.00 0.00 H new ATOM 0 HD3 LYS A 77 0.082 7.187 -4.758 1.00 0.00 H new ATOM 0 HE2 LYS A 77 0.979 7.762 -7.593 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -0.286 6.591 -7.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -1.201 8.778 -7.704 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -1.545 8.308 -6.109 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -0.318 9.442 -6.415 1.00 0.00 H new ATOM 1134 N PRO A 78 4.472 9.450 -1.198 1.00 0.00 N ATOM 1135 CA PRO A 78 4.906 9.248 0.190 1.00 0.00 C ATOM 1136 C PRO A 78 3.791 8.688 1.067 1.00 0.00 C ATOM 1137 O PRO A 78 2.646 9.134 0.992 1.00 0.00 O ATOM 1138 CB PRO A 78 5.300 10.654 0.657 1.00 0.00 C ATOM 1139 CG PRO A 78 4.583 11.581 -0.262 1.00 0.00 C ATOM 1140 CD PRO A 78 4.505 10.871 -1.584 1.00 0.00 C ATOM 0 HA PRO A 78 5.717 8.523 0.259 1.00 0.00 H new ATOM 0 HB2 PRO A 78 5.008 10.822 1.694 1.00 0.00 H new ATOM 0 HB3 PRO A 78 6.379 10.800 0.602 1.00 0.00 H new ATOM 0 HG2 PRO A 78 3.587 11.813 0.116 1.00 0.00 H new ATOM 0 HG3 PRO A 78 5.116 12.527 -0.357 1.00 0.00 H new ATOM 0 HD2 PRO A 78 3.615 11.158 -2.144 1.00 0.00 H new ATOM 0 HD3 PRO A 78 5.365 11.098 -2.215 1.00 0.00 H new ATOM 1148 N GLY A 79 4.134 7.711 1.899 1.00 0.00 N ATOM 1149 CA GLY A 79 3.151 7.107 2.779 1.00 0.00 C ATOM 1150 C GLY A 79 3.776 6.160 3.786 1.00 0.00 C ATOM 1151 O GLY A 79 4.999 6.033 3.852 1.00 0.00 O ATOM 0 H GLY A 79 5.075 7.326 1.980 1.00 0.00 H new ATOM 0 HA2 GLY A 79 2.612 7.892 3.309 1.00 0.00 H new ATOM 0 HA3 GLY A 79 2.418 6.565 2.182 1.00 0.00 H new ATOM 1155 N PHE A 80 2.936 5.495 4.572 1.00 0.00 N ATOM 1156 CA PHE A 80 3.412 4.556 5.580 1.00 0.00 C ATOM 1157 C PHE A 80 2.883 3.151 5.308 1.00 0.00 C ATOM 1158 O PHE A 80 1.708 2.970 4.990 1.00 0.00 O ATOM 1159 CB PHE A 80 2.985 5.013 6.976 1.00 0.00 C ATOM 1160 CG PHE A 80 3.374 6.431 7.287 1.00 0.00 C ATOM 1161 CD1 PHE A 80 2.574 7.487 6.881 1.00 0.00 C ATOM 1162 CD2 PHE A 80 4.538 6.706 7.985 1.00 0.00 C ATOM 1163 CE1 PHE A 80 2.929 8.792 7.166 1.00 0.00 C ATOM 1164 CE2 PHE A 80 4.899 8.009 8.273 1.00 0.00 C ATOM 1165 CZ PHE A 80 4.093 9.053 7.863 1.00 0.00 C ATOM 0 H PHE A 80 1.921 5.589 4.530 1.00 0.00 H new ATOM 0 HA PHE A 80 4.501 4.531 5.531 1.00 0.00 H new ATOM 0 HB2 PHE A 80 1.903 4.913 7.068 1.00 0.00 H new ATOM 0 HB3 PHE A 80 3.431 4.351 7.719 1.00 0.00 H new ATOM 0 HD1 PHE A 80 1.663 7.288 6.336 1.00 0.00 H new ATOM 0 HD2 PHE A 80 5.171 5.893 8.308 1.00 0.00 H new ATOM 0 HE1 PHE A 80 2.297 9.607 6.844 1.00 0.00 H new ATOM 0 HE2 PHE A 80 5.810 8.210 8.818 1.00 0.00 H new ATOM 0 HZ PHE A 80 4.372 10.072 8.087 1.00 0.00 H new ATOM 1175 N ILE A 81 3.759 2.160 5.436 1.00 0.00 N ATOM 1176 CA ILE A 81 3.381 0.771 5.206 1.00 0.00 C ATOM 1177 C ILE A 81 2.559 0.224 6.368 1.00 0.00 C ATOM 1178 O ILE A 81 2.872 0.474 7.533 1.00 0.00 O ATOM 1179 CB ILE A 81 4.618 -0.123 5.001 1.00 0.00 C ATOM 1180 CG1 ILE A 81 5.555 0.496 3.962 1.00 0.00 C ATOM 1181 CG2 ILE A 81 4.199 -1.523 4.579 1.00 0.00 C ATOM 1182 CD1 ILE A 81 6.926 -0.144 3.929 1.00 0.00 C ATOM 0 H ILE A 81 4.736 2.293 5.698 1.00 0.00 H new ATOM 0 HA ILE A 81 2.777 0.755 4.299 1.00 0.00 H new ATOM 0 HB ILE A 81 5.154 -0.197 5.947 1.00 0.00 H new ATOM 0 HG12 ILE A 81 5.099 0.410 2.976 1.00 0.00 H new ATOM 0 HG13 ILE A 81 5.664 1.560 4.171 1.00 0.00 H new ATOM 0 HG21 ILE A 81 5.086 -2.141 4.439 1.00 0.00 H new ATOM 0 HG22 ILE A 81 3.569 -1.963 5.352 1.00 0.00 H new ATOM 0 HG23 ILE A 81 3.642 -1.470 3.644 1.00 0.00 H new ATOM 0 HD11 ILE A 81 7.537 0.344 3.170 1.00 0.00 H new ATOM 0 HD12 ILE A 81 7.402 -0.035 4.904 1.00 0.00 H new ATOM 0 HD13 ILE A 81 6.828 -1.203 3.690 1.00 0.00 H new ATOM 1194 N GLN A 82 1.509 -0.522 6.044 1.00 0.00 N ATOM 1195 CA GLN A 82 0.642 -1.103 7.063 1.00 0.00 C ATOM 1196 C GLN A 82 0.519 -2.613 6.876 1.00 0.00 C ATOM 1197 O GLN A 82 0.599 -3.375 7.839 1.00 0.00 O ATOM 1198 CB GLN A 82 -0.743 -0.457 7.012 1.00 0.00 C ATOM 1199 CG GLN A 82 -0.707 1.062 7.056 1.00 0.00 C ATOM 1200 CD GLN A 82 -0.433 1.598 8.448 1.00 0.00 C ATOM 1201 OE1 GLN A 82 -0.826 0.994 9.447 1.00 0.00 O ATOM 1202 NE2 GLN A 82 0.243 2.738 8.520 1.00 0.00 N ATOM 0 H GLN A 82 1.237 -0.739 5.085 1.00 0.00 H new ATOM 0 HA GLN A 82 1.089 -0.911 8.038 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -1.249 -0.774 6.100 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -1.337 -0.823 7.850 1.00 0.00 H new ATOM 0 HG2 GLN A 82 0.062 1.424 6.373 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -1.659 1.455 6.700 1.00 0.00 H new ATOM 0 HE21 GLN A 82 0.549 3.204 7.666 1.00 0.00 H new ATOM 0 HE22 GLN A 82 0.456 3.148 9.429 1.00 0.00 H new ATOM 1211 N PHE A 83 0.325 -3.035 5.631 1.00 0.00 N ATOM 1212 CA PHE A 83 0.191 -4.454 5.319 1.00 0.00 C ATOM 1213 C PHE A 83 1.304 -4.913 4.383 1.00 0.00 C ATOM 1214 O PHE A 83 1.684 -4.197 3.456 1.00 0.00 O ATOM 1215 CB PHE A 83 -1.173 -4.729 4.682 1.00 0.00 C ATOM 1216 CG PHE A 83 -1.468 -6.192 4.507 1.00 0.00 C ATOM 1217 CD1 PHE A 83 -1.909 -6.957 5.575 1.00 0.00 C ATOM 1218 CD2 PHE A 83 -1.305 -6.800 3.273 1.00 0.00 C ATOM 1219 CE1 PHE A 83 -2.180 -8.302 5.416 1.00 0.00 C ATOM 1220 CE2 PHE A 83 -1.576 -8.146 3.108 1.00 0.00 C ATOM 1221 CZ PHE A 83 -2.014 -8.898 4.181 1.00 0.00 C ATOM 0 H PHE A 83 0.257 -2.416 4.823 1.00 0.00 H new ATOM 0 HA PHE A 83 0.270 -5.015 6.250 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -1.951 -4.281 5.300 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -1.217 -4.239 3.710 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -2.042 -6.496 6.543 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -0.963 -6.217 2.431 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -2.522 -8.887 6.257 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -1.445 -8.609 2.141 1.00 0.00 H new ATOM 0 HZ PHE A 83 -2.226 -9.949 4.054 1.00 0.00 H new ATOM 1231 N LEU A 84 1.824 -6.110 4.632 1.00 0.00 N ATOM 1232 CA LEU A 84 2.894 -6.666 3.812 1.00 0.00 C ATOM 1233 C LEU A 84 2.767 -8.183 3.708 1.00 0.00 C ATOM 1234 O LEU A 84 2.761 -8.887 4.719 1.00 0.00 O ATOM 1235 CB LEU A 84 4.258 -6.293 4.398 1.00 0.00 C ATOM 1236 CG LEU A 84 4.928 -5.080 3.752 1.00 0.00 C ATOM 1237 CD1 LEU A 84 6.062 -4.568 4.627 1.00 0.00 C ATOM 1238 CD2 LEU A 84 5.442 -5.431 2.364 1.00 0.00 C ATOM 0 H LEU A 84 1.521 -6.714 5.396 1.00 0.00 H new ATOM 0 HA LEU A 84 2.809 -6.244 2.810 1.00 0.00 H new ATOM 0 HB2 LEU A 84 4.138 -6.098 5.464 1.00 0.00 H new ATOM 0 HB3 LEU A 84 4.924 -7.151 4.304 1.00 0.00 H new ATOM 0 HG LEU A 84 4.185 -4.288 3.654 1.00 0.00 H new ATOM 0 HD11 LEU A 84 6.527 -3.705 4.151 1.00 0.00 H new ATOM 0 HD12 LEU A 84 5.668 -4.277 5.601 1.00 0.00 H new ATOM 0 HD13 LEU A 84 6.805 -5.355 4.757 1.00 0.00 H new ATOM 0 HD21 LEU A 84 5.916 -4.556 1.919 1.00 0.00 H new ATOM 0 HD22 LEU A 84 6.170 -6.239 2.439 1.00 0.00 H new ATOM 0 HD23 LEU A 84 4.609 -5.750 1.738 1.00 0.00 H new ATOM 1250 N GLY A 85 2.666 -8.680 2.480 1.00 0.00 N ATOM 1251 CA GLY A 85 2.540 -10.109 2.266 1.00 0.00 C ATOM 1252 C GLY A 85 1.518 -10.448 1.199 1.00 0.00 C ATOM 1253 O GLY A 85 1.146 -9.595 0.392 1.00 0.00 O ATOM 0 H GLY A 85 2.669 -8.118 1.629 1.00 0.00 H new ATOM 0 HA2 GLY A 85 3.509 -10.517 1.979 1.00 0.00 H new ATOM 0 HA3 GLY A 85 2.256 -10.590 3.202 1.00 0.00 H new ATOM 1257 N GLU A 86 1.061 -11.697 1.194 1.00 0.00 N ATOM 1258 CA GLU A 86 0.075 -12.145 0.218 1.00 0.00 C ATOM 1259 C GLU A 86 -1.315 -11.623 0.568 1.00 0.00 C ATOM 1260 O GLU A 86 -1.484 -10.879 1.534 1.00 0.00 O ATOM 1261 CB GLU A 86 0.055 -13.674 0.147 1.00 0.00 C ATOM 1262 CG GLU A 86 1.364 -14.276 -0.338 1.00 0.00 C ATOM 1263 CD GLU A 86 1.392 -15.787 -0.209 1.00 0.00 C ATOM 1264 OE1 GLU A 86 1.514 -16.283 0.931 1.00 0.00 O ATOM 1265 OE2 GLU A 86 1.293 -16.473 -1.248 1.00 0.00 O ATOM 0 H GLU A 86 1.358 -12.415 1.854 1.00 0.00 H new ATOM 0 HA GLU A 86 0.358 -11.746 -0.756 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -0.175 -14.073 1.135 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -0.749 -13.988 -0.519 1.00 0.00 H new ATOM 0 HG2 GLU A 86 1.522 -14.001 -1.381 1.00 0.00 H new ATOM 0 HG3 GLU A 86 2.189 -13.851 0.233 1.00 0.00 H new ATOM 1272 N THR A 87 -2.307 -12.017 -0.224 1.00 0.00 N ATOM 1273 CA THR A 87 -3.682 -11.587 0.005 1.00 0.00 C ATOM 1274 C THR A 87 -4.664 -12.704 -0.335 1.00 0.00 C ATOM 1275 O THR A 87 -4.261 -13.807 -0.706 1.00 0.00 O ATOM 1276 CB THR A 87 -3.996 -10.345 -0.831 1.00 0.00 C ATOM 1277 OG1 THR A 87 -3.355 -10.413 -2.093 1.00 0.00 O ATOM 1278 CG2 THR A 87 -3.566 -9.054 -0.168 1.00 0.00 C ATOM 0 H THR A 87 -2.185 -12.632 -1.028 1.00 0.00 H new ATOM 0 HA THR A 87 -3.789 -11.342 1.062 1.00 0.00 H new ATOM 0 HB THR A 87 -5.081 -10.337 -0.939 1.00 0.00 H new ATOM 0 HG1 THR A 87 -3.631 -11.231 -2.557 1.00 0.00 H new ATOM 0 HG21 THR A 87 -3.818 -8.212 -0.813 1.00 0.00 H new ATOM 0 HG22 THR A 87 -4.081 -8.946 0.787 1.00 0.00 H new ATOM 0 HG23 THR A 87 -2.489 -9.073 0.001 1.00 0.00 H new ATOM 1286 N GLN A 88 -5.954 -12.410 -0.207 1.00 0.00 N ATOM 1287 CA GLN A 88 -6.993 -13.390 -0.500 1.00 0.00 C ATOM 1288 C GLN A 88 -7.501 -13.234 -1.930 1.00 0.00 C ATOM 1289 O GLN A 88 -7.789 -14.220 -2.608 1.00 0.00 O ATOM 1290 CB GLN A 88 -8.154 -13.242 0.485 1.00 0.00 C ATOM 1291 CG GLN A 88 -7.973 -14.044 1.763 1.00 0.00 C ATOM 1292 CD GLN A 88 -7.455 -13.200 2.911 1.00 0.00 C ATOM 1293 OE1 GLN A 88 -6.275 -12.855 2.961 1.00 0.00 O ATOM 1294 NE2 GLN A 88 -8.338 -12.863 3.845 1.00 0.00 N ATOM 0 H GLN A 88 -6.304 -11.502 0.097 1.00 0.00 H new ATOM 0 HA GLN A 88 -6.560 -14.385 -0.394 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -8.271 -12.189 0.740 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -9.076 -13.556 -0.004 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -8.926 -14.490 2.046 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -7.280 -14.864 1.578 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -9.307 -13.170 3.765 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -8.046 -12.297 4.642 1.00 0.00 H new ATOM 1303 N PHE A 89 -7.610 -11.989 -2.381 1.00 0.00 N ATOM 1304 CA PHE A 89 -8.084 -11.704 -3.730 1.00 0.00 C ATOM 1305 C PHE A 89 -7.053 -12.130 -4.771 1.00 0.00 C ATOM 1306 O PHE A 89 -7.405 -12.519 -5.885 1.00 0.00 O ATOM 1307 CB PHE A 89 -8.393 -10.214 -3.881 1.00 0.00 C ATOM 1308 CG PHE A 89 -7.198 -9.328 -3.681 1.00 0.00 C ATOM 1309 CD1 PHE A 89 -6.857 -8.879 -2.414 1.00 0.00 C ATOM 1310 CD2 PHE A 89 -6.414 -8.944 -4.757 1.00 0.00 C ATOM 1311 CE1 PHE A 89 -5.758 -8.063 -2.225 1.00 0.00 C ATOM 1312 CE2 PHE A 89 -5.313 -8.129 -4.574 1.00 0.00 C ATOM 1313 CZ PHE A 89 -4.985 -7.688 -3.308 1.00 0.00 C ATOM 0 H PHE A 89 -7.377 -11.162 -1.832 1.00 0.00 H new ATOM 0 HA PHE A 89 -8.997 -12.275 -3.895 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -8.804 -10.036 -4.875 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -9.164 -9.937 -3.162 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -7.457 -9.171 -1.565 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -6.666 -9.286 -5.750 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -5.504 -7.719 -1.233 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -4.710 -7.837 -5.421 1.00 0.00 H new ATOM 0 HZ PHE A 89 -4.125 -7.051 -3.164 1.00 0.00 H new ATOM 1323 N ALA A 90 -5.779 -12.056 -4.399 1.00 0.00 N ATOM 1324 CA ALA A 90 -4.698 -12.435 -5.300 1.00 0.00 C ATOM 1325 C ALA A 90 -3.528 -13.043 -4.529 1.00 0.00 C ATOM 1326 O ALA A 90 -3.226 -12.622 -3.412 1.00 0.00 O ATOM 1327 CB ALA A 90 -4.233 -11.228 -6.102 1.00 0.00 C ATOM 0 H ALA A 90 -5.471 -11.737 -3.480 1.00 0.00 H new ATOM 0 HA ALA A 90 -5.078 -13.191 -5.987 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -3.425 -11.525 -6.771 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -5.065 -10.838 -6.688 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -3.875 -10.455 -5.422 1.00 0.00 H new ATOM 1333 N PRO A 91 -2.851 -14.045 -5.117 1.00 0.00 N ATOM 1334 CA PRO A 91 -1.711 -14.708 -4.478 1.00 0.00 C ATOM 1335 C PRO A 91 -0.452 -13.847 -4.495 1.00 0.00 C ATOM 1336 O PRO A 91 0.426 -13.995 -3.645 1.00 0.00 O ATOM 1337 CB PRO A 91 -1.512 -15.961 -5.330 1.00 0.00 C ATOM 1338 CG PRO A 91 -2.011 -15.578 -6.680 1.00 0.00 C ATOM 1339 CD PRO A 91 -3.142 -14.611 -6.449 1.00 0.00 C ATOM 0 HA PRO A 91 -1.897 -14.915 -3.424 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -0.463 -16.256 -5.364 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -2.068 -16.807 -4.927 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -1.220 -15.118 -7.272 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -2.353 -16.454 -7.232 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -3.170 -13.837 -7.216 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -4.109 -15.114 -6.468 1.00 0.00 H new ATOM 1347 N GLY A 92 -0.369 -12.946 -5.470 1.00 0.00 N ATOM 1348 CA GLY A 92 0.786 -12.074 -5.580 1.00 0.00 C ATOM 1349 C GLY A 92 1.027 -11.264 -4.321 1.00 0.00 C ATOM 1350 O GLY A 92 0.100 -11.007 -3.553 1.00 0.00 O ATOM 0 H GLY A 92 -1.082 -12.805 -6.186 1.00 0.00 H new ATOM 0 HA2 GLY A 92 1.670 -12.674 -5.797 1.00 0.00 H new ATOM 0 HA3 GLY A 92 0.646 -11.396 -6.422 1.00 0.00 H new ATOM 1354 N GLN A 93 2.276 -10.861 -4.109 1.00 0.00 N ATOM 1355 CA GLN A 93 2.637 -10.076 -2.934 1.00 0.00 C ATOM 1356 C GLN A 93 2.170 -8.632 -3.080 1.00 0.00 C ATOM 1357 O GLN A 93 2.303 -8.030 -4.146 1.00 0.00 O ATOM 1358 CB GLN A 93 4.150 -10.116 -2.714 1.00 0.00 C ATOM 1359 CG GLN A 93 4.700 -11.520 -2.520 1.00 0.00 C ATOM 1360 CD GLN A 93 5.792 -11.578 -1.469 1.00 0.00 C ATOM 1361 OE1 GLN A 93 6.874 -12.114 -1.710 1.00 0.00 O ATOM 1362 NE2 GLN A 93 5.513 -11.025 -0.294 1.00 0.00 N ATOM 0 H GLN A 93 3.055 -11.065 -4.735 1.00 0.00 H new ATOM 0 HA GLN A 93 2.139 -10.513 -2.068 1.00 0.00 H new ATOM 0 HB2 GLN A 93 4.645 -9.656 -3.569 1.00 0.00 H new ATOM 0 HB3 GLN A 93 4.398 -9.514 -1.840 1.00 0.00 H new ATOM 0 HG2 GLN A 93 3.888 -12.188 -2.232 1.00 0.00 H new ATOM 0 HG3 GLN A 93 5.093 -11.886 -3.468 1.00 0.00 H new ATOM 0 HE21 GLN A 93 4.603 -10.591 -0.138 1.00 0.00 H new ATOM 0 HE22 GLN A 93 6.209 -11.034 0.452 1.00 0.00 H new ATOM 1371 N TRP A 94 1.624 -8.081 -2.000 1.00 0.00 N ATOM 1372 CA TRP A 94 1.137 -6.706 -2.007 1.00 0.00 C ATOM 1373 C TRP A 94 1.644 -5.944 -0.786 1.00 0.00 C ATOM 1374 O TRP A 94 2.220 -6.532 0.129 1.00 0.00 O ATOM 1375 CB TRP A 94 -0.392 -6.683 -2.038 1.00 0.00 C ATOM 1376 CG TRP A 94 -0.972 -7.297 -3.276 1.00 0.00 C ATOM 1377 CD1 TRP A 94 -1.384 -8.588 -3.434 1.00 0.00 C ATOM 1378 CD2 TRP A 94 -1.201 -6.645 -4.530 1.00 0.00 C ATOM 1379 NE1 TRP A 94 -1.858 -8.780 -4.710 1.00 0.00 N ATOM 1380 CE2 TRP A 94 -1.756 -7.601 -5.402 1.00 0.00 C ATOM 1381 CE3 TRP A 94 -0.993 -5.345 -5.000 1.00 0.00 C ATOM 1382 CZ2 TRP A 94 -2.104 -7.297 -6.716 1.00 0.00 C ATOM 1383 CZ3 TRP A 94 -1.338 -5.045 -6.304 1.00 0.00 C ATOM 1384 CH2 TRP A 94 -1.889 -6.017 -7.149 1.00 0.00 C ATOM 0 H TRP A 94 1.508 -8.565 -1.110 1.00 0.00 H new ATOM 0 HA TRP A 94 1.518 -6.217 -2.903 1.00 0.00 H new ATOM 0 HB2 TRP A 94 -0.774 -7.213 -1.165 1.00 0.00 H new ATOM 0 HB3 TRP A 94 -0.734 -5.651 -1.959 1.00 0.00 H new ATOM 0 HD1 TRP A 94 -1.344 -9.348 -2.668 1.00 0.00 H new ATOM 0 HE1 TRP A 94 -2.225 -9.656 -5.081 1.00 0.00 H new ATOM 0 HE3 TRP A 94 -0.570 -4.589 -4.355 1.00 0.00 H new ATOM 0 HZ2 TRP A 94 -2.528 -8.045 -7.370 1.00 0.00 H new ATOM 0 HZ3 TRP A 94 -1.180 -4.044 -6.678 1.00 0.00 H new ATOM 0 HH2 TRP A 94 -2.149 -5.751 -8.163 1.00 0.00 H new ATOM 1395 N ALA A 95 1.425 -4.634 -0.781 1.00 0.00 N ATOM 1396 CA ALA A 95 1.859 -3.792 0.328 1.00 0.00 C ATOM 1397 C ALA A 95 0.924 -2.602 0.513 1.00 0.00 C ATOM 1398 O ALA A 95 0.885 -1.694 -0.319 1.00 0.00 O ATOM 1399 CB ALA A 95 3.285 -3.314 0.099 1.00 0.00 C ATOM 0 H ALA A 95 0.950 -4.132 -1.531 1.00 0.00 H new ATOM 0 HA ALA A 95 1.828 -4.389 1.239 1.00 0.00 H new ATOM 0 HB1 ALA A 95 3.597 -2.686 0.934 1.00 0.00 H new ATOM 0 HB2 ALA A 95 3.950 -4.175 0.024 1.00 0.00 H new ATOM 0 HB3 ALA A 95 3.332 -2.738 -0.825 1.00 0.00 H new ATOM 1405 N GLY A 96 0.171 -2.611 1.608 1.00 0.00 N ATOM 1406 CA GLY A 96 -0.754 -1.527 1.882 1.00 0.00 C ATOM 1407 C GLY A 96 -0.067 -0.320 2.490 1.00 0.00 C ATOM 1408 O GLY A 96 0.507 -0.404 3.575 1.00 0.00 O ATOM 0 H GLY A 96 0.185 -3.350 2.311 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -1.248 -1.232 0.956 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -1.531 -1.879 2.560 1.00 0.00 H new ATOM 1412 N ILE A 97 -0.125 0.807 1.786 1.00 0.00 N ATOM 1413 CA ILE A 97 0.496 2.037 2.261 1.00 0.00 C ATOM 1414 C ILE A 97 -0.545 3.128 2.487 1.00 0.00 C ATOM 1415 O ILE A 97 -1.571 3.170 1.809 1.00 0.00 O ATOM 1416 CB ILE A 97 1.556 2.551 1.266 1.00 0.00 C ATOM 1417 CG1 ILE A 97 2.523 1.426 0.890 1.00 0.00 C ATOM 1418 CG2 ILE A 97 2.311 3.731 1.859 1.00 0.00 C ATOM 1419 CD1 ILE A 97 2.753 1.301 -0.601 1.00 0.00 C ATOM 0 H ILE A 97 -0.596 0.893 0.885 1.00 0.00 H new ATOM 0 HA ILE A 97 0.981 1.801 3.208 1.00 0.00 H new ATOM 0 HB ILE A 97 1.050 2.887 0.361 1.00 0.00 H new ATOM 0 HG12 ILE A 97 3.479 1.599 1.384 1.00 0.00 H new ATOM 0 HG13 ILE A 97 2.134 0.481 1.270 1.00 0.00 H new ATOM 0 HG21 ILE A 97 3.056 4.083 1.145 1.00 0.00 H new ATOM 0 HG22 ILE A 97 1.611 4.537 2.080 1.00 0.00 H new ATOM 0 HG23 ILE A 97 2.808 3.420 2.778 1.00 0.00 H new ATOM 0 HD11 ILE A 97 3.448 0.484 -0.795 1.00 0.00 H new ATOM 0 HD12 ILE A 97 1.805 1.097 -1.099 1.00 0.00 H new ATOM 0 HD13 ILE A 97 3.171 2.232 -0.984 1.00 0.00 H new ATOM 1431 N VAL A 98 -0.272 4.009 3.444 1.00 0.00 N ATOM 1432 CA VAL A 98 -1.184 5.101 3.760 1.00 0.00 C ATOM 1433 C VAL A 98 -0.607 6.443 3.324 1.00 0.00 C ATOM 1434 O VAL A 98 0.358 6.935 3.910 1.00 0.00 O ATOM 1435 CB VAL A 98 -1.493 5.155 5.268 1.00 0.00 C ATOM 1436 CG1 VAL A 98 -2.592 6.167 5.554 1.00 0.00 C ATOM 1437 CG2 VAL A 98 -1.879 3.776 5.783 1.00 0.00 C ATOM 0 H VAL A 98 0.574 3.988 4.014 1.00 0.00 H new ATOM 0 HA VAL A 98 -2.107 4.910 3.213 1.00 0.00 H new ATOM 0 HB VAL A 98 -0.593 5.475 5.793 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -2.796 6.190 6.625 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -2.271 7.155 5.224 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -3.498 5.882 5.019 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -2.094 3.833 6.850 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -2.764 3.424 5.253 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -1.056 3.081 5.615 1.00 0.00 H new ATOM 1447 N LEU A 99 -1.204 7.031 2.293 1.00 0.00 N ATOM 1448 CA LEU A 99 -0.748 8.318 1.780 1.00 0.00 C ATOM 1449 C LEU A 99 -1.074 9.441 2.759 1.00 0.00 C ATOM 1450 O LEU A 99 -1.764 9.227 3.756 1.00 0.00 O ATOM 1451 CB LEU A 99 -1.393 8.608 0.422 1.00 0.00 C ATOM 1452 CG LEU A 99 -1.266 7.486 -0.609 1.00 0.00 C ATOM 1453 CD1 LEU A 99 -2.170 7.753 -1.802 1.00 0.00 C ATOM 1454 CD2 LEU A 99 0.180 7.335 -1.056 1.00 0.00 C ATOM 0 H LEU A 99 -2.004 6.638 1.797 1.00 0.00 H new ATOM 0 HA LEU A 99 0.334 8.268 1.658 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -2.451 8.820 0.577 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -0.944 9.512 0.010 1.00 0.00 H new ATOM 0 HG LEU A 99 -1.581 6.552 -0.143 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -2.066 6.944 -2.525 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -3.206 7.810 -1.468 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -1.887 8.696 -2.269 1.00 0.00 H new ATOM 0 HD21 LEU A 99 0.252 6.532 -1.790 1.00 0.00 H new ATOM 0 HD22 LEU A 99 0.522 8.268 -1.504 1.00 0.00 H new ATOM 0 HD23 LEU A 99 0.804 7.097 -0.195 1.00 0.00 H new ATOM 1466 N ASP A 100 -0.574 10.637 2.469 1.00 0.00 N ATOM 1467 CA ASP A 100 -0.813 11.794 3.324 1.00 0.00 C ATOM 1468 C ASP A 100 -1.880 12.704 2.725 1.00 0.00 C ATOM 1469 O ASP A 100 -2.598 13.395 3.450 1.00 0.00 O ATOM 1470 CB ASP A 100 0.484 12.577 3.531 1.00 0.00 C ATOM 1471 CG ASP A 100 0.517 13.299 4.864 1.00 0.00 C ATOM 1472 OD1 ASP A 100 -0.382 14.130 5.111 1.00 0.00 O ATOM 1473 OD2 ASP A 100 1.442 13.033 5.660 1.00 0.00 O ATOM 0 H ASP A 100 -0.000 10.831 1.648 1.00 0.00 H new ATOM 0 HA ASP A 100 -1.170 11.433 4.289 1.00 0.00 H new ATOM 0 HB2 ASP A 100 1.331 11.894 3.470 1.00 0.00 H new ATOM 0 HB3 ASP A 100 0.600 13.302 2.725 1.00 0.00 H new ATOM 1478 N GLU A 101 -1.981 12.701 1.400 1.00 0.00 N ATOM 1479 CA GLU A 101 -2.962 13.527 0.705 1.00 0.00 C ATOM 1480 C GLU A 101 -4.055 12.665 0.079 1.00 0.00 C ATOM 1481 O GLU A 101 -3.832 11.494 -0.228 1.00 0.00 O ATOM 1482 CB GLU A 101 -2.278 14.368 -0.375 1.00 0.00 C ATOM 1483 CG GLU A 101 -1.024 15.078 0.110 1.00 0.00 C ATOM 1484 CD GLU A 101 -1.225 16.572 0.273 1.00 0.00 C ATOM 1485 OE1 GLU A 101 -1.637 17.226 -0.708 1.00 0.00 O ATOM 1486 OE2 GLU A 101 -0.971 17.088 1.381 1.00 0.00 O ATOM 0 H GLU A 101 -1.395 12.136 0.786 1.00 0.00 H new ATOM 0 HA GLU A 101 -3.423 14.191 1.436 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -2.019 13.724 -1.215 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -2.984 15.110 -0.748 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -0.715 14.651 1.064 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -0.214 14.899 -0.597 1.00 0.00 H new ATOM 1493 N PRO A 102 -5.256 13.236 -0.120 1.00 0.00 N ATOM 1494 CA PRO A 102 -6.385 12.512 -0.714 1.00 0.00 C ATOM 1495 C PRO A 102 -6.173 12.229 -2.198 1.00 0.00 C ATOM 1496 O PRO A 102 -6.930 12.702 -3.046 1.00 0.00 O ATOM 1497 CB PRO A 102 -7.564 13.465 -0.512 1.00 0.00 C ATOM 1498 CG PRO A 102 -6.947 14.819 -0.436 1.00 0.00 C ATOM 1499 CD PRO A 102 -5.607 14.628 0.218 1.00 0.00 C ATOM 0 HA PRO A 102 -6.530 11.533 -0.256 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -8.273 13.399 -1.337 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -8.113 13.228 0.399 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -6.838 15.254 -1.429 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -7.570 15.500 0.144 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -4.869 15.333 -0.165 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -5.661 14.778 1.296 1.00 0.00 H new ATOM 1507 N ILE A 103 -5.139 11.452 -2.505 1.00 0.00 N ATOM 1508 CA ILE A 103 -4.827 11.104 -3.886 1.00 0.00 C ATOM 1509 C ILE A 103 -4.750 9.591 -4.066 1.00 0.00 C ATOM 1510 O ILE A 103 -4.028 9.096 -4.930 1.00 0.00 O ATOM 1511 CB ILE A 103 -3.494 11.731 -4.337 1.00 0.00 C ATOM 1512 CG1 ILE A 103 -2.388 11.417 -3.328 1.00 0.00 C ATOM 1513 CG2 ILE A 103 -3.648 13.234 -4.515 1.00 0.00 C ATOM 1514 CD1 ILE A 103 -1.078 11.016 -3.971 1.00 0.00 C ATOM 0 H ILE A 103 -4.503 11.051 -1.815 1.00 0.00 H new ATOM 0 HA ILE A 103 -5.633 11.502 -4.502 1.00 0.00 H new ATOM 0 HB ILE A 103 -3.214 11.299 -5.298 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -2.222 12.292 -2.699 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -2.723 10.613 -2.673 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -2.698 13.662 -4.834 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -4.408 13.435 -5.270 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -3.949 13.683 -3.569 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -0.341 10.808 -3.196 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -1.229 10.123 -4.577 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -0.720 11.828 -4.604 1.00 0.00 H new ATOM 1526 N GLY A 104 -5.501 8.864 -3.245 1.00 0.00 N ATOM 1527 CA GLY A 104 -5.502 7.415 -3.330 1.00 0.00 C ATOM 1528 C GLY A 104 -6.643 6.886 -4.175 1.00 0.00 C ATOM 1529 O GLY A 104 -7.323 7.650 -4.861 1.00 0.00 O ATOM 0 H GLY A 104 -6.108 9.252 -2.523 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -4.555 7.078 -3.751 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -5.572 6.995 -2.327 1.00 0.00 H new ATOM 1533 N LYS A 105 -6.853 5.575 -4.128 1.00 0.00 N ATOM 1534 CA LYS A 105 -7.920 4.943 -4.896 1.00 0.00 C ATOM 1535 C LYS A 105 -8.728 3.985 -4.026 1.00 0.00 C ATOM 1536 O LYS A 105 -9.958 3.973 -4.076 1.00 0.00 O ATOM 1537 CB LYS A 105 -7.337 4.196 -6.098 1.00 0.00 C ATOM 1538 CG LYS A 105 -7.413 4.982 -7.397 1.00 0.00 C ATOM 1539 CD LYS A 105 -6.289 6.000 -7.499 1.00 0.00 C ATOM 1540 CE LYS A 105 -4.924 5.328 -7.531 1.00 0.00 C ATOM 1541 NZ LYS A 105 -4.045 5.805 -6.428 1.00 0.00 N ATOM 0 H LYS A 105 -6.298 4.929 -3.566 1.00 0.00 H new ATOM 0 HA LYS A 105 -8.589 5.726 -5.253 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -6.295 3.950 -5.892 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -7.869 3.253 -6.222 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -7.361 4.296 -8.242 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -8.374 5.492 -7.459 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -6.421 6.599 -8.400 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -6.339 6.683 -6.651 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -5.049 4.248 -7.454 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -4.444 5.526 -8.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -3.054 5.589 -6.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -4.158 6.833 -6.314 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -4.309 5.327 -5.543 1.00 0.00 H new ATOM 1555 N ASN A 106 -8.028 3.182 -3.230 1.00 0.00 N ATOM 1556 CA ASN A 106 -8.682 2.219 -2.351 1.00 0.00 C ATOM 1557 C ASN A 106 -8.862 2.797 -0.951 1.00 0.00 C ATOM 1558 O ASN A 106 -8.401 3.901 -0.659 1.00 0.00 O ATOM 1559 CB ASN A 106 -7.869 0.926 -2.282 1.00 0.00 C ATOM 1560 CG ASN A 106 -7.882 0.164 -3.592 1.00 0.00 C ATOM 1561 OD1 ASN A 106 -8.871 0.184 -4.326 1.00 0.00 O ATOM 1562 ND2 ASN A 106 -6.781 -0.514 -3.894 1.00 0.00 N ATOM 0 H ASN A 106 -7.009 3.179 -3.176 1.00 0.00 H new ATOM 0 HA ASN A 106 -9.667 1.998 -2.763 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -6.840 1.161 -2.012 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -8.268 0.291 -1.491 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -6.732 -1.046 -4.763 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -5.985 -0.503 -3.257 1.00 0.00 H new ATOM 1569 N ASP A 107 -9.533 2.042 -0.087 1.00 0.00 N ATOM 1570 CA ASP A 107 -9.774 2.478 1.284 1.00 0.00 C ATOM 1571 C ASP A 107 -9.318 1.418 2.281 1.00 0.00 C ATOM 1572 O ASP A 107 -9.894 1.276 3.359 1.00 0.00 O ATOM 1573 CB ASP A 107 -11.259 2.784 1.491 1.00 0.00 C ATOM 1574 CG ASP A 107 -11.812 3.712 0.427 1.00 0.00 C ATOM 1575 OD1 ASP A 107 -11.371 4.879 0.370 1.00 0.00 O ATOM 1576 OD2 ASP A 107 -12.686 3.271 -0.349 1.00 0.00 O ATOM 0 H ASP A 107 -9.920 1.125 -0.312 1.00 0.00 H new ATOM 0 HA ASP A 107 -9.195 3.386 1.456 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -11.824 1.852 1.485 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -11.401 3.236 2.473 1.00 0.00 H new ATOM 1581 N GLY A 108 -8.279 0.675 1.913 1.00 0.00 N ATOM 1582 CA GLY A 108 -7.762 -0.362 2.785 1.00 0.00 C ATOM 1583 C GLY A 108 -8.746 -1.501 2.979 1.00 0.00 C ATOM 1584 O GLY A 108 -8.841 -2.069 4.067 1.00 0.00 O ATOM 0 H GLY A 108 -7.786 0.773 1.025 1.00 0.00 H new ATOM 0 HA2 GLY A 108 -6.835 -0.754 2.368 1.00 0.00 H new ATOM 0 HA3 GLY A 108 -7.517 0.072 3.755 1.00 0.00 H new ATOM 1588 N SER A 109 -9.478 -1.834 1.921 1.00 0.00 N ATOM 1589 CA SER A 109 -10.459 -2.911 1.980 1.00 0.00 C ATOM 1590 C SER A 109 -10.674 -3.525 0.600 1.00 0.00 C ATOM 1591 O SER A 109 -10.986 -2.824 -0.361 1.00 0.00 O ATOM 1592 CB SER A 109 -11.787 -2.390 2.531 1.00 0.00 C ATOM 1593 OG SER A 109 -12.522 -1.704 1.533 1.00 0.00 O ATOM 0 H SER A 109 -9.410 -1.374 1.013 1.00 0.00 H new ATOM 0 HA SER A 109 -10.075 -3.683 2.647 1.00 0.00 H new ATOM 0 HB2 SER A 109 -12.377 -3.223 2.913 1.00 0.00 H new ATOM 0 HB3 SER A 109 -11.598 -1.722 3.371 1.00 0.00 H new ATOM 0 HG SER A 109 -12.001 -1.677 0.704 1.00 0.00 H new ATOM 1599 N VAL A 110 -10.505 -4.841 0.511 1.00 0.00 N ATOM 1600 CA VAL A 110 -10.680 -5.550 -0.750 1.00 0.00 C ATOM 1601 C VAL A 110 -11.581 -6.768 -0.575 1.00 0.00 C ATOM 1602 O VAL A 110 -11.262 -7.684 0.184 1.00 0.00 O ATOM 1603 CB VAL A 110 -9.329 -6.005 -1.332 1.00 0.00 C ATOM 1604 CG1 VAL A 110 -9.512 -6.562 -2.736 1.00 0.00 C ATOM 1605 CG2 VAL A 110 -8.333 -4.855 -1.332 1.00 0.00 C ATOM 0 H VAL A 110 -10.247 -5.437 1.298 1.00 0.00 H new ATOM 0 HA VAL A 110 -11.148 -4.851 -1.443 1.00 0.00 H new ATOM 0 HB VAL A 110 -8.931 -6.799 -0.700 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -8.546 -6.878 -3.131 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -10.188 -7.416 -2.703 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -9.933 -5.791 -3.381 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -7.384 -5.195 -1.747 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -8.722 -4.037 -1.939 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -8.179 -4.507 -0.311 1.00 0.00 H new ATOM 1615 N ALA A 111 -12.705 -6.773 -1.282 1.00 0.00 N ATOM 1616 CA ALA A 111 -13.653 -7.878 -1.206 1.00 0.00 C ATOM 1617 C ALA A 111 -14.168 -8.061 0.218 1.00 0.00 C ATOM 1618 O ALA A 111 -14.304 -9.186 0.701 1.00 0.00 O ATOM 1619 CB ALA A 111 -13.005 -9.161 -1.705 1.00 0.00 C ATOM 0 H ALA A 111 -12.982 -6.023 -1.915 1.00 0.00 H new ATOM 0 HA ALA A 111 -14.504 -7.641 -1.844 1.00 0.00 H new ATOM 0 HB1 ALA A 111 -13.723 -9.979 -1.643 1.00 0.00 H new ATOM 0 HB2 ALA A 111 -12.691 -9.031 -2.741 1.00 0.00 H new ATOM 0 HB3 ALA A 111 -12.136 -9.393 -1.089 1.00 0.00 H new ATOM 1625 N GLY A 112 -14.454 -6.949 0.886 1.00 0.00 N ATOM 1626 CA GLY A 112 -14.951 -7.009 2.247 1.00 0.00 C ATOM 1627 C GLY A 112 -13.917 -7.542 3.219 1.00 0.00 C ATOM 1628 O GLY A 112 -14.263 -8.136 4.240 1.00 0.00 O ATOM 0 H GLY A 112 -14.350 -6.007 0.509 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -15.261 -6.012 2.562 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -15.837 -7.643 2.279 1.00 0.00 H new ATOM 1632 N VAL A 113 -12.644 -7.329 2.902 1.00 0.00 N ATOM 1633 CA VAL A 113 -11.556 -7.793 3.754 1.00 0.00 C ATOM 1634 C VAL A 113 -10.608 -6.652 4.106 1.00 0.00 C ATOM 1635 O VAL A 113 -9.771 -6.254 3.295 1.00 0.00 O ATOM 1636 CB VAL A 113 -10.754 -8.921 3.078 1.00 0.00 C ATOM 1637 CG1 VAL A 113 -9.751 -9.521 4.051 1.00 0.00 C ATOM 1638 CG2 VAL A 113 -11.690 -9.990 2.537 1.00 0.00 C ATOM 0 H VAL A 113 -12.341 -6.838 2.061 1.00 0.00 H new ATOM 0 HA VAL A 113 -12.012 -8.178 4.666 1.00 0.00 H new ATOM 0 HB VAL A 113 -10.201 -8.497 2.240 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -9.194 -10.316 3.555 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -9.060 -8.747 4.384 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -10.279 -9.931 4.912 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -11.106 -10.779 2.063 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -12.272 -10.412 3.356 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -12.364 -9.547 1.804 1.00 0.00 H new ATOM 1648 N ARG A 114 -10.745 -6.129 5.319 1.00 0.00 N ATOM 1649 CA ARG A 114 -9.902 -5.032 5.780 1.00 0.00 C ATOM 1650 C ARG A 114 -8.517 -5.539 6.171 1.00 0.00 C ATOM 1651 O ARG A 114 -8.382 -6.391 7.049 1.00 0.00 O ATOM 1652 CB ARG A 114 -10.554 -4.326 6.970 1.00 0.00 C ATOM 1653 CG ARG A 114 -10.282 -2.830 7.014 1.00 0.00 C ATOM 1654 CD ARG A 114 -11.459 -2.066 7.600 1.00 0.00 C ATOM 1655 NE ARG A 114 -11.241 -1.714 9.001 1.00 0.00 N ATOM 1656 CZ ARG A 114 -11.481 -2.537 10.020 1.00 0.00 C ATOM 1657 NH1 ARG A 114 -11.954 -3.757 9.802 1.00 0.00 N ATOM 1658 NH2 ARG A 114 -11.249 -2.136 11.263 1.00 0.00 N ATOM 0 H ARG A 114 -11.433 -6.447 6.002 1.00 0.00 H new ATOM 0 HA ARG A 114 -9.792 -4.321 4.961 1.00 0.00 H new ATOM 0 HB2 ARG A 114 -11.631 -4.490 6.934 1.00 0.00 H new ATOM 0 HB3 ARG A 114 -10.193 -4.780 7.893 1.00 0.00 H new ATOM 0 HG2 ARG A 114 -9.390 -2.639 7.610 1.00 0.00 H new ATOM 0 HG3 ARG A 114 -10.076 -2.467 6.007 1.00 0.00 H new ATOM 0 HD2 ARG A 114 -11.627 -1.158 7.020 1.00 0.00 H new ATOM 0 HD3 ARG A 114 -12.362 -2.670 7.514 1.00 0.00 H new ATOM 0 HE ARG A 114 -10.884 -0.782 9.211 1.00 0.00 H new ATOM 0 HH11 ARG A 114 -12.136 -4.070 8.849 1.00 0.00 H new ATOM 0 HH12 ARG A 114 -12.135 -4.382 10.588 1.00 0.00 H new ATOM 0 HH21 ARG A 114 -10.887 -1.198 11.437 1.00 0.00 H new ATOM 0 HH22 ARG A 114 -11.432 -2.765 12.045 1.00 0.00 H new ATOM 1672 N TYR A 115 -7.491 -5.009 5.513 1.00 0.00 N ATOM 1673 CA TYR A 115 -6.116 -5.407 5.791 1.00 0.00 C ATOM 1674 C TYR A 115 -5.431 -4.396 6.704 1.00 0.00 C ATOM 1675 O TYR A 115 -4.739 -4.769 7.651 1.00 0.00 O ATOM 1676 CB TYR A 115 -5.330 -5.550 4.487 1.00 0.00 C ATOM 1677 CG TYR A 115 -5.923 -6.559 3.529 1.00 0.00 C ATOM 1678 CD1 TYR A 115 -7.016 -6.232 2.736 1.00 0.00 C ATOM 1679 CD2 TYR A 115 -5.390 -7.836 3.418 1.00 0.00 C ATOM 1680 CE1 TYR A 115 -7.561 -7.151 1.859 1.00 0.00 C ATOM 1681 CE2 TYR A 115 -5.929 -8.760 2.543 1.00 0.00 C ATOM 1682 CZ TYR A 115 -7.014 -8.413 1.766 1.00 0.00 C ATOM 1683 OH TYR A 115 -7.554 -9.331 0.894 1.00 0.00 O ATOM 0 H TYR A 115 -7.586 -4.303 4.783 1.00 0.00 H new ATOM 0 HA TYR A 115 -6.139 -6.371 6.300 1.00 0.00 H new ATOM 0 HB2 TYR A 115 -5.281 -4.579 3.994 1.00 0.00 H new ATOM 0 HB3 TYR A 115 -4.306 -5.841 4.720 1.00 0.00 H new ATOM 0 HD1 TYR A 115 -7.447 -5.244 2.806 1.00 0.00 H new ATOM 0 HD2 TYR A 115 -4.540 -8.112 4.025 1.00 0.00 H new ATOM 0 HE1 TYR A 115 -8.411 -6.882 1.250 1.00 0.00 H new ATOM 0 HE2 TYR A 115 -5.502 -9.749 2.468 1.00 0.00 H new ATOM 0 HH TYR A 115 -8.313 -8.928 0.424 1.00 0.00 H new ATOM 1693 N PHE A 116 -5.626 -3.115 6.411 1.00 0.00 N ATOM 1694 CA PHE A 116 -5.026 -2.049 7.207 1.00 0.00 C ATOM 1695 C PHE A 116 -5.954 -0.841 7.285 1.00 0.00 C ATOM 1696 O PHE A 116 -6.303 -0.246 6.265 1.00 0.00 O ATOM 1697 CB PHE A 116 -3.681 -1.636 6.610 1.00 0.00 C ATOM 1698 CG PHE A 116 -3.786 -1.066 5.229 1.00 0.00 C ATOM 1699 CD1 PHE A 116 -3.974 -1.900 4.139 1.00 0.00 C ATOM 1700 CD2 PHE A 116 -3.693 0.299 5.018 1.00 0.00 C ATOM 1701 CE1 PHE A 116 -4.068 -1.382 2.864 1.00 0.00 C ATOM 1702 CE2 PHE A 116 -3.785 0.822 3.744 1.00 0.00 C ATOM 1703 CZ PHE A 116 -3.974 -0.020 2.667 1.00 0.00 C ATOM 0 H PHE A 116 -6.194 -2.789 5.629 1.00 0.00 H new ATOM 0 HA PHE A 116 -4.867 -2.428 8.217 1.00 0.00 H new ATOM 0 HB2 PHE A 116 -3.214 -0.899 7.263 1.00 0.00 H new ATOM 0 HB3 PHE A 116 -3.022 -2.504 6.586 1.00 0.00 H new ATOM 0 HD1 PHE A 116 -4.048 -2.967 4.289 1.00 0.00 H new ATOM 0 HD2 PHE A 116 -3.547 0.961 5.859 1.00 0.00 H new ATOM 0 HE1 PHE A 116 -4.215 -2.042 2.022 1.00 0.00 H new ATOM 0 HE2 PHE A 116 -3.709 1.888 3.590 1.00 0.00 H new ATOM 0 HZ PHE A 116 -4.048 0.388 1.670 1.00 0.00 H new ATOM 1713 N GLN A 117 -6.348 -0.483 8.503 1.00 0.00 N ATOM 1714 CA GLN A 117 -7.235 0.656 8.714 1.00 0.00 C ATOM 1715 C GLN A 117 -6.555 1.958 8.299 1.00 0.00 C ATOM 1716 O GLN A 117 -5.440 2.251 8.730 1.00 0.00 O ATOM 1717 CB GLN A 117 -7.659 0.734 10.182 1.00 0.00 C ATOM 1718 CG GLN A 117 -8.614 1.879 10.479 1.00 0.00 C ATOM 1719 CD GLN A 117 -9.840 1.862 9.588 1.00 0.00 C ATOM 1720 OE1 GLN A 117 -10.669 0.955 9.670 1.00 0.00 O ATOM 1721 NE2 GLN A 117 -9.960 2.867 8.728 1.00 0.00 N ATOM 0 H GLN A 117 -6.068 -0.964 9.358 1.00 0.00 H new ATOM 0 HA GLN A 117 -8.121 0.515 8.095 1.00 0.00 H new ATOM 0 HB2 GLN A 117 -8.133 -0.206 10.465 1.00 0.00 H new ATOM 0 HB3 GLN A 117 -6.770 0.843 10.803 1.00 0.00 H new ATOM 0 HG2 GLN A 117 -8.927 1.825 11.522 1.00 0.00 H new ATOM 0 HG3 GLN A 117 -8.090 2.826 10.352 1.00 0.00 H new ATOM 0 HE21 GLN A 117 -9.249 3.597 8.695 1.00 0.00 H new ATOM 0 HE22 GLN A 117 -10.764 2.909 8.101 1.00 0.00 H new ATOM 1730 N CYS A 118 -7.234 2.733 7.461 1.00 0.00 N ATOM 1731 CA CYS A 118 -6.697 4.003 6.989 1.00 0.00 C ATOM 1732 C CYS A 118 -7.815 4.926 6.519 1.00 0.00 C ATOM 1733 O CYS A 118 -8.990 4.560 6.548 1.00 0.00 O ATOM 1734 CB CYS A 118 -5.702 3.767 5.851 1.00 0.00 C ATOM 1735 SG CYS A 118 -6.423 2.980 4.391 1.00 0.00 S ATOM 0 H CYS A 118 -8.158 2.504 7.095 1.00 0.00 H new ATOM 0 HA CYS A 118 -6.181 4.483 7.821 1.00 0.00 H new ATOM 0 HB2 CYS A 118 -5.268 4.723 5.558 1.00 0.00 H new ATOM 0 HB3 CYS A 118 -4.886 3.146 6.220 1.00 0.00 H new ATOM 0 HG CYS A 118 -5.599 2.088 3.927 1.00 0.00 H new ATOM 1741 N GLU A 119 -7.442 6.125 6.083 1.00 0.00 N ATOM 1742 CA GLU A 119 -8.415 7.100 5.605 1.00 0.00 C ATOM 1743 C GLU A 119 -8.726 6.879 4.127 1.00 0.00 C ATOM 1744 O GLU A 119 -7.896 6.361 3.380 1.00 0.00 O ATOM 1745 CB GLU A 119 -7.891 8.522 5.821 1.00 0.00 C ATOM 1746 CG GLU A 119 -8.058 9.020 7.246 1.00 0.00 C ATOM 1747 CD GLU A 119 -6.861 9.819 7.727 1.00 0.00 C ATOM 1748 OE1 GLU A 119 -6.718 10.985 7.304 1.00 0.00 O ATOM 1749 OE2 GLU A 119 -6.070 9.279 8.528 1.00 0.00 O ATOM 0 H GLU A 119 -6.474 6.444 6.051 1.00 0.00 H new ATOM 0 HA GLU A 119 -9.335 6.968 6.175 1.00 0.00 H new ATOM 0 HB2 GLU A 119 -6.835 8.556 5.554 1.00 0.00 H new ATOM 0 HB3 GLU A 119 -8.412 9.199 5.145 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -8.953 9.639 7.308 1.00 0.00 H new ATOM 0 HG3 GLU A 119 -8.213 8.169 7.909 1.00 0.00 H new ATOM 1756 N PRO A 120 -9.934 7.267 3.682 1.00 0.00 N ATOM 1757 CA PRO A 120 -10.351 7.107 2.285 1.00 0.00 C ATOM 1758 C PRO A 120 -9.448 7.868 1.319 1.00 0.00 C ATOM 1759 O PRO A 120 -8.882 8.904 1.668 1.00 0.00 O ATOM 1760 CB PRO A 120 -11.769 7.690 2.255 1.00 0.00 C ATOM 1761 CG PRO A 120 -12.223 7.683 3.675 1.00 0.00 C ATOM 1762 CD PRO A 120 -10.987 7.887 4.503 1.00 0.00 C ATOM 0 HA PRO A 120 -10.300 6.065 1.969 1.00 0.00 H new ATOM 0 HB2 PRO A 120 -11.771 8.700 1.846 1.00 0.00 H new ATOM 0 HB3 PRO A 120 -12.428 7.090 1.628 1.00 0.00 H new ATOM 0 HG2 PRO A 120 -12.950 8.475 3.857 1.00 0.00 H new ATOM 0 HG3 PRO A 120 -12.709 6.740 3.925 1.00 0.00 H new ATOM 0 HD2 PRO A 120 -10.790 8.944 4.681 1.00 0.00 H new ATOM 0 HD3 PRO A 120 -11.072 7.410 5.479 1.00 0.00 H new ATOM 1770 N LEU A 121 -9.323 7.349 0.102 1.00 0.00 N ATOM 1771 CA LEU A 121 -8.494 7.979 -0.920 1.00 0.00 C ATOM 1772 C LEU A 121 -7.045 8.096 -0.460 1.00 0.00 C ATOM 1773 O LEU A 121 -6.365 9.077 -0.763 1.00 0.00 O ATOM 1774 CB LEU A 121 -9.045 9.364 -1.268 1.00 0.00 C ATOM 1775 CG LEU A 121 -10.564 9.433 -1.435 1.00 0.00 C ATOM 1776 CD1 LEU A 121 -11.083 10.803 -1.027 1.00 0.00 C ATOM 1777 CD2 LEU A 121 -10.955 9.118 -2.870 1.00 0.00 C ATOM 0 H LEU A 121 -9.786 6.492 -0.201 1.00 0.00 H new ATOM 0 HA LEU A 121 -8.519 7.348 -1.809 1.00 0.00 H new ATOM 0 HB2 LEU A 121 -8.749 10.063 -0.486 1.00 0.00 H new ATOM 0 HB3 LEU A 121 -8.577 9.703 -2.193 1.00 0.00 H new ATOM 0 HG LEU A 121 -11.018 8.687 -0.783 1.00 0.00 H new ATOM 0 HD11 LEU A 121 -12.165 10.834 -1.152 1.00 0.00 H new ATOM 0 HD12 LEU A 121 -10.833 10.991 0.017 1.00 0.00 H new ATOM 0 HD13 LEU A 121 -10.623 11.568 -1.653 1.00 0.00 H new ATOM 0 HD21 LEU A 121 -12.039 9.171 -2.972 1.00 0.00 H new ATOM 0 HD22 LEU A 121 -10.491 9.842 -3.541 1.00 0.00 H new ATOM 0 HD23 LEU A 121 -10.615 8.115 -3.128 1.00 0.00 H new ATOM 1789 N LYS A 122 -6.576 7.089 0.269 1.00 0.00 N ATOM 1790 CA LYS A 122 -5.205 7.079 0.766 1.00 0.00 C ATOM 1791 C LYS A 122 -4.608 5.678 0.680 1.00 0.00 C ATOM 1792 O LYS A 122 -3.515 5.490 0.149 1.00 0.00 O ATOM 1793 CB LYS A 122 -5.160 7.582 2.211 1.00 0.00 C ATOM 1794 CG LYS A 122 -4.786 9.051 2.331 1.00 0.00 C ATOM 1795 CD LYS A 122 -5.649 9.766 3.359 1.00 0.00 C ATOM 1796 CE LYS A 122 -5.377 11.261 3.372 1.00 0.00 C ATOM 1797 NZ LYS A 122 -4.485 11.653 4.499 1.00 0.00 N ATOM 0 H LYS A 122 -7.125 6.269 0.529 1.00 0.00 H new ATOM 0 HA LYS A 122 -4.611 7.746 0.141 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -6.135 7.425 2.673 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -4.441 6.985 2.773 1.00 0.00 H new ATOM 0 HG2 LYS A 122 -3.737 9.138 2.612 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -4.897 9.536 1.361 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -6.702 9.589 3.138 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -5.456 9.352 4.349 1.00 0.00 H new ATOM 0 HE2 LYS A 122 -4.919 11.555 2.427 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -6.320 11.801 3.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -3.877 12.443 4.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -5.062 11.947 5.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -3.892 10.843 4.770 1.00 0.00 H new ATOM 1811 N GLY A 123 -5.337 4.697 1.204 1.00 0.00 N ATOM 1812 CA GLY A 123 -4.863 3.326 1.173 1.00 0.00 C ATOM 1813 C GLY A 123 -4.795 2.770 -0.235 1.00 0.00 C ATOM 1814 O GLY A 123 -5.775 2.823 -0.978 1.00 0.00 O ATOM 0 H GLY A 123 -6.246 4.827 1.649 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -3.874 3.276 1.629 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -5.523 2.702 1.775 1.00 0.00 H new ATOM 1818 N ILE A 124 -3.636 2.237 -0.605 1.00 0.00 N ATOM 1819 CA ILE A 124 -3.444 1.670 -1.934 1.00 0.00 C ATOM 1820 C ILE A 124 -2.595 0.403 -1.875 1.00 0.00 C ATOM 1821 O ILE A 124 -1.626 0.328 -1.119 1.00 0.00 O ATOM 1822 CB ILE A 124 -2.778 2.686 -2.885 1.00 0.00 C ATOM 1823 CG1 ILE A 124 -2.681 2.111 -4.300 1.00 0.00 C ATOM 1824 CG2 ILE A 124 -1.401 3.075 -2.370 1.00 0.00 C ATOM 1825 CD1 ILE A 124 -2.090 3.076 -5.305 1.00 0.00 C ATOM 0 H ILE A 124 -2.815 2.186 -0.002 1.00 0.00 H new ATOM 0 HA ILE A 124 -4.432 1.419 -2.320 1.00 0.00 H new ATOM 0 HB ILE A 124 -3.397 3.583 -2.920 1.00 0.00 H new ATOM 0 HG12 ILE A 124 -2.073 1.207 -4.275 1.00 0.00 H new ATOM 0 HG13 ILE A 124 -3.676 1.816 -4.633 1.00 0.00 H new ATOM 0 HG21 ILE A 124 -0.946 3.792 -3.053 1.00 0.00 H new ATOM 0 HG22 ILE A 124 -1.496 3.525 -1.382 1.00 0.00 H new ATOM 0 HG23 ILE A 124 -0.773 2.187 -2.305 1.00 0.00 H new ATOM 0 HD11 ILE A 124 -2.052 2.602 -6.286 1.00 0.00 H new ATOM 0 HD12 ILE A 124 -2.710 3.971 -5.359 1.00 0.00 H new ATOM 0 HD13 ILE A 124 -1.082 3.352 -4.995 1.00 0.00 H new ATOM 1837 N PHE A 125 -2.965 -0.589 -2.678 1.00 0.00 N ATOM 1838 CA PHE A 125 -2.239 -1.852 -2.718 1.00 0.00 C ATOM 1839 C PHE A 125 -1.321 -1.914 -3.934 1.00 0.00 C ATOM 1840 O PHE A 125 -1.778 -1.830 -5.075 1.00 0.00 O ATOM 1841 CB PHE A 125 -3.217 -3.027 -2.743 1.00 0.00 C ATOM 1842 CG PHE A 125 -3.584 -3.533 -1.376 1.00 0.00 C ATOM 1843 CD1 PHE A 125 -2.629 -4.117 -0.560 1.00 0.00 C ATOM 1844 CD2 PHE A 125 -4.884 -3.424 -0.910 1.00 0.00 C ATOM 1845 CE1 PHE A 125 -2.963 -4.584 0.697 1.00 0.00 C ATOM 1846 CE2 PHE A 125 -5.224 -3.889 0.347 1.00 0.00 C ATOM 1847 CZ PHE A 125 -4.263 -4.470 1.150 1.00 0.00 C ATOM 0 H PHE A 125 -3.764 -0.542 -3.310 1.00 0.00 H new ATOM 0 HA PHE A 125 -1.626 -1.918 -1.819 1.00 0.00 H new ATOM 0 HB2 PHE A 125 -4.125 -2.723 -3.264 1.00 0.00 H new ATOM 0 HB3 PHE A 125 -2.778 -3.843 -3.317 1.00 0.00 H new ATOM 0 HD1 PHE A 125 -1.611 -4.208 -0.910 1.00 0.00 H new ATOM 0 HD2 PHE A 125 -5.640 -2.971 -1.535 1.00 0.00 H new ATOM 0 HE1 PHE A 125 -2.209 -5.037 1.324 1.00 0.00 H new ATOM 0 HE2 PHE A 125 -6.240 -3.798 0.700 1.00 0.00 H new ATOM 0 HZ PHE A 125 -4.527 -4.835 2.131 1.00 0.00 H new ATOM 1857 N THR A 126 -0.024 -2.062 -3.685 1.00 0.00 N ATOM 1858 CA THR A 126 0.958 -2.137 -4.760 1.00 0.00 C ATOM 1859 C THR A 126 2.076 -3.113 -4.408 1.00 0.00 C ATOM 1860 O THR A 126 2.076 -3.708 -3.331 1.00 0.00 O ATOM 1861 CB THR A 126 1.545 -0.752 -5.040 1.00 0.00 C ATOM 1862 OG1 THR A 126 2.544 -0.823 -6.041 1.00 0.00 O ATOM 1863 CG2 THR A 126 2.163 -0.106 -3.819 1.00 0.00 C ATOM 0 H THR A 126 0.371 -2.132 -2.747 1.00 0.00 H new ATOM 0 HA THR A 126 0.453 -2.498 -5.656 1.00 0.00 H new ATOM 0 HB THR A 126 0.702 -0.142 -5.366 1.00 0.00 H new ATOM 0 HG1 THR A 126 2.905 0.073 -6.207 1.00 0.00 H new ATOM 0 HG21 THR A 126 2.560 0.873 -4.087 1.00 0.00 H new ATOM 0 HG22 THR A 126 1.404 0.010 -3.045 1.00 0.00 H new ATOM 0 HG23 THR A 126 2.971 -0.735 -3.444 1.00 0.00 H new ATOM 1871 N ARG A 127 3.024 -3.275 -5.325 1.00 0.00 N ATOM 1872 CA ARG A 127 4.147 -4.182 -5.110 1.00 0.00 C ATOM 1873 C ARG A 127 5.267 -3.485 -4.338 1.00 0.00 C ATOM 1874 O ARG A 127 5.631 -2.352 -4.648 1.00 0.00 O ATOM 1875 CB ARG A 127 4.678 -4.695 -6.450 1.00 0.00 C ATOM 1876 CG ARG A 127 3.856 -5.833 -7.034 1.00 0.00 C ATOM 1877 CD ARG A 127 4.282 -7.179 -6.468 1.00 0.00 C ATOM 1878 NE ARG A 127 4.931 -8.015 -7.476 1.00 0.00 N ATOM 1879 CZ ARG A 127 5.096 -9.331 -7.353 1.00 0.00 C ATOM 1880 NH1 ARG A 127 4.663 -9.963 -6.269 1.00 0.00 N ATOM 1881 NH2 ARG A 127 5.697 -10.016 -8.316 1.00 0.00 N ATOM 0 H ARG A 127 3.038 -2.791 -6.223 1.00 0.00 H new ATOM 0 HA ARG A 127 3.793 -5.027 -4.520 1.00 0.00 H new ATOM 0 HB2 ARG A 127 4.700 -3.870 -7.163 1.00 0.00 H new ATOM 0 HB3 ARG A 127 5.707 -5.031 -6.319 1.00 0.00 H new ATOM 0 HG2 ARG A 127 2.800 -5.666 -6.822 1.00 0.00 H new ATOM 0 HG3 ARG A 127 3.965 -5.843 -8.118 1.00 0.00 H new ATOM 0 HD2 ARG A 127 4.965 -7.022 -5.633 1.00 0.00 H new ATOM 0 HD3 ARG A 127 3.409 -7.699 -6.073 1.00 0.00 H new ATOM 0 HE ARG A 127 5.278 -7.564 -8.323 1.00 0.00 H new ATOM 0 HH11 ARG A 127 4.201 -9.441 -5.525 1.00 0.00 H new ATOM 0 HH12 ARG A 127 4.792 -10.971 -6.181 1.00 0.00 H new ATOM 0 HH21 ARG A 127 6.033 -9.535 -9.151 1.00 0.00 H new ATOM 0 HH22 ARG A 127 5.824 -11.024 -8.222 1.00 0.00 H new ATOM 1895 N PRO A 128 5.836 -4.156 -3.317 1.00 0.00 N ATOM 1896 CA PRO A 128 6.919 -3.587 -2.509 1.00 0.00 C ATOM 1897 C PRO A 128 8.105 -3.148 -3.361 1.00 0.00 C ATOM 1898 O PRO A 128 8.722 -2.116 -3.100 1.00 0.00 O ATOM 1899 CB PRO A 128 7.327 -4.738 -1.585 1.00 0.00 C ATOM 1900 CG PRO A 128 6.135 -5.629 -1.532 1.00 0.00 C ATOM 1901 CD PRO A 128 5.470 -5.514 -2.873 1.00 0.00 C ATOM 0 HA PRO A 128 6.598 -2.692 -1.977 1.00 0.00 H new ATOM 0 HB2 PRO A 128 8.198 -5.266 -1.973 1.00 0.00 H new ATOM 0 HB3 PRO A 128 7.592 -4.373 -0.593 1.00 0.00 H new ATOM 0 HG2 PRO A 128 6.427 -6.659 -1.329 1.00 0.00 H new ATOM 0 HG3 PRO A 128 5.457 -5.327 -0.734 1.00 0.00 H new ATOM 0 HD2 PRO A 128 5.829 -6.274 -3.567 1.00 0.00 H new ATOM 0 HD3 PRO A 128 4.389 -5.635 -2.798 1.00 0.00 H new ATOM 1909 N SER A 129 8.421 -3.943 -4.378 1.00 0.00 N ATOM 1910 CA SER A 129 9.535 -3.641 -5.270 1.00 0.00 C ATOM 1911 C SER A 129 9.357 -2.274 -5.926 1.00 0.00 C ATOM 1912 O SER A 129 10.334 -1.612 -6.278 1.00 0.00 O ATOM 1913 CB SER A 129 9.663 -4.721 -6.344 1.00 0.00 C ATOM 1914 OG SER A 129 8.415 -4.975 -6.965 1.00 0.00 O ATOM 0 H SER A 129 7.921 -4.802 -4.605 1.00 0.00 H new ATOM 0 HA SER A 129 10.447 -3.620 -4.674 1.00 0.00 H new ATOM 0 HB2 SER A 129 10.389 -4.407 -7.094 1.00 0.00 H new ATOM 0 HB3 SER A 129 10.044 -5.639 -5.897 1.00 0.00 H new ATOM 0 HG SER A 129 8.525 -5.668 -7.649 1.00 0.00 H new ATOM 1920 N LYS A 130 8.105 -1.857 -6.090 1.00 0.00 N ATOM 1921 CA LYS A 130 7.802 -0.570 -6.705 1.00 0.00 C ATOM 1922 C LYS A 130 8.088 0.576 -5.739 1.00 0.00 C ATOM 1923 O LYS A 130 8.377 1.697 -6.158 1.00 0.00 O ATOM 1924 CB LYS A 130 6.339 -0.526 -7.150 1.00 0.00 C ATOM 1925 CG LYS A 130 6.057 -1.353 -8.394 1.00 0.00 C ATOM 1926 CD LYS A 130 5.724 -0.474 -9.588 1.00 0.00 C ATOM 1927 CE LYS A 130 4.279 -0.007 -9.550 1.00 0.00 C ATOM 1928 NZ LYS A 130 3.769 0.335 -10.907 1.00 0.00 N ATOM 0 H LYS A 130 7.284 -2.392 -5.805 1.00 0.00 H new ATOM 0 HA LYS A 130 8.443 -0.453 -7.578 1.00 0.00 H new ATOM 0 HB2 LYS A 130 5.709 -0.884 -6.335 1.00 0.00 H new ATOM 0 HB3 LYS A 130 6.057 0.509 -7.340 1.00 0.00 H new ATOM 0 HG2 LYS A 130 6.926 -1.969 -8.626 1.00 0.00 H new ATOM 0 HG3 LYS A 130 5.227 -2.032 -8.199 1.00 0.00 H new ATOM 0 HD2 LYS A 130 6.387 0.391 -9.600 1.00 0.00 H new ATOM 0 HD3 LYS A 130 5.905 -1.027 -10.510 1.00 0.00 H new ATOM 0 HE2 LYS A 130 3.656 -0.789 -9.115 1.00 0.00 H new ATOM 0 HE3 LYS A 130 4.196 0.865 -8.901 1.00 0.00 H new ATOM 0 HZ1 LYS A 130 2.780 0.649 -10.837 1.00 0.00 H new ATOM 0 HZ2 LYS A 130 4.347 1.099 -11.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 130 3.824 -0.503 -11.520 1.00 0.00 H new ATOM 1942 N LEU A 131 8.003 0.287 -4.443 1.00 0.00 N ATOM 1943 CA LEU A 131 8.252 1.294 -3.419 1.00 0.00 C ATOM 1944 C LEU A 131 9.667 1.850 -3.533 1.00 0.00 C ATOM 1945 O LEU A 131 10.584 1.156 -3.972 1.00 0.00 O ATOM 1946 CB LEU A 131 8.036 0.698 -2.027 1.00 0.00 C ATOM 1947 CG LEU A 131 6.692 -0.002 -1.823 1.00 0.00 C ATOM 1948 CD1 LEU A 131 6.643 -0.676 -0.461 1.00 0.00 C ATOM 1949 CD2 LEU A 131 5.548 0.990 -1.970 1.00 0.00 C ATOM 0 H LEU A 131 7.764 -0.635 -4.079 1.00 0.00 H new ATOM 0 HA LEU A 131 7.548 2.112 -3.571 1.00 0.00 H new ATOM 0 HB2 LEU A 131 8.834 -0.017 -1.827 1.00 0.00 H new ATOM 0 HB3 LEU A 131 8.129 1.495 -1.289 1.00 0.00 H new ATOM 0 HG LEU A 131 6.583 -0.769 -2.589 1.00 0.00 H new ATOM 0 HD11 LEU A 131 5.679 -1.169 -0.333 1.00 0.00 H new ATOM 0 HD12 LEU A 131 7.441 -1.416 -0.392 1.00 0.00 H new ATOM 0 HD13 LEU A 131 6.774 0.073 0.320 1.00 0.00 H new ATOM 0 HD21 LEU A 131 4.599 0.475 -1.822 1.00 0.00 H new ATOM 0 HD22 LEU A 131 5.653 1.779 -1.226 1.00 0.00 H new ATOM 0 HD23 LEU A 131 5.572 1.427 -2.968 1.00 0.00 H new ATOM 1961 N THR A 132 9.838 3.106 -3.134 1.00 0.00 N ATOM 1962 CA THR A 132 11.143 3.756 -3.190 1.00 0.00 C ATOM 1963 C THR A 132 11.440 4.492 -1.887 1.00 0.00 C ATOM 1964 O THR A 132 10.630 4.486 -0.961 1.00 0.00 O ATOM 1965 CB THR A 132 11.200 4.731 -4.369 1.00 0.00 C ATOM 1966 OG1 THR A 132 9.895 5.081 -4.796 1.00 0.00 O ATOM 1967 CG2 THR A 132 11.941 4.177 -5.566 1.00 0.00 C ATOM 0 H THR A 132 9.089 3.694 -2.768 1.00 0.00 H new ATOM 0 HA THR A 132 11.901 2.985 -3.330 1.00 0.00 H new ATOM 0 HB THR A 132 11.740 5.602 -3.997 1.00 0.00 H new ATOM 0 HG1 THR A 132 9.671 4.579 -5.608 1.00 0.00 H new ATOM 0 HG21 THR A 132 11.945 4.917 -6.366 1.00 0.00 H new ATOM 0 HG22 THR A 132 12.967 3.944 -5.283 1.00 0.00 H new ATOM 0 HG23 THR A 132 11.445 3.270 -5.913 1.00 0.00 H new ATOM 1975 N ARG A 133 12.609 5.123 -1.824 1.00 0.00 N ATOM 1976 CA ARG A 133 13.014 5.863 -0.633 1.00 0.00 C ATOM 1977 C ARG A 133 13.262 7.332 -0.963 1.00 0.00 C ATOM 1978 O ARG A 133 14.249 7.675 -1.613 1.00 0.00 O ATOM 1979 CB ARG A 133 14.276 5.240 -0.028 1.00 0.00 C ATOM 1980 CG ARG A 133 14.027 4.522 1.289 1.00 0.00 C ATOM 1981 CD ARG A 133 14.698 5.236 2.451 1.00 0.00 C ATOM 1982 NE ARG A 133 13.982 5.029 3.708 1.00 0.00 N ATOM 1983 CZ ARG A 133 14.520 5.229 4.909 1.00 0.00 C ATOM 1984 NH1 ARG A 133 15.777 5.641 5.021 1.00 0.00 N ATOM 1985 NH2 ARG A 133 13.800 5.017 6.002 1.00 0.00 N ATOM 0 H ARG A 133 13.291 5.137 -2.582 1.00 0.00 H new ATOM 0 HA ARG A 133 12.205 5.807 0.095 1.00 0.00 H new ATOM 0 HB2 ARG A 133 14.702 4.535 -0.742 1.00 0.00 H new ATOM 0 HB3 ARG A 133 15.019 6.022 0.129 1.00 0.00 H new ATOM 0 HG2 ARG A 133 12.954 4.457 1.472 1.00 0.00 H new ATOM 0 HG3 ARG A 133 14.402 3.500 1.224 1.00 0.00 H new ATOM 0 HD2 ARG A 133 15.722 4.878 2.554 1.00 0.00 H new ATOM 0 HD3 ARG A 133 14.754 6.303 2.237 1.00 0.00 H new ATOM 0 HE ARG A 133 13.013 4.713 3.662 1.00 0.00 H new ATOM 0 HH11 ARG A 133 16.336 5.806 4.184 1.00 0.00 H new ATOM 0 HH12 ARG A 133 16.184 5.793 5.944 1.00 0.00 H new ATOM 0 HH21 ARG A 133 12.834 4.701 5.923 1.00 0.00 H new ATOM 0 HH22 ARG A 133 14.213 5.170 6.922 1.00 0.00 H new ATOM 1999 N LYS A 134 12.358 8.195 -0.508 1.00 0.00 N ATOM 2000 CA LYS A 134 12.477 9.628 -0.753 1.00 0.00 C ATOM 2001 C LYS A 134 12.542 9.924 -2.248 1.00 0.00 C ATOM 2002 O LYS A 134 13.338 10.750 -2.695 1.00 0.00 O ATOM 2003 CB LYS A 134 13.720 10.184 -0.056 1.00 0.00 C ATOM 2004 CG LYS A 134 13.644 11.675 0.227 1.00 0.00 C ATOM 2005 CD LYS A 134 13.093 11.951 1.616 1.00 0.00 C ATOM 2006 CE LYS A 134 13.764 13.158 2.252 1.00 0.00 C ATOM 2007 NZ LYS A 134 12.933 14.387 2.123 1.00 0.00 N ATOM 0 H LYS A 134 11.535 7.927 0.032 1.00 0.00 H new ATOM 0 HA LYS A 134 11.591 10.115 -0.345 1.00 0.00 H new ATOM 0 HB2 LYS A 134 13.868 9.652 0.884 1.00 0.00 H new ATOM 0 HB3 LYS A 134 14.594 9.985 -0.676 1.00 0.00 H new ATOM 0 HG2 LYS A 134 14.637 12.115 0.134 1.00 0.00 H new ATOM 0 HG3 LYS A 134 13.011 12.156 -0.519 1.00 0.00 H new ATOM 0 HD2 LYS A 134 12.018 12.121 1.555 1.00 0.00 H new ATOM 0 HD3 LYS A 134 13.242 11.076 2.248 1.00 0.00 H new ATOM 0 HE2 LYS A 134 13.951 12.955 3.306 1.00 0.00 H new ATOM 0 HE3 LYS A 134 14.733 13.324 1.782 1.00 0.00 H new ATOM 0 HZ1 LYS A 134 13.425 15.187 2.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 134 12.775 14.595 1.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 134 12.018 14.238 2.593 1.00 0.00 H new