USER MOD reduce.3.24.130724 H: found=0, std=0, add=552, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 553 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 74 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 ASN : amide:sc= -0.252 K(o=-0.25,f=-2.5!) USER MOD Single : A 77 LYS NZ :NH3+ 174:sc= -0.823 (180deg=-0.848) USER MOD Single : A 82 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 87 THR OG1 : rot 171:sc= 0.32 USER MOD Single : A 88 GLN : amide:sc= -0.796 K(o=-0.8,f=-0.048) USER MOD Single : A 93 GLN : amide:sc= -0.0505 K(o=-0.05,f=-1) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 ASN : amide:sc= -0.135 X(o=-0.13,f=0) USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 115 TYR OH : rot 0:sc= 0.506 USER MOD Single : A 117 GLN : amide:sc= -0.233 X(o=-0.23,f=-0.23) USER MOD Single : A 118 CYS SG : rot -138:sc= 0.232 USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 126 THR OG1 : rot 180:sc= -0.09 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 -53:sc= -0.898 USER MOD Single : A 134 LYS NZ :NH3+ -151:sc= 0 (180deg=-0.0064) USER MOD ----------------------------------------------------------------- ATOM 915 N PHE A 65 10.238 -5.210 2.601 1.00 0.00 N ATOM 916 CA PHE A 65 9.895 -3.991 3.322 1.00 0.00 C ATOM 917 C PHE A 65 9.382 -4.312 4.722 1.00 0.00 C ATOM 918 O PHE A 65 9.109 -5.469 5.043 1.00 0.00 O ATOM 919 CB PHE A 65 8.838 -3.197 2.551 1.00 0.00 C ATOM 920 CG PHE A 65 9.372 -2.517 1.324 1.00 0.00 C ATOM 921 CD1 PHE A 65 9.738 -3.255 0.210 1.00 0.00 C ATOM 922 CD2 PHE A 65 9.509 -1.139 1.284 1.00 0.00 C ATOM 923 CE1 PHE A 65 10.229 -2.632 -0.922 1.00 0.00 C ATOM 924 CE2 PHE A 65 10.000 -0.509 0.156 1.00 0.00 C ATOM 925 CZ PHE A 65 10.360 -1.257 -0.948 1.00 0.00 C ATOM 0 HA PHE A 65 10.798 -3.388 3.414 1.00 0.00 H new ATOM 0 HB2 PHE A 65 8.031 -3.870 2.261 1.00 0.00 H new ATOM 0 HB3 PHE A 65 8.405 -2.447 3.213 1.00 0.00 H new ATOM 0 HD1 PHE A 65 9.638 -4.330 0.226 1.00 0.00 H new ATOM 0 HD2 PHE A 65 9.229 -0.550 2.145 1.00 0.00 H new ATOM 0 HE1 PHE A 65 10.510 -3.219 -1.784 1.00 0.00 H new ATOM 0 HE2 PHE A 65 10.102 0.566 0.138 1.00 0.00 H new ATOM 0 HZ PHE A 65 10.744 -0.767 -1.831 1.00 0.00 H new ATOM 935 N ARG A 66 9.251 -3.281 5.550 1.00 0.00 N ATOM 936 CA ARG A 66 8.770 -3.452 6.916 1.00 0.00 C ATOM 937 C ARG A 66 7.592 -2.524 7.196 1.00 0.00 C ATOM 938 O ARG A 66 7.545 -1.399 6.699 1.00 0.00 O ATOM 939 CB ARG A 66 9.898 -3.184 7.915 1.00 0.00 C ATOM 940 CG ARG A 66 10.572 -4.447 8.426 1.00 0.00 C ATOM 941 CD ARG A 66 11.088 -4.267 9.844 1.00 0.00 C ATOM 942 NE ARG A 66 10.001 -4.203 10.819 1.00 0.00 N ATOM 943 CZ ARG A 66 10.173 -4.339 12.132 1.00 0.00 C ATOM 944 NH1 ARG A 66 11.386 -4.545 12.631 1.00 0.00 N ATOM 945 NH2 ARG A 66 9.132 -4.265 12.948 1.00 0.00 N ATOM 0 H ARG A 66 9.471 -2.317 5.299 1.00 0.00 H new ATOM 0 HA ARG A 66 8.433 -4.482 7.031 1.00 0.00 H new ATOM 0 HB2 ARG A 66 10.647 -2.548 7.443 1.00 0.00 H new ATOM 0 HB3 ARG A 66 9.497 -2.628 8.762 1.00 0.00 H new ATOM 0 HG2 ARG A 66 9.864 -5.276 8.397 1.00 0.00 H new ATOM 0 HG3 ARG A 66 11.399 -4.711 7.767 1.00 0.00 H new ATOM 0 HD2 ARG A 66 11.752 -5.094 10.096 1.00 0.00 H new ATOM 0 HD3 ARG A 66 11.680 -3.354 9.901 1.00 0.00 H new ATOM 0 HE ARG A 66 9.055 -4.045 10.473 1.00 0.00 H new ATOM 0 HH11 ARG A 66 12.191 -4.600 12.008 1.00 0.00 H new ATOM 0 HH12 ARG A 66 11.512 -4.649 13.638 1.00 0.00 H new ATOM 0 HH21 ARG A 66 8.198 -4.104 12.570 1.00 0.00 H new ATOM 0 HH22 ARG A 66 9.264 -4.369 13.954 1.00 0.00 H new ATOM 959 N VAL A 67 6.644 -3.003 7.995 1.00 0.00 N ATOM 960 CA VAL A 67 5.467 -2.214 8.340 1.00 0.00 C ATOM 961 C VAL A 67 5.826 -1.086 9.301 1.00 0.00 C ATOM 962 O VAL A 67 6.483 -1.310 10.319 1.00 0.00 O ATOM 963 CB VAL A 67 4.372 -3.089 8.978 1.00 0.00 C ATOM 964 CG1 VAL A 67 3.086 -2.294 9.147 1.00 0.00 C ATOM 965 CG2 VAL A 67 4.132 -4.337 8.141 1.00 0.00 C ATOM 0 H VAL A 67 6.668 -3.932 8.415 1.00 0.00 H new ATOM 0 HA VAL A 67 5.086 -1.789 7.411 1.00 0.00 H new ATOM 0 HB VAL A 67 4.710 -3.402 9.966 1.00 0.00 H new ATOM 0 HG11 VAL A 67 2.323 -2.928 9.599 1.00 0.00 H new ATOM 0 HG12 VAL A 67 3.272 -1.434 9.791 1.00 0.00 H new ATOM 0 HG13 VAL A 67 2.740 -1.950 8.172 1.00 0.00 H new ATOM 0 HG21 VAL A 67 3.355 -4.944 8.607 1.00 0.00 H new ATOM 0 HG22 VAL A 67 3.815 -4.048 7.139 1.00 0.00 H new ATOM 0 HG23 VAL A 67 5.054 -4.915 8.077 1.00 0.00 H new ATOM 975 N GLY A 68 5.394 0.126 8.971 1.00 0.00 N ATOM 976 CA GLY A 68 5.682 1.271 9.814 1.00 0.00 C ATOM 977 C GLY A 68 6.859 2.080 9.309 1.00 0.00 C ATOM 978 O GLY A 68 7.581 2.695 10.095 1.00 0.00 O ATOM 0 H GLY A 68 4.849 0.336 8.135 1.00 0.00 H new ATOM 0 HA2 GLY A 68 4.801 1.911 9.866 1.00 0.00 H new ATOM 0 HA3 GLY A 68 5.888 0.929 10.828 1.00 0.00 H new ATOM 982 N GLU A 69 7.054 2.081 7.995 1.00 0.00 N ATOM 983 CA GLU A 69 8.152 2.821 7.384 1.00 0.00 C ATOM 984 C GLU A 69 7.643 3.724 6.265 1.00 0.00 C ATOM 985 O GLU A 69 6.655 3.411 5.601 1.00 0.00 O ATOM 986 CB GLU A 69 9.203 1.854 6.835 1.00 0.00 C ATOM 987 CG GLU A 69 9.830 0.967 7.900 1.00 0.00 C ATOM 988 CD GLU A 69 11.268 1.341 8.198 1.00 0.00 C ATOM 989 OE1 GLU A 69 12.095 1.313 7.261 1.00 0.00 O ATOM 990 OE2 GLU A 69 11.569 1.662 9.366 1.00 0.00 O ATOM 0 H GLU A 69 6.465 1.577 7.332 1.00 0.00 H new ATOM 0 HA GLU A 69 8.608 3.446 8.152 1.00 0.00 H new ATOM 0 HB2 GLU A 69 8.742 1.224 6.074 1.00 0.00 H new ATOM 0 HB3 GLU A 69 9.989 2.426 6.342 1.00 0.00 H new ATOM 0 HG2 GLU A 69 9.243 1.036 8.816 1.00 0.00 H new ATOM 0 HG3 GLU A 69 9.789 -0.072 7.572 1.00 0.00 H new ATOM 997 N ARG A 70 8.324 4.848 6.064 1.00 0.00 N ATOM 998 CA ARG A 70 7.941 5.798 5.025 1.00 0.00 C ATOM 999 C ARG A 70 8.514 5.387 3.673 1.00 0.00 C ATOM 1000 O ARG A 70 9.724 5.221 3.524 1.00 0.00 O ATOM 1001 CB ARG A 70 8.421 7.204 5.389 1.00 0.00 C ATOM 1002 CG ARG A 70 7.804 8.298 4.534 1.00 0.00 C ATOM 1003 CD ARG A 70 6.331 8.489 4.853 1.00 0.00 C ATOM 1004 NE ARG A 70 5.874 9.840 4.537 1.00 0.00 N ATOM 1005 CZ ARG A 70 6.279 10.930 5.185 1.00 0.00 C ATOM 1006 NH1 ARG A 70 7.148 10.833 6.185 1.00 0.00 N ATOM 1007 NH2 ARG A 70 5.814 12.121 4.833 1.00 0.00 N ATOM 0 H ARG A 70 9.143 5.123 6.606 1.00 0.00 H new ATOM 0 HA ARG A 70 6.853 5.800 4.953 1.00 0.00 H new ATOM 0 HB2 ARG A 70 8.189 7.398 6.436 1.00 0.00 H new ATOM 0 HB3 ARG A 70 9.506 7.245 5.290 1.00 0.00 H new ATOM 0 HG2 ARG A 70 8.337 9.234 4.698 1.00 0.00 H new ATOM 0 HG3 ARG A 70 7.920 8.046 3.480 1.00 0.00 H new ATOM 0 HD2 ARG A 70 5.741 7.766 4.290 1.00 0.00 H new ATOM 0 HD3 ARG A 70 6.160 8.286 5.910 1.00 0.00 H new ATOM 0 HE ARG A 70 5.205 9.955 3.775 1.00 0.00 H new ATOM 0 HH11 ARG A 70 7.509 9.920 6.460 1.00 0.00 H new ATOM 0 HH12 ARG A 70 7.454 11.672 6.678 1.00 0.00 H new ATOM 0 HH21 ARG A 70 5.146 12.202 4.066 1.00 0.00 H new ATOM 0 HH22 ARG A 70 6.124 12.957 5.329 1.00 0.00 H new ATOM 1021 N VAL A 71 7.636 5.224 2.689 1.00 0.00 N ATOM 1022 CA VAL A 71 8.053 4.833 1.348 1.00 0.00 C ATOM 1023 C VAL A 71 7.354 5.675 0.287 1.00 0.00 C ATOM 1024 O VAL A 71 6.296 6.252 0.535 1.00 0.00 O ATOM 1025 CB VAL A 71 7.760 3.344 1.079 1.00 0.00 C ATOM 1026 CG1 VAL A 71 8.609 2.460 1.979 1.00 0.00 C ATOM 1027 CG2 VAL A 71 6.280 3.049 1.272 1.00 0.00 C ATOM 0 H VAL A 71 6.630 5.357 2.795 1.00 0.00 H new ATOM 0 HA VAL A 71 9.129 5.000 1.291 1.00 0.00 H new ATOM 0 HB VAL A 71 8.020 3.123 0.044 1.00 0.00 H new ATOM 0 HG11 VAL A 71 8.388 1.413 1.774 1.00 0.00 H new ATOM 0 HG12 VAL A 71 9.665 2.652 1.787 1.00 0.00 H new ATOM 0 HG13 VAL A 71 8.384 2.681 3.023 1.00 0.00 H new ATOM 0 HG21 VAL A 71 6.091 1.993 1.078 1.00 0.00 H new ATOM 0 HG22 VAL A 71 5.992 3.287 2.296 1.00 0.00 H new ATOM 0 HG23 VAL A 71 5.695 3.655 0.580 1.00 0.00 H new ATOM 1037 N TRP A 72 7.954 5.741 -0.898 1.00 0.00 N ATOM 1038 CA TRP A 72 7.390 6.513 -1.999 1.00 0.00 C ATOM 1039 C TRP A 72 6.908 5.594 -3.116 1.00 0.00 C ATOM 1040 O TRP A 72 7.711 5.028 -3.858 1.00 0.00 O ATOM 1041 CB TRP A 72 8.430 7.493 -2.547 1.00 0.00 C ATOM 1042 CG TRP A 72 8.481 8.789 -1.797 1.00 0.00 C ATOM 1043 CD1 TRP A 72 8.151 10.025 -2.273 1.00 0.00 C ATOM 1044 CD2 TRP A 72 8.889 8.978 -0.438 1.00 0.00 C ATOM 1045 NE1 TRP A 72 8.328 10.971 -1.292 1.00 0.00 N ATOM 1046 CE2 TRP A 72 8.781 10.353 -0.157 1.00 0.00 C ATOM 1047 CE3 TRP A 72 9.335 8.118 0.570 1.00 0.00 C ATOM 1048 CZ2 TRP A 72 9.102 10.886 1.089 1.00 0.00 C ATOM 1049 CZ3 TRP A 72 9.653 8.649 1.806 1.00 0.00 C ATOM 1050 CH2 TRP A 72 9.535 10.021 2.056 1.00 0.00 C ATOM 0 H TRP A 72 8.831 5.269 -1.120 1.00 0.00 H new ATOM 0 HA TRP A 72 6.536 7.073 -1.617 1.00 0.00 H new ATOM 0 HB2 TRP A 72 9.413 7.024 -2.514 1.00 0.00 H new ATOM 0 HB3 TRP A 72 8.209 7.697 -3.595 1.00 0.00 H new ATOM 0 HD1 TRP A 72 7.802 10.230 -3.274 1.00 0.00 H new ATOM 0 HE1 TRP A 72 8.151 11.970 -1.393 1.00 0.00 H new ATOM 0 HE3 TRP A 72 9.429 7.058 0.386 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 9.012 11.944 1.285 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 9.998 7.994 2.592 1.00 0.00 H new ATOM 0 HH2 TRP A 72 9.791 10.405 3.033 1.00 0.00 H new ATOM 1061 N VAL A 73 5.592 5.450 -3.234 1.00 0.00 N ATOM 1062 CA VAL A 73 5.007 4.601 -4.263 1.00 0.00 C ATOM 1063 C VAL A 73 5.264 5.174 -5.653 1.00 0.00 C ATOM 1064 O VAL A 73 5.012 6.352 -5.907 1.00 0.00 O ATOM 1065 CB VAL A 73 3.488 4.433 -4.062 1.00 0.00 C ATOM 1066 CG1 VAL A 73 2.926 3.421 -5.050 1.00 0.00 C ATOM 1067 CG2 VAL A 73 3.180 4.017 -2.630 1.00 0.00 C ATOM 0 H VAL A 73 4.912 5.910 -2.630 1.00 0.00 H new ATOM 0 HA VAL A 73 5.484 3.625 -4.177 1.00 0.00 H new ATOM 0 HB VAL A 73 3.008 5.394 -4.248 1.00 0.00 H new ATOM 0 HG11 VAL A 73 1.853 3.316 -4.892 1.00 0.00 H new ATOM 0 HG12 VAL A 73 3.112 3.764 -6.068 1.00 0.00 H new ATOM 0 HG13 VAL A 73 3.411 2.457 -4.898 1.00 0.00 H new ATOM 0 HG21 VAL A 73 2.103 3.903 -2.508 1.00 0.00 H new ATOM 0 HG22 VAL A 73 3.672 3.069 -2.413 1.00 0.00 H new ATOM 0 HG23 VAL A 73 3.545 4.781 -1.943 1.00 0.00 H new ATOM 1077 N ASN A 74 5.772 4.334 -6.550 1.00 0.00 N ATOM 1078 CA ASN A 74 6.066 4.760 -7.913 1.00 0.00 C ATOM 1079 C ASN A 74 7.093 5.892 -7.925 1.00 0.00 C ATOM 1080 O ASN A 74 7.204 6.630 -8.904 1.00 0.00 O ATOM 1081 CB ASN A 74 4.783 5.211 -8.615 1.00 0.00 C ATOM 1082 CG ASN A 74 4.321 4.220 -9.665 1.00 0.00 C ATOM 1083 OD1 ASN A 74 4.832 4.204 -10.786 1.00 0.00 O ATOM 1084 ND2 ASN A 74 3.350 3.388 -9.309 1.00 0.00 N ATOM 0 H ASN A 74 5.988 3.356 -6.357 1.00 0.00 H new ATOM 0 HA ASN A 74 6.487 3.910 -8.449 1.00 0.00 H new ATOM 0 HB2 ASN A 74 3.995 5.346 -7.874 1.00 0.00 H new ATOM 0 HB3 ASN A 74 4.950 6.181 -9.083 1.00 0.00 H new ATOM 0 HD21 ASN A 74 2.998 2.700 -9.975 1.00 0.00 H new ATOM 0 HD22 ASN A 74 2.956 3.437 -8.370 1.00 0.00 H new ATOM 1091 N GLY A 75 7.844 6.021 -6.834 1.00 0.00 N ATOM 1092 CA GLY A 75 8.851 7.063 -6.747 1.00 0.00 C ATOM 1093 C GLY A 75 8.252 8.457 -6.757 1.00 0.00 C ATOM 1094 O GLY A 75 8.842 9.387 -7.306 1.00 0.00 O ATOM 0 H GLY A 75 7.773 5.423 -6.011 1.00 0.00 H new ATOM 0 HA2 GLY A 75 9.431 6.927 -5.834 1.00 0.00 H new ATOM 0 HA3 GLY A 75 9.544 6.964 -7.582 1.00 0.00 H new ATOM 1098 N ASN A 76 7.079 8.603 -6.150 1.00 0.00 N ATOM 1099 CA ASN A 76 6.404 9.896 -6.092 1.00 0.00 C ATOM 1100 C ASN A 76 5.088 9.792 -5.324 1.00 0.00 C ATOM 1101 O ASN A 76 4.048 10.256 -5.791 1.00 0.00 O ATOM 1102 CB ASN A 76 6.144 10.425 -7.505 1.00 0.00 C ATOM 1103 CG ASN A 76 5.476 9.394 -8.395 1.00 0.00 C ATOM 1104 OD1 ASN A 76 6.106 8.827 -9.287 1.00 0.00 O ATOM 1105 ND2 ASN A 76 4.194 9.148 -8.157 1.00 0.00 N ATOM 0 H ASN A 76 6.576 7.843 -5.692 1.00 0.00 H new ATOM 0 HA ASN A 76 7.056 10.593 -5.565 1.00 0.00 H new ATOM 0 HB2 ASN A 76 5.515 11.313 -7.447 1.00 0.00 H new ATOM 0 HB3 ASN A 76 7.088 10.732 -7.955 1.00 0.00 H new ATOM 0 HD21 ASN A 76 3.692 8.465 -8.724 1.00 0.00 H new ATOM 0 HD22 ASN A 76 3.711 9.642 -7.407 1.00 0.00 H new ATOM 1112 N LYS A 77 5.143 9.183 -4.144 1.00 0.00 N ATOM 1113 CA LYS A 77 3.955 9.023 -3.313 1.00 0.00 C ATOM 1114 C LYS A 77 4.331 8.575 -1.902 1.00 0.00 C ATOM 1115 O LYS A 77 4.279 7.386 -1.585 1.00 0.00 O ATOM 1116 CB LYS A 77 3.000 8.008 -3.943 1.00 0.00 C ATOM 1117 CG LYS A 77 2.000 8.628 -4.905 1.00 0.00 C ATOM 1118 CD LYS A 77 0.728 7.801 -4.997 1.00 0.00 C ATOM 1119 CE LYS A 77 -0.075 8.152 -6.240 1.00 0.00 C ATOM 1120 NZ LYS A 77 -1.541 8.039 -6.003 1.00 0.00 N ATOM 0 H LYS A 77 5.996 8.793 -3.742 1.00 0.00 H new ATOM 0 HA LYS A 77 3.457 9.990 -3.247 1.00 0.00 H new ATOM 0 HB2 LYS A 77 3.582 7.255 -4.473 1.00 0.00 H new ATOM 0 HB3 LYS A 77 2.457 7.492 -3.151 1.00 0.00 H new ATOM 0 HG2 LYS A 77 1.755 9.638 -4.576 1.00 0.00 H new ATOM 0 HG3 LYS A 77 2.451 8.715 -5.894 1.00 0.00 H new ATOM 0 HD2 LYS A 77 0.982 6.741 -5.014 1.00 0.00 H new ATOM 0 HD3 LYS A 77 0.118 7.969 -4.109 1.00 0.00 H new ATOM 0 HE2 LYS A 77 0.165 9.168 -6.553 1.00 0.00 H new ATOM 0 HE3 LYS A 77 0.213 7.491 -7.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -2.055 8.383 -6.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -1.789 7.044 -5.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -1.804 8.611 -5.175 1.00 0.00 H new ATOM 1134 N PRO A 78 4.714 9.525 -1.031 1.00 0.00 N ATOM 1135 CA PRO A 78 5.097 9.221 0.352 1.00 0.00 C ATOM 1136 C PRO A 78 3.946 8.616 1.149 1.00 0.00 C ATOM 1137 O PRO A 78 2.826 9.127 1.124 1.00 0.00 O ATOM 1138 CB PRO A 78 5.489 10.585 0.932 1.00 0.00 C ATOM 1139 CG PRO A 78 4.832 11.585 0.045 1.00 0.00 C ATOM 1140 CD PRO A 78 4.803 10.966 -1.322 1.00 0.00 C ATOM 0 HA PRO A 78 5.898 8.483 0.396 1.00 0.00 H new ATOM 0 HB2 PRO A 78 5.149 10.688 1.962 1.00 0.00 H new ATOM 0 HB3 PRO A 78 6.571 10.715 0.939 1.00 0.00 H new ATOM 0 HG2 PRO A 78 3.824 11.813 0.392 1.00 0.00 H new ATOM 0 HG3 PRO A 78 5.386 12.524 0.037 1.00 0.00 H new ATOM 0 HD2 PRO A 78 3.950 11.314 -1.904 1.00 0.00 H new ATOM 0 HD3 PRO A 78 5.699 11.208 -1.894 1.00 0.00 H new ATOM 1148 N GLY A 79 4.228 7.526 1.854 1.00 0.00 N ATOM 1149 CA GLY A 79 3.207 6.870 2.647 1.00 0.00 C ATOM 1150 C GLY A 79 3.790 5.911 3.665 1.00 0.00 C ATOM 1151 O GLY A 79 4.998 5.674 3.685 1.00 0.00 O ATOM 0 H GLY A 79 5.147 7.085 1.890 1.00 0.00 H new ATOM 0 HA2 GLY A 79 2.611 7.624 3.162 1.00 0.00 H new ATOM 0 HA3 GLY A 79 2.531 6.327 1.986 1.00 0.00 H new ATOM 1155 N PHE A 80 2.929 5.356 4.512 1.00 0.00 N ATOM 1156 CA PHE A 80 3.365 4.416 5.538 1.00 0.00 C ATOM 1157 C PHE A 80 2.784 3.029 5.286 1.00 0.00 C ATOM 1158 O PHE A 80 1.571 2.866 5.158 1.00 0.00 O ATOM 1159 CB PHE A 80 2.949 4.912 6.924 1.00 0.00 C ATOM 1160 CG PHE A 80 3.579 6.221 7.306 1.00 0.00 C ATOM 1161 CD1 PHE A 80 3.068 7.417 6.826 1.00 0.00 C ATOM 1162 CD2 PHE A 80 4.681 6.258 8.144 1.00 0.00 C ATOM 1163 CE1 PHE A 80 3.645 8.623 7.175 1.00 0.00 C ATOM 1164 CE2 PHE A 80 5.263 7.460 8.496 1.00 0.00 C ATOM 1165 CZ PHE A 80 4.744 8.646 8.011 1.00 0.00 C ATOM 0 H PHE A 80 1.926 5.541 4.508 1.00 0.00 H new ATOM 0 HA PHE A 80 4.452 4.348 5.496 1.00 0.00 H new ATOM 0 HB2 PHE A 80 1.865 5.018 6.953 1.00 0.00 H new ATOM 0 HB3 PHE A 80 3.216 4.159 7.666 1.00 0.00 H new ATOM 0 HD1 PHE A 80 2.209 7.406 6.172 1.00 0.00 H new ATOM 0 HD2 PHE A 80 5.091 5.335 8.527 1.00 0.00 H new ATOM 0 HE1 PHE A 80 3.237 9.547 6.794 1.00 0.00 H new ATOM 0 HE2 PHE A 80 6.123 7.473 9.150 1.00 0.00 H new ATOM 0 HZ PHE A 80 5.197 9.588 8.285 1.00 0.00 H new ATOM 1175 N ILE A 81 3.659 2.031 5.213 1.00 0.00 N ATOM 1176 CA ILE A 81 3.234 0.657 4.975 1.00 0.00 C ATOM 1177 C ILE A 81 2.512 0.087 6.192 1.00 0.00 C ATOM 1178 O ILE A 81 3.040 0.106 7.303 1.00 0.00 O ATOM 1179 CB ILE A 81 4.432 -0.250 4.629 1.00 0.00 C ATOM 1180 CG1 ILE A 81 5.263 0.370 3.505 1.00 0.00 C ATOM 1181 CG2 ILE A 81 3.949 -1.638 4.233 1.00 0.00 C ATOM 1182 CD1 ILE A 81 6.718 -0.048 3.530 1.00 0.00 C ATOM 0 H ILE A 81 4.667 2.149 5.315 1.00 0.00 H new ATOM 0 HA ILE A 81 2.549 0.679 4.127 1.00 0.00 H new ATOM 0 HB ILE A 81 5.063 -0.344 5.513 1.00 0.00 H new ATOM 0 HG12 ILE A 81 4.829 0.089 2.545 1.00 0.00 H new ATOM 0 HG13 ILE A 81 5.204 1.456 3.576 1.00 0.00 H new ATOM 0 HG21 ILE A 81 4.806 -2.266 3.992 1.00 0.00 H new ATOM 0 HG22 ILE A 81 3.396 -2.081 5.061 1.00 0.00 H new ATOM 0 HG23 ILE A 81 3.298 -1.562 3.362 1.00 0.00 H new ATOM 0 HD11 ILE A 81 7.248 0.429 2.705 1.00 0.00 H new ATOM 0 HD12 ILE A 81 7.168 0.257 4.475 1.00 0.00 H new ATOM 0 HD13 ILE A 81 6.787 -1.131 3.428 1.00 0.00 H new ATOM 1194 N GLN A 82 1.303 -0.419 5.972 1.00 0.00 N ATOM 1195 CA GLN A 82 0.509 -0.995 7.051 1.00 0.00 C ATOM 1196 C GLN A 82 0.378 -2.506 6.883 1.00 0.00 C ATOM 1197 O GLN A 82 0.333 -3.248 7.865 1.00 0.00 O ATOM 1198 CB GLN A 82 -0.880 -0.353 7.090 1.00 0.00 C ATOM 1199 CG GLN A 82 -0.850 1.146 7.343 1.00 0.00 C ATOM 1200 CD GLN A 82 -0.848 1.489 8.819 1.00 0.00 C ATOM 1201 OE1 GLN A 82 -1.833 1.259 9.523 1.00 0.00 O ATOM 1202 NE2 GLN A 82 0.260 2.042 9.298 1.00 0.00 N ATOM 0 H GLN A 82 0.852 -0.442 5.057 1.00 0.00 H new ATOM 0 HA GLN A 82 1.021 -0.794 7.992 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -1.386 -0.543 6.143 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -1.471 -0.833 7.870 1.00 0.00 H new ATOM 0 HG2 GLN A 82 0.037 1.572 6.874 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -1.715 1.608 6.868 1.00 0.00 H new ATOM 0 HE21 GLN A 82 1.052 2.215 8.679 1.00 0.00 H new ATOM 0 HE22 GLN A 82 0.319 2.294 10.285 1.00 0.00 H new ATOM 1211 N PHE A 83 0.316 -2.954 5.634 1.00 0.00 N ATOM 1212 CA PHE A 83 0.190 -4.377 5.339 1.00 0.00 C ATOM 1213 C PHE A 83 1.338 -4.855 4.455 1.00 0.00 C ATOM 1214 O PHE A 83 1.821 -4.118 3.594 1.00 0.00 O ATOM 1215 CB PHE A 83 -1.149 -4.661 4.653 1.00 0.00 C ATOM 1216 CG PHE A 83 -1.558 -6.105 4.707 1.00 0.00 C ATOM 1217 CD1 PHE A 83 -2.066 -6.651 5.875 1.00 0.00 C ATOM 1218 CD2 PHE A 83 -1.433 -6.916 3.590 1.00 0.00 C ATOM 1219 CE1 PHE A 83 -2.444 -7.979 5.927 1.00 0.00 C ATOM 1220 CE2 PHE A 83 -1.809 -8.245 3.637 1.00 0.00 C ATOM 1221 CZ PHE A 83 -2.315 -8.777 4.807 1.00 0.00 C ATOM 0 H PHE A 83 0.351 -2.353 4.810 1.00 0.00 H new ATOM 0 HA PHE A 83 0.231 -4.922 6.282 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -1.924 -4.055 5.122 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -1.087 -4.348 3.611 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -2.168 -6.032 6.754 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -1.037 -6.505 2.673 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -2.840 -8.393 6.843 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -1.707 -8.867 2.760 1.00 0.00 H new ATOM 0 HZ PHE A 83 -2.609 -9.815 4.846 1.00 0.00 H new ATOM 1231 N LEU A 84 1.771 -6.092 4.674 1.00 0.00 N ATOM 1232 CA LEU A 84 2.862 -6.669 3.899 1.00 0.00 C ATOM 1233 C LEU A 84 2.706 -8.182 3.782 1.00 0.00 C ATOM 1234 O LEU A 84 2.979 -8.918 4.729 1.00 0.00 O ATOM 1235 CB LEU A 84 4.208 -6.332 4.543 1.00 0.00 C ATOM 1236 CG LEU A 84 4.769 -4.954 4.189 1.00 0.00 C ATOM 1237 CD1 LEU A 84 5.964 -4.622 5.069 1.00 0.00 C ATOM 1238 CD2 LEU A 84 5.155 -4.899 2.718 1.00 0.00 C ATOM 0 H LEU A 84 1.382 -6.714 5.383 1.00 0.00 H new ATOM 0 HA LEU A 84 2.829 -6.240 2.898 1.00 0.00 H new ATOM 0 HB2 LEU A 84 4.102 -6.397 5.626 1.00 0.00 H new ATOM 0 HB3 LEU A 84 4.934 -7.090 4.248 1.00 0.00 H new ATOM 0 HG LEU A 84 3.994 -4.209 4.369 1.00 0.00 H new ATOM 0 HD11 LEU A 84 6.350 -3.638 4.803 1.00 0.00 H new ATOM 0 HD12 LEU A 84 5.656 -4.620 6.115 1.00 0.00 H new ATOM 0 HD13 LEU A 84 6.743 -5.369 4.921 1.00 0.00 H new ATOM 0 HD21 LEU A 84 5.552 -3.912 2.483 1.00 0.00 H new ATOM 0 HD22 LEU A 84 5.914 -5.654 2.513 1.00 0.00 H new ATOM 0 HD23 LEU A 84 4.276 -5.092 2.104 1.00 0.00 H new ATOM 1250 N GLY A 85 2.267 -8.639 2.614 1.00 0.00 N ATOM 1251 CA GLY A 85 2.082 -10.062 2.397 1.00 0.00 C ATOM 1252 C GLY A 85 1.168 -10.357 1.224 1.00 0.00 C ATOM 1253 O GLY A 85 1.123 -9.597 0.257 1.00 0.00 O ATOM 0 H GLY A 85 2.036 -8.050 1.814 1.00 0.00 H new ATOM 0 HA2 GLY A 85 3.052 -10.529 2.224 1.00 0.00 H new ATOM 0 HA3 GLY A 85 1.667 -10.513 3.299 1.00 0.00 H new ATOM 1257 N GLU A 86 0.439 -11.464 1.309 1.00 0.00 N ATOM 1258 CA GLU A 86 -0.480 -11.860 0.247 1.00 0.00 C ATOM 1259 C GLU A 86 -1.896 -11.377 0.543 1.00 0.00 C ATOM 1260 O GLU A 86 -2.300 -11.281 1.702 1.00 0.00 O ATOM 1261 CB GLU A 86 -0.471 -13.380 0.077 1.00 0.00 C ATOM 1262 CG GLU A 86 0.805 -13.915 -0.551 1.00 0.00 C ATOM 1263 CD GLU A 86 0.916 -15.425 -0.452 1.00 0.00 C ATOM 1264 OE1 GLU A 86 0.613 -15.973 0.629 1.00 0.00 O ATOM 1265 OE2 GLU A 86 1.303 -16.058 -1.456 1.00 0.00 O ATOM 0 H GLU A 86 0.466 -12.104 2.103 1.00 0.00 H new ATOM 0 HA GLU A 86 -0.145 -11.396 -0.681 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -0.609 -13.847 1.052 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -1.320 -13.673 -0.540 1.00 0.00 H new ATOM 0 HG2 GLU A 86 0.841 -13.620 -1.600 1.00 0.00 H new ATOM 0 HG3 GLU A 86 1.665 -13.458 -0.062 1.00 0.00 H new ATOM 1272 N THR A 87 -2.645 -11.074 -0.512 1.00 0.00 N ATOM 1273 CA THR A 87 -4.016 -10.601 -0.366 1.00 0.00 C ATOM 1274 C THR A 87 -5.007 -11.754 -0.487 1.00 0.00 C ATOM 1275 O THR A 87 -4.613 -12.913 -0.618 1.00 0.00 O ATOM 1276 CB THR A 87 -4.325 -9.537 -1.420 1.00 0.00 C ATOM 1277 OG1 THR A 87 -4.143 -10.057 -2.725 1.00 0.00 O ATOM 1278 CG2 THR A 87 -3.460 -8.300 -1.295 1.00 0.00 C ATOM 0 H THR A 87 -2.325 -11.148 -1.478 1.00 0.00 H new ATOM 0 HA THR A 87 -4.117 -10.162 0.626 1.00 0.00 H new ATOM 0 HB THR A 87 -5.363 -9.254 -1.248 1.00 0.00 H new ATOM 0 HG1 THR A 87 -4.484 -9.416 -3.383 1.00 0.00 H new ATOM 0 HG21 THR A 87 -3.731 -7.586 -2.073 1.00 0.00 H new ATOM 0 HG22 THR A 87 -3.614 -7.846 -0.316 1.00 0.00 H new ATOM 0 HG23 THR A 87 -2.412 -8.576 -1.406 1.00 0.00 H new ATOM 1286 N GLN A 88 -6.295 -11.429 -0.442 1.00 0.00 N ATOM 1287 CA GLN A 88 -7.343 -12.438 -0.549 1.00 0.00 C ATOM 1288 C GLN A 88 -8.150 -12.262 -1.832 1.00 0.00 C ATOM 1289 O GLN A 88 -9.280 -12.740 -1.935 1.00 0.00 O ATOM 1290 CB GLN A 88 -8.270 -12.367 0.667 1.00 0.00 C ATOM 1291 CG GLN A 88 -8.211 -13.602 1.550 1.00 0.00 C ATOM 1292 CD GLN A 88 -7.160 -13.491 2.638 1.00 0.00 C ATOM 1293 OE1 GLN A 88 -6.298 -14.360 2.775 1.00 0.00 O ATOM 1294 NE2 GLN A 88 -7.226 -12.418 3.417 1.00 0.00 N ATOM 0 H GLN A 88 -6.638 -10.475 -0.332 1.00 0.00 H new ATOM 0 HA GLN A 88 -6.866 -13.417 -0.580 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -8.008 -11.492 1.262 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -9.295 -12.224 0.324 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -9.187 -13.764 2.008 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -7.999 -14.475 0.933 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -7.958 -11.723 3.267 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -6.545 -12.288 4.165 1.00 0.00 H new ATOM 1303 N PHE A 89 -7.566 -11.575 -2.810 1.00 0.00 N ATOM 1304 CA PHE A 89 -8.236 -11.341 -4.085 1.00 0.00 C ATOM 1305 C PHE A 89 -7.343 -11.748 -5.254 1.00 0.00 C ATOM 1306 O PHE A 89 -7.810 -12.342 -6.226 1.00 0.00 O ATOM 1307 CB PHE A 89 -8.634 -9.869 -4.217 1.00 0.00 C ATOM 1308 CG PHE A 89 -7.473 -8.919 -4.124 1.00 0.00 C ATOM 1309 CD1 PHE A 89 -6.689 -8.650 -5.235 1.00 0.00 C ATOM 1310 CD2 PHE A 89 -7.168 -8.294 -2.926 1.00 0.00 C ATOM 1311 CE1 PHE A 89 -5.623 -7.775 -5.152 1.00 0.00 C ATOM 1312 CE2 PHE A 89 -6.102 -7.417 -2.837 1.00 0.00 C ATOM 1313 CZ PHE A 89 -5.329 -7.158 -3.952 1.00 0.00 C ATOM 0 H PHE A 89 -6.632 -11.171 -2.744 1.00 0.00 H new ATOM 0 HA PHE A 89 -9.136 -11.955 -4.110 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -9.137 -9.722 -5.173 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -9.355 -9.625 -3.437 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -6.914 -9.130 -6.176 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -7.769 -8.494 -2.051 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -5.020 -7.574 -6.025 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -5.875 -6.936 -1.897 1.00 0.00 H new ATOM 0 HZ PHE A 89 -4.496 -6.474 -3.885 1.00 0.00 H new ATOM 1323 N ALA A 90 -6.058 -11.425 -5.153 1.00 0.00 N ATOM 1324 CA ALA A 90 -5.103 -11.758 -6.201 1.00 0.00 C ATOM 1325 C ALA A 90 -3.898 -12.504 -5.630 1.00 0.00 C ATOM 1326 O ALA A 90 -3.373 -12.134 -4.579 1.00 0.00 O ATOM 1327 CB ALA A 90 -4.650 -10.497 -6.922 1.00 0.00 C ATOM 0 H ALA A 90 -5.655 -10.933 -4.356 1.00 0.00 H new ATOM 0 HA ALA A 90 -5.600 -12.414 -6.915 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -3.936 -10.761 -7.703 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -5.513 -10.004 -7.370 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -4.176 -9.821 -6.210 1.00 0.00 H new ATOM 1333 N PRO A 91 -3.441 -13.568 -6.313 1.00 0.00 N ATOM 1334 CA PRO A 91 -2.293 -14.360 -5.862 1.00 0.00 C ATOM 1335 C PRO A 91 -0.968 -13.638 -6.078 1.00 0.00 C ATOM 1336 O PRO A 91 -0.507 -13.490 -7.209 1.00 0.00 O ATOM 1337 CB PRO A 91 -2.366 -15.612 -6.735 1.00 0.00 C ATOM 1338 CG PRO A 91 -3.032 -15.157 -7.987 1.00 0.00 C ATOM 1339 CD PRO A 91 -4.004 -14.084 -7.577 1.00 0.00 C ATOM 0 HA PRO A 91 -2.333 -14.564 -4.792 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -1.373 -16.013 -6.937 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -2.936 -16.403 -6.247 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -2.302 -14.770 -8.698 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -3.547 -15.983 -8.477 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -4.078 -13.301 -8.332 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -5.007 -14.485 -7.434 1.00 0.00 H new ATOM 1347 N GLY A 92 -0.359 -13.188 -4.984 1.00 0.00 N ATOM 1348 CA GLY A 92 0.908 -12.487 -5.077 1.00 0.00 C ATOM 1349 C GLY A 92 1.216 -11.681 -3.831 1.00 0.00 C ATOM 1350 O GLY A 92 0.505 -11.774 -2.830 1.00 0.00 O ATOM 0 H GLY A 92 -0.721 -13.297 -4.036 1.00 0.00 H new ATOM 0 HA2 GLY A 92 1.707 -13.208 -5.246 1.00 0.00 H new ATOM 0 HA3 GLY A 92 0.890 -11.822 -5.941 1.00 0.00 H new ATOM 1354 N GLN A 93 2.280 -10.885 -3.892 1.00 0.00 N ATOM 1355 CA GLN A 93 2.683 -10.059 -2.760 1.00 0.00 C ATOM 1356 C GLN A 93 2.220 -8.617 -2.948 1.00 0.00 C ATOM 1357 O GLN A 93 2.398 -8.032 -4.016 1.00 0.00 O ATOM 1358 CB GLN A 93 4.203 -10.104 -2.584 1.00 0.00 C ATOM 1359 CG GLN A 93 4.656 -10.990 -1.435 1.00 0.00 C ATOM 1360 CD GLN A 93 4.723 -10.245 -0.116 1.00 0.00 C ATOM 1361 OE1 GLN A 93 4.232 -9.123 0.002 1.00 0.00 O ATOM 1362 NE2 GLN A 93 5.334 -10.867 0.885 1.00 0.00 N ATOM 0 H GLN A 93 2.878 -10.795 -4.713 1.00 0.00 H new ATOM 0 HA GLN A 93 2.210 -10.458 -1.863 1.00 0.00 H new ATOM 0 HB2 GLN A 93 4.657 -10.461 -3.508 1.00 0.00 H new ATOM 0 HB3 GLN A 93 4.571 -9.092 -2.418 1.00 0.00 H new ATOM 0 HG2 GLN A 93 3.971 -11.832 -1.338 1.00 0.00 H new ATOM 0 HG3 GLN A 93 5.638 -11.403 -1.665 1.00 0.00 H new ATOM 0 HE21 GLN A 93 5.727 -11.797 0.743 1.00 0.00 H new ATOM 0 HE22 GLN A 93 5.410 -10.415 1.796 1.00 0.00 H new ATOM 1371 N TRP A 94 1.626 -8.051 -1.903 1.00 0.00 N ATOM 1372 CA TRP A 94 1.138 -6.677 -1.952 1.00 0.00 C ATOM 1373 C TRP A 94 1.579 -5.899 -0.717 1.00 0.00 C ATOM 1374 O TRP A 94 2.116 -6.472 0.231 1.00 0.00 O ATOM 1375 CB TRP A 94 -0.387 -6.661 -2.064 1.00 0.00 C ATOM 1376 CG TRP A 94 -0.899 -7.320 -3.309 1.00 0.00 C ATOM 1377 CD1 TRP A 94 -1.039 -8.660 -3.528 1.00 0.00 C ATOM 1378 CD2 TRP A 94 -1.336 -6.668 -4.507 1.00 0.00 C ATOM 1379 NE1 TRP A 94 -1.537 -8.883 -4.788 1.00 0.00 N ATOM 1380 CE2 TRP A 94 -1.728 -7.676 -5.409 1.00 0.00 C ATOM 1381 CE3 TRP A 94 -1.436 -5.333 -4.903 1.00 0.00 C ATOM 1382 CZ2 TRP A 94 -2.210 -7.387 -6.683 1.00 0.00 C ATOM 1383 CZ3 TRP A 94 -1.915 -5.047 -6.168 1.00 0.00 C ATOM 1384 CH2 TRP A 94 -2.297 -6.070 -7.045 1.00 0.00 C ATOM 0 H TRP A 94 1.471 -8.522 -1.012 1.00 0.00 H new ATOM 0 HA TRP A 94 1.565 -6.196 -2.832 1.00 0.00 H new ATOM 0 HB2 TRP A 94 -0.813 -7.162 -1.195 1.00 0.00 H new ATOM 0 HB3 TRP A 94 -0.735 -5.628 -2.039 1.00 0.00 H new ATOM 0 HD1 TRP A 94 -0.794 -9.432 -2.814 1.00 0.00 H new ATOM 0 HE1 TRP A 94 -1.733 -9.797 -5.195 1.00 0.00 H new ATOM 0 HE3 TRP A 94 -1.144 -4.538 -4.233 1.00 0.00 H new ATOM 0 HZ2 TRP A 94 -2.505 -8.174 -7.361 1.00 0.00 H new ATOM 0 HZ3 TRP A 94 -1.996 -4.018 -6.485 1.00 0.00 H new ATOM 0 HH2 TRP A 94 -2.668 -5.814 -8.027 1.00 0.00 H new ATOM 1395 N ALA A 95 1.348 -4.590 -0.734 1.00 0.00 N ATOM 1396 CA ALA A 95 1.721 -3.733 0.384 1.00 0.00 C ATOM 1397 C ALA A 95 0.726 -2.591 0.558 1.00 0.00 C ATOM 1398 O ALA A 95 0.647 -1.691 -0.279 1.00 0.00 O ATOM 1399 CB ALA A 95 3.127 -3.186 0.182 1.00 0.00 C ATOM 0 H ALA A 95 0.904 -4.100 -1.511 1.00 0.00 H new ATOM 0 HA ALA A 95 1.704 -4.335 1.293 1.00 0.00 H new ATOM 0 HB1 ALA A 95 3.393 -2.547 1.024 1.00 0.00 H new ATOM 0 HB2 ALA A 95 3.833 -4.014 0.116 1.00 0.00 H new ATOM 0 HB3 ALA A 95 3.162 -2.605 -0.739 1.00 0.00 H new ATOM 1405 N GLY A 96 -0.029 -2.632 1.651 1.00 0.00 N ATOM 1406 CA GLY A 96 -1.007 -1.593 1.915 1.00 0.00 C ATOM 1407 C GLY A 96 -0.388 -0.361 2.546 1.00 0.00 C ATOM 1408 O GLY A 96 -0.173 -0.318 3.757 1.00 0.00 O ATOM 0 H GLY A 96 0.019 -3.366 2.358 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -1.496 -1.313 0.982 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -1.781 -1.986 2.575 1.00 0.00 H new ATOM 1412 N ILE A 97 -0.101 0.642 1.723 1.00 0.00 N ATOM 1413 CA ILE A 97 0.499 1.879 2.207 1.00 0.00 C ATOM 1414 C ILE A 97 -0.554 2.970 2.377 1.00 0.00 C ATOM 1415 O ILE A 97 -1.579 2.968 1.696 1.00 0.00 O ATOM 1416 CB ILE A 97 1.597 2.385 1.250 1.00 0.00 C ATOM 1417 CG1 ILE A 97 2.582 1.259 0.926 1.00 0.00 C ATOM 1418 CG2 ILE A 97 2.324 3.575 1.858 1.00 0.00 C ATOM 1419 CD1 ILE A 97 2.909 1.150 -0.547 1.00 0.00 C ATOM 0 H ILE A 97 -0.274 0.622 0.718 1.00 0.00 H new ATOM 0 HA ILE A 97 0.947 1.655 3.175 1.00 0.00 H new ATOM 0 HB ILE A 97 1.127 2.708 0.321 1.00 0.00 H new ATOM 0 HG12 ILE A 97 3.504 1.422 1.484 1.00 0.00 H new ATOM 0 HG13 ILE A 97 2.165 0.312 1.269 1.00 0.00 H new ATOM 0 HG21 ILE A 97 3.096 3.920 1.170 1.00 0.00 H new ATOM 0 HG22 ILE A 97 1.613 4.381 2.040 1.00 0.00 H new ATOM 0 HG23 ILE A 97 2.784 3.277 2.800 1.00 0.00 H new ATOM 0 HD11 ILE A 97 3.612 0.332 -0.704 1.00 0.00 H new ATOM 0 HD12 ILE A 97 1.995 0.956 -1.109 1.00 0.00 H new ATOM 0 HD13 ILE A 97 3.355 2.083 -0.891 1.00 0.00 H new ATOM 1431 N VAL A 98 -0.292 3.902 3.288 1.00 0.00 N ATOM 1432 CA VAL A 98 -1.215 5.000 3.548 1.00 0.00 C ATOM 1433 C VAL A 98 -0.640 6.326 3.059 1.00 0.00 C ATOM 1434 O VAL A 98 0.283 6.873 3.662 1.00 0.00 O ATOM 1435 CB VAL A 98 -1.544 5.117 5.048 1.00 0.00 C ATOM 1436 CG1 VAL A 98 -2.624 6.162 5.281 1.00 0.00 C ATOM 1437 CG2 VAL A 98 -1.967 3.768 5.611 1.00 0.00 C ATOM 0 H VAL A 98 0.553 3.918 3.859 1.00 0.00 H new ATOM 0 HA VAL A 98 -2.132 4.779 3.001 1.00 0.00 H new ATOM 0 HB VAL A 98 -0.643 5.437 5.572 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -2.842 6.229 6.347 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -2.277 7.130 4.920 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -3.528 5.877 4.743 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -2.195 3.872 6.672 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -2.852 3.415 5.082 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -1.157 3.050 5.483 1.00 0.00 H new ATOM 1447 N LEU A 99 -1.192 6.837 1.964 1.00 0.00 N ATOM 1448 CA LEU A 99 -0.733 8.099 1.394 1.00 0.00 C ATOM 1449 C LEU A 99 -1.081 9.268 2.310 1.00 0.00 C ATOM 1450 O LEU A 99 -1.918 9.142 3.204 1.00 0.00 O ATOM 1451 CB LEU A 99 -1.354 8.317 0.014 1.00 0.00 C ATOM 1452 CG LEU A 99 -1.235 7.130 -0.945 1.00 0.00 C ATOM 1453 CD1 LEU A 99 -2.206 7.283 -2.105 1.00 0.00 C ATOM 1454 CD2 LEU A 99 0.193 7.001 -1.455 1.00 0.00 C ATOM 0 H LEU A 99 -1.958 6.397 1.453 1.00 0.00 H new ATOM 0 HA LEU A 99 0.351 8.049 1.293 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -2.410 8.557 0.141 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -0.883 9.185 -0.447 1.00 0.00 H new ATOM 0 HG LEU A 99 -1.490 6.220 -0.403 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -2.108 6.430 -2.777 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -3.226 7.328 -1.722 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -1.982 8.201 -2.649 1.00 0.00 H new ATOM 0 HD21 LEU A 99 0.261 6.152 -2.136 1.00 0.00 H new ATOM 0 HD22 LEU A 99 0.475 7.912 -1.982 1.00 0.00 H new ATOM 0 HD23 LEU A 99 0.867 6.846 -0.613 1.00 0.00 H new ATOM 1466 N ASP A 100 -0.433 10.406 2.081 1.00 0.00 N ATOM 1467 CA ASP A 100 -0.675 11.599 2.884 1.00 0.00 C ATOM 1468 C ASP A 100 -1.463 12.638 2.092 1.00 0.00 C ATOM 1469 O ASP A 100 -1.326 13.840 2.318 1.00 0.00 O ATOM 1470 CB ASP A 100 0.651 12.199 3.355 1.00 0.00 C ATOM 1471 CG ASP A 100 1.118 11.609 4.671 1.00 0.00 C ATOM 1472 OD1 ASP A 100 1.122 10.366 4.796 1.00 0.00 O ATOM 1473 OD2 ASP A 100 1.478 12.389 5.576 1.00 0.00 O ATOM 0 H ASP A 100 0.264 10.527 1.346 1.00 0.00 H new ATOM 0 HA ASP A 100 -1.264 11.308 3.754 1.00 0.00 H new ATOM 0 HB2 ASP A 100 1.413 12.031 2.594 1.00 0.00 H new ATOM 0 HB3 ASP A 100 0.540 13.278 3.463 1.00 0.00 H new ATOM 1478 N GLU A 101 -2.289 12.166 1.162 1.00 0.00 N ATOM 1479 CA GLU A 101 -3.099 13.054 0.337 1.00 0.00 C ATOM 1480 C GLU A 101 -4.224 12.282 -0.349 1.00 0.00 C ATOM 1481 O GLU A 101 -4.084 11.093 -0.641 1.00 0.00 O ATOM 1482 CB GLU A 101 -2.225 13.748 -0.710 1.00 0.00 C ATOM 1483 CG GLU A 101 -1.937 15.206 -0.392 1.00 0.00 C ATOM 1484 CD GLU A 101 -0.768 15.757 -1.184 1.00 0.00 C ATOM 1485 OE1 GLU A 101 0.042 14.950 -1.686 1.00 0.00 O ATOM 1486 OE2 GLU A 101 -0.662 16.996 -1.303 1.00 0.00 O ATOM 0 H GLU A 101 -2.414 11.174 0.962 1.00 0.00 H new ATOM 0 HA GLU A 101 -3.544 13.809 0.985 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -1.281 13.210 -0.797 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -2.717 13.687 -1.681 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -2.825 15.802 -0.601 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -1.729 15.307 0.673 1.00 0.00 H new ATOM 1493 N PRO A 102 -5.360 12.949 -0.616 1.00 0.00 N ATOM 1494 CA PRO A 102 -6.510 12.319 -1.271 1.00 0.00 C ATOM 1495 C PRO A 102 -6.243 12.013 -2.741 1.00 0.00 C ATOM 1496 O PRO A 102 -6.900 12.556 -3.629 1.00 0.00 O ATOM 1497 CB PRO A 102 -7.616 13.367 -1.132 1.00 0.00 C ATOM 1498 CG PRO A 102 -6.895 14.666 -1.026 1.00 0.00 C ATOM 1499 CD PRO A 102 -5.610 14.368 -0.301 1.00 0.00 C ATOM 0 HA PRO A 102 -6.759 11.357 -0.823 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -8.284 13.354 -1.993 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -8.229 13.181 -0.250 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -6.698 15.085 -2.013 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -7.490 15.399 -0.481 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -4.796 15.006 -0.647 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -5.708 14.530 0.772 1.00 0.00 H new ATOM 1507 N ILE A 103 -5.272 11.140 -2.990 1.00 0.00 N ATOM 1508 CA ILE A 103 -4.915 10.760 -4.352 1.00 0.00 C ATOM 1509 C ILE A 103 -4.757 9.250 -4.479 1.00 0.00 C ATOM 1510 O ILE A 103 -3.972 8.764 -5.293 1.00 0.00 O ATOM 1511 CB ILE A 103 -3.608 11.441 -4.801 1.00 0.00 C ATOM 1512 CG1 ILE A 103 -2.475 11.112 -3.828 1.00 0.00 C ATOM 1513 CG2 ILE A 103 -3.802 12.946 -4.905 1.00 0.00 C ATOM 1514 CD1 ILE A 103 -1.096 11.263 -4.431 1.00 0.00 C ATOM 0 H ILE A 103 -4.718 10.682 -2.266 1.00 0.00 H new ATOM 0 HA ILE A 103 -5.729 11.092 -4.996 1.00 0.00 H new ATOM 0 HB ILE A 103 -3.339 11.060 -5.786 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -2.555 11.763 -2.957 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -2.597 10.089 -3.474 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -2.869 13.412 -5.223 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -4.583 13.163 -5.634 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -4.093 13.343 -3.933 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -0.343 11.013 -3.684 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -0.997 10.592 -5.284 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -0.953 12.292 -4.760 1.00 0.00 H new ATOM 1526 N GLY A 104 -5.508 8.511 -3.668 1.00 0.00 N ATOM 1527 CA GLY A 104 -5.436 7.062 -3.707 1.00 0.00 C ATOM 1528 C GLY A 104 -6.565 6.445 -4.509 1.00 0.00 C ATOM 1529 O GLY A 104 -7.097 7.070 -5.428 1.00 0.00 O ATOM 0 H GLY A 104 -6.164 8.890 -2.985 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -4.481 6.761 -4.138 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -5.463 6.673 -2.689 1.00 0.00 H new ATOM 1533 N LYS A 105 -6.934 5.216 -4.163 1.00 0.00 N ATOM 1534 CA LYS A 105 -8.007 4.516 -4.857 1.00 0.00 C ATOM 1535 C LYS A 105 -8.830 3.676 -3.884 1.00 0.00 C ATOM 1536 O LYS A 105 -10.051 3.812 -3.811 1.00 0.00 O ATOM 1537 CB LYS A 105 -7.432 3.623 -5.959 1.00 0.00 C ATOM 1538 CG LYS A 105 -7.183 4.355 -7.267 1.00 0.00 C ATOM 1539 CD LYS A 105 -5.810 5.007 -7.288 1.00 0.00 C ATOM 1540 CE LYS A 105 -5.148 4.868 -8.649 1.00 0.00 C ATOM 1541 NZ LYS A 105 -4.394 6.094 -9.028 1.00 0.00 N ATOM 0 H LYS A 105 -6.505 4.685 -3.405 1.00 0.00 H new ATOM 0 HA LYS A 105 -8.662 5.262 -5.307 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -6.495 3.189 -5.611 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -8.119 2.796 -6.140 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -7.267 3.655 -8.098 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -7.950 5.116 -7.411 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -5.904 6.063 -7.034 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -5.178 4.551 -6.526 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -4.470 4.014 -8.637 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -5.908 4.662 -9.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -3.958 5.958 -9.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -5.045 6.904 -9.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -3.652 6.277 -8.323 1.00 0.00 H new ATOM 1555 N ASN A 106 -8.151 2.808 -3.140 1.00 0.00 N ATOM 1556 CA ASN A 106 -8.820 1.946 -2.173 1.00 0.00 C ATOM 1557 C ASN A 106 -8.735 2.534 -0.768 1.00 0.00 C ATOM 1558 O ASN A 106 -8.032 3.517 -0.538 1.00 0.00 O ATOM 1559 CB ASN A 106 -8.199 0.548 -2.191 1.00 0.00 C ATOM 1560 CG ASN A 106 -8.410 -0.161 -3.514 1.00 0.00 C ATOM 1561 OD1 ASN A 106 -7.458 -0.636 -4.135 1.00 0.00 O ATOM 1562 ND2 ASN A 106 -9.660 -0.237 -3.954 1.00 0.00 N ATOM 0 H ASN A 106 -7.140 2.683 -3.188 1.00 0.00 H new ATOM 0 HA ASN A 106 -9.871 1.874 -2.454 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -7.131 0.625 -1.990 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -8.632 -0.049 -1.389 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -9.862 -0.703 -4.839 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -10.419 0.170 -3.407 1.00 0.00 H new ATOM 1569 N ASP A 107 -9.457 1.925 0.168 1.00 0.00 N ATOM 1570 CA ASP A 107 -9.463 2.389 1.551 1.00 0.00 C ATOM 1571 C ASP A 107 -8.915 1.316 2.487 1.00 0.00 C ATOM 1572 O ASP A 107 -9.323 1.221 3.644 1.00 0.00 O ATOM 1573 CB ASP A 107 -10.882 2.775 1.974 1.00 0.00 C ATOM 1574 CG ASP A 107 -11.507 3.796 1.044 1.00 0.00 C ATOM 1575 OD1 ASP A 107 -10.932 4.049 -0.036 1.00 0.00 O ATOM 1576 OD2 ASP A 107 -12.572 4.345 1.396 1.00 0.00 O ATOM 0 H ASP A 107 -10.045 1.110 -0.006 1.00 0.00 H new ATOM 0 HA ASP A 107 -8.820 3.266 1.617 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -11.506 1.882 1.999 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -10.859 3.177 2.987 1.00 0.00 H new ATOM 1581 N GLY A 108 -7.989 0.512 1.978 1.00 0.00 N ATOM 1582 CA GLY A 108 -7.399 -0.543 2.782 1.00 0.00 C ATOM 1583 C GLY A 108 -8.363 -1.685 3.038 1.00 0.00 C ATOM 1584 O GLY A 108 -8.380 -2.260 4.127 1.00 0.00 O ATOM 0 H GLY A 108 -7.636 0.571 1.023 1.00 0.00 H new ATOM 0 HA2 GLY A 108 -6.512 -0.927 2.278 1.00 0.00 H new ATOM 0 HA3 GLY A 108 -7.070 -0.129 3.735 1.00 0.00 H new ATOM 1588 N SER A 109 -9.166 -2.015 2.032 1.00 0.00 N ATOM 1589 CA SER A 109 -10.137 -3.097 2.153 1.00 0.00 C ATOM 1590 C SER A 109 -10.521 -3.639 0.780 1.00 0.00 C ATOM 1591 O SER A 109 -10.805 -2.876 -0.143 1.00 0.00 O ATOM 1592 CB SER A 109 -11.386 -2.609 2.889 1.00 0.00 C ATOM 1593 OG SER A 109 -11.576 -1.217 2.708 1.00 0.00 O ATOM 0 H SER A 109 -9.164 -1.549 1.124 1.00 0.00 H new ATOM 0 HA SER A 109 -9.677 -3.902 2.726 1.00 0.00 H new ATOM 0 HB2 SER A 109 -12.260 -3.148 2.524 1.00 0.00 H new ATOM 0 HB3 SER A 109 -11.295 -2.831 3.952 1.00 0.00 H new ATOM 0 HG SER A 109 -12.382 -0.932 3.187 1.00 0.00 H new ATOM 1599 N VAL A 110 -10.527 -4.962 0.654 1.00 0.00 N ATOM 1600 CA VAL A 110 -10.876 -5.608 -0.606 1.00 0.00 C ATOM 1601 C VAL A 110 -11.970 -6.651 -0.405 1.00 0.00 C ATOM 1602 O VAL A 110 -11.781 -7.633 0.314 1.00 0.00 O ATOM 1603 CB VAL A 110 -9.651 -6.284 -1.250 1.00 0.00 C ATOM 1604 CG1 VAL A 110 -9.986 -6.776 -2.650 1.00 0.00 C ATOM 1605 CG2 VAL A 110 -8.469 -5.327 -1.281 1.00 0.00 C ATOM 0 H VAL A 110 -10.294 -5.607 1.409 1.00 0.00 H new ATOM 0 HA VAL A 110 -11.241 -4.825 -1.271 1.00 0.00 H new ATOM 0 HB VAL A 110 -9.375 -7.147 -0.644 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -9.108 -7.251 -3.089 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -10.800 -7.498 -2.597 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -10.290 -5.932 -3.269 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -7.612 -5.821 -1.739 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -8.732 -4.443 -1.862 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -8.215 -5.030 -0.264 1.00 0.00 H new ATOM 1615 N ALA A 111 -13.115 -6.431 -1.044 1.00 0.00 N ATOM 1616 CA ALA A 111 -14.239 -7.352 -0.934 1.00 0.00 C ATOM 1617 C ALA A 111 -14.689 -7.501 0.515 1.00 0.00 C ATOM 1618 O ALA A 111 -15.178 -8.556 0.919 1.00 0.00 O ATOM 1619 CB ALA A 111 -13.869 -8.708 -1.516 1.00 0.00 C ATOM 0 H ALA A 111 -13.288 -5.623 -1.643 1.00 0.00 H new ATOM 0 HA ALA A 111 -15.071 -6.939 -1.504 1.00 0.00 H new ATOM 0 HB1 ALA A 111 -14.718 -9.386 -1.427 1.00 0.00 H new ATOM 0 HB2 ALA A 111 -13.605 -8.593 -2.567 1.00 0.00 H new ATOM 0 HB3 ALA A 111 -13.019 -9.118 -0.971 1.00 0.00 H new ATOM 1625 N GLY A 112 -14.517 -6.438 1.295 1.00 0.00 N ATOM 1626 CA GLY A 112 -14.910 -6.471 2.692 1.00 0.00 C ATOM 1627 C GLY A 112 -13.756 -6.822 3.613 1.00 0.00 C ATOM 1628 O GLY A 112 -13.783 -6.500 4.800 1.00 0.00 O ATOM 0 H GLY A 112 -14.113 -5.555 0.984 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -15.314 -5.499 2.975 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -15.710 -7.199 2.824 1.00 0.00 H new ATOM 1632 N VAL A 113 -12.741 -7.485 3.066 1.00 0.00 N ATOM 1633 CA VAL A 113 -11.577 -7.879 3.848 1.00 0.00 C ATOM 1634 C VAL A 113 -10.734 -6.666 4.230 1.00 0.00 C ATOM 1635 O VAL A 113 -10.163 -5.999 3.367 1.00 0.00 O ATOM 1636 CB VAL A 113 -10.695 -8.881 3.079 1.00 0.00 C ATOM 1637 CG1 VAL A 113 -9.596 -9.427 3.977 1.00 0.00 C ATOM 1638 CG2 VAL A 113 -11.541 -10.009 2.511 1.00 0.00 C ATOM 0 H VAL A 113 -12.703 -7.760 2.084 1.00 0.00 H new ATOM 0 HA VAL A 113 -11.952 -8.357 4.753 1.00 0.00 H new ATOM 0 HB VAL A 113 -10.223 -8.358 2.247 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -8.984 -10.133 3.415 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -8.972 -8.606 4.329 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -10.043 -9.935 4.832 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -10.901 -10.707 1.971 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -12.044 -10.532 3.325 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -12.286 -9.598 1.829 1.00 0.00 H new ATOM 1648 N ARG A 114 -10.661 -6.388 5.527 1.00 0.00 N ATOM 1649 CA ARG A 114 -9.887 -5.256 6.023 1.00 0.00 C ATOM 1650 C ARG A 114 -8.445 -5.665 6.304 1.00 0.00 C ATOM 1651 O ARG A 114 -8.177 -6.442 7.221 1.00 0.00 O ATOM 1652 CB ARG A 114 -10.527 -4.691 7.292 1.00 0.00 C ATOM 1653 CG ARG A 114 -10.250 -3.212 7.507 1.00 0.00 C ATOM 1654 CD ARG A 114 -10.859 -2.714 8.808 1.00 0.00 C ATOM 1655 NE ARG A 114 -12.275 -2.387 8.661 1.00 0.00 N ATOM 1656 CZ ARG A 114 -12.722 -1.258 8.118 1.00 0.00 C ATOM 1657 NH1 ARG A 114 -11.869 -0.346 7.665 1.00 0.00 N ATOM 1658 NH2 ARG A 114 -14.027 -1.039 8.024 1.00 0.00 N ATOM 0 H ARG A 114 -11.128 -6.931 6.254 1.00 0.00 H new ATOM 0 HA ARG A 114 -9.883 -4.485 5.253 1.00 0.00 H new ATOM 0 HB2 ARG A 114 -11.605 -4.847 7.246 1.00 0.00 H new ATOM 0 HB3 ARG A 114 -10.161 -5.250 8.153 1.00 0.00 H new ATOM 0 HG2 ARG A 114 -9.174 -3.040 7.519 1.00 0.00 H new ATOM 0 HG3 ARG A 114 -10.655 -2.640 6.672 1.00 0.00 H new ATOM 0 HD2 ARG A 114 -10.741 -3.476 9.578 1.00 0.00 H new ATOM 0 HD3 ARG A 114 -10.317 -1.831 9.147 1.00 0.00 H new ATOM 0 HE ARG A 114 -12.961 -3.064 8.994 1.00 0.00 H new ATOM 0 HH11 ARG A 114 -10.864 -0.509 7.732 1.00 0.00 H new ATOM 0 HH12 ARG A 114 -12.219 0.518 7.250 1.00 0.00 H new ATOM 0 HH21 ARG A 114 -14.687 -1.736 8.368 1.00 0.00 H new ATOM 0 HH22 ARG A 114 -14.370 -0.173 7.608 1.00 0.00 H new ATOM 1672 N TYR A 115 -7.519 -5.136 5.511 1.00 0.00 N ATOM 1673 CA TYR A 115 -6.104 -5.446 5.675 1.00 0.00 C ATOM 1674 C TYR A 115 -5.429 -4.438 6.600 1.00 0.00 C ATOM 1675 O TYR A 115 -4.632 -4.809 7.462 1.00 0.00 O ATOM 1676 CB TYR A 115 -5.402 -5.460 4.316 1.00 0.00 C ATOM 1677 CG TYR A 115 -5.983 -6.463 3.346 1.00 0.00 C ATOM 1678 CD1 TYR A 115 -7.170 -6.200 2.673 1.00 0.00 C ATOM 1679 CD2 TYR A 115 -5.345 -7.673 3.102 1.00 0.00 C ATOM 1680 CE1 TYR A 115 -7.705 -7.115 1.786 1.00 0.00 C ATOM 1681 CE2 TYR A 115 -5.873 -8.593 2.216 1.00 0.00 C ATOM 1682 CZ TYR A 115 -7.052 -8.308 1.561 1.00 0.00 C ATOM 1683 OH TYR A 115 -7.582 -9.221 0.677 1.00 0.00 O ATOM 0 H TYR A 115 -7.723 -4.490 4.748 1.00 0.00 H new ATOM 0 HA TYR A 115 -6.025 -6.435 6.127 1.00 0.00 H new ATOM 0 HB2 TYR A 115 -5.461 -4.465 3.876 1.00 0.00 H new ATOM 0 HB3 TYR A 115 -4.345 -5.681 4.465 1.00 0.00 H new ATOM 0 HD1 TYR A 115 -7.683 -5.265 2.846 1.00 0.00 H new ATOM 0 HD2 TYR A 115 -4.421 -7.898 3.613 1.00 0.00 H new ATOM 0 HE1 TYR A 115 -8.629 -6.897 1.272 1.00 0.00 H new ATOM 0 HE2 TYR A 115 -5.365 -9.529 2.038 1.00 0.00 H new ATOM 0 HH TYR A 115 -8.415 -8.867 0.302 1.00 0.00 H new ATOM 1693 N PHE A 116 -5.752 -3.162 6.414 1.00 0.00 N ATOM 1694 CA PHE A 116 -5.177 -2.102 7.232 1.00 0.00 C ATOM 1695 C PHE A 116 -6.106 -0.893 7.288 1.00 0.00 C ATOM 1696 O PHE A 116 -6.497 -0.350 6.255 1.00 0.00 O ATOM 1697 CB PHE A 116 -3.813 -1.686 6.677 1.00 0.00 C ATOM 1698 CG PHE A 116 -3.878 -1.109 5.297 1.00 0.00 C ATOM 1699 CD1 PHE A 116 -4.110 -1.926 4.204 1.00 0.00 C ATOM 1700 CD2 PHE A 116 -3.704 0.249 5.090 1.00 0.00 C ATOM 1701 CE1 PHE A 116 -4.166 -1.402 2.930 1.00 0.00 C ATOM 1702 CE2 PHE A 116 -3.759 0.781 3.818 1.00 0.00 C ATOM 1703 CZ PHE A 116 -3.991 -0.047 2.737 1.00 0.00 C ATOM 0 H PHE A 116 -6.409 -2.838 5.704 1.00 0.00 H new ATOM 0 HA PHE A 116 -5.049 -2.486 8.244 1.00 0.00 H new ATOM 0 HB2 PHE A 116 -3.366 -0.953 7.348 1.00 0.00 H new ATOM 0 HB3 PHE A 116 -3.154 -2.554 6.668 1.00 0.00 H new ATOM 0 HD1 PHE A 116 -4.249 -2.987 4.351 1.00 0.00 H new ATOM 0 HD2 PHE A 116 -3.523 0.899 5.933 1.00 0.00 H new ATOM 0 HE1 PHE A 116 -4.346 -2.050 2.085 1.00 0.00 H new ATOM 0 HE2 PHE A 116 -3.621 1.842 3.668 1.00 0.00 H new ATOM 0 HZ PHE A 116 -4.035 0.366 1.740 1.00 0.00 H new ATOM 1713 N GLN A 117 -6.453 -0.477 8.501 1.00 0.00 N ATOM 1714 CA GLN A 117 -7.336 0.669 8.692 1.00 0.00 C ATOM 1715 C GLN A 117 -6.646 1.963 8.271 1.00 0.00 C ATOM 1716 O GLN A 117 -5.565 2.289 8.762 1.00 0.00 O ATOM 1717 CB GLN A 117 -7.775 0.763 10.154 1.00 0.00 C ATOM 1718 CG GLN A 117 -9.203 1.252 10.330 1.00 0.00 C ATOM 1719 CD GLN A 117 -9.416 2.644 9.769 1.00 0.00 C ATOM 1720 OE1 GLN A 117 -8.821 3.614 10.241 1.00 0.00 O ATOM 1721 NE2 GLN A 117 -10.268 2.750 8.756 1.00 0.00 N ATOM 0 H GLN A 117 -6.137 -0.915 9.366 1.00 0.00 H new ATOM 0 HA GLN A 117 -8.216 0.527 8.065 1.00 0.00 H new ATOM 0 HB2 GLN A 117 -7.676 -0.218 10.618 1.00 0.00 H new ATOM 0 HB3 GLN A 117 -7.101 1.436 10.684 1.00 0.00 H new ATOM 0 HG2 GLN A 117 -9.884 0.558 9.838 1.00 0.00 H new ATOM 0 HG3 GLN A 117 -9.456 1.249 11.390 1.00 0.00 H new ATOM 0 HE21 GLN A 117 -10.739 1.920 8.397 1.00 0.00 H new ATOM 0 HE22 GLN A 117 -10.452 3.662 8.337 1.00 0.00 H new ATOM 1730 N CYS A 118 -7.278 2.695 7.360 1.00 0.00 N ATOM 1731 CA CYS A 118 -6.724 3.953 6.874 1.00 0.00 C ATOM 1732 C CYS A 118 -7.829 4.873 6.367 1.00 0.00 C ATOM 1733 O CYS A 118 -9.008 4.522 6.399 1.00 0.00 O ATOM 1734 CB CYS A 118 -5.711 3.690 5.758 1.00 0.00 C ATOM 1735 SG CYS A 118 -6.417 2.909 4.288 1.00 0.00 S ATOM 0 H CYS A 118 -8.173 2.439 6.944 1.00 0.00 H new ATOM 0 HA CYS A 118 -6.219 4.445 7.705 1.00 0.00 H new ATOM 0 HB2 CYS A 118 -5.252 4.635 5.469 1.00 0.00 H new ATOM 0 HB3 CYS A 118 -4.915 3.055 6.147 1.00 0.00 H new ATOM 0 HG CYS A 118 -5.608 1.988 3.855 1.00 0.00 H new ATOM 1741 N GLU A 119 -7.438 6.055 5.898 1.00 0.00 N ATOM 1742 CA GLU A 119 -8.397 7.026 5.383 1.00 0.00 C ATOM 1743 C GLU A 119 -8.695 6.767 3.908 1.00 0.00 C ATOM 1744 O GLU A 119 -7.857 6.234 3.182 1.00 0.00 O ATOM 1745 CB GLU A 119 -7.860 8.448 5.565 1.00 0.00 C ATOM 1746 CG GLU A 119 -7.848 8.912 7.013 1.00 0.00 C ATOM 1747 CD GLU A 119 -8.745 10.113 7.248 1.00 0.00 C ATOM 1748 OE1 GLU A 119 -9.741 10.265 6.510 1.00 0.00 O ATOM 1749 OE2 GLU A 119 -8.450 10.903 8.169 1.00 0.00 O ATOM 0 H GLU A 119 -6.466 6.362 5.864 1.00 0.00 H new ATOM 0 HA GLU A 119 -9.324 6.919 5.946 1.00 0.00 H new ATOM 0 HB2 GLU A 119 -6.846 8.499 5.167 1.00 0.00 H new ATOM 0 HB3 GLU A 119 -8.468 9.135 4.977 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -8.169 8.092 7.656 1.00 0.00 H new ATOM 0 HG3 GLU A 119 -6.827 9.163 7.302 1.00 0.00 H new ATOM 1756 N PRO A 120 -9.899 7.142 3.444 1.00 0.00 N ATOM 1757 CA PRO A 120 -10.303 6.946 2.047 1.00 0.00 C ATOM 1758 C PRO A 120 -9.356 7.634 1.068 1.00 0.00 C ATOM 1759 O PRO A 120 -8.695 8.613 1.413 1.00 0.00 O ATOM 1760 CB PRO A 120 -11.694 7.586 1.977 1.00 0.00 C ATOM 1761 CG PRO A 120 -12.182 7.605 3.385 1.00 0.00 C ATOM 1762 CD PRO A 120 -10.960 7.783 4.240 1.00 0.00 C ATOM 0 HA PRO A 120 -10.291 5.892 1.769 1.00 0.00 H new ATOM 0 HB2 PRO A 120 -11.645 8.593 1.563 1.00 0.00 H new ATOM 0 HB3 PRO A 120 -12.361 7.010 1.336 1.00 0.00 H new ATOM 0 HG2 PRO A 120 -12.891 8.418 3.542 1.00 0.00 H new ATOM 0 HG3 PRO A 120 -12.700 6.678 3.632 1.00 0.00 H new ATOM 0 HD2 PRO A 120 -10.746 8.836 4.423 1.00 0.00 H new ATOM 0 HD3 PRO A 120 -11.077 7.307 5.214 1.00 0.00 H new ATOM 1770 N LEU A 121 -9.301 7.116 -0.156 1.00 0.00 N ATOM 1771 CA LEU A 121 -8.441 7.679 -1.191 1.00 0.00 C ATOM 1772 C LEU A 121 -7.005 7.832 -0.698 1.00 0.00 C ATOM 1773 O LEU A 121 -6.370 8.864 -0.915 1.00 0.00 O ATOM 1774 CB LEU A 121 -8.987 9.033 -1.645 1.00 0.00 C ATOM 1775 CG LEU A 121 -10.220 8.965 -2.548 1.00 0.00 C ATOM 1776 CD1 LEU A 121 -11.012 10.261 -2.466 1.00 0.00 C ATOM 1777 CD2 LEU A 121 -9.812 8.676 -3.985 1.00 0.00 C ATOM 0 H LEU A 121 -9.843 6.306 -0.455 1.00 0.00 H new ATOM 0 HA LEU A 121 -8.435 6.990 -2.036 1.00 0.00 H new ATOM 0 HB2 LEU A 121 -9.234 9.622 -0.762 1.00 0.00 H new ATOM 0 HB3 LEU A 121 -8.197 9.567 -2.174 1.00 0.00 H new ATOM 0 HG LEU A 121 -10.857 8.151 -2.202 1.00 0.00 H new ATOM 0 HD11 LEU A 121 -11.886 10.195 -3.115 1.00 0.00 H new ATOM 0 HD12 LEU A 121 -11.335 10.426 -1.438 1.00 0.00 H new ATOM 0 HD13 LEU A 121 -10.384 11.092 -2.787 1.00 0.00 H new ATOM 0 HD21 LEU A 121 -10.701 8.631 -4.614 1.00 0.00 H new ATOM 0 HD22 LEU A 121 -9.154 9.468 -4.343 1.00 0.00 H new ATOM 0 HD23 LEU A 121 -9.288 7.721 -4.029 1.00 0.00 H new ATOM 1789 N LYS A 122 -6.496 6.798 -0.037 1.00 0.00 N ATOM 1790 CA LYS A 122 -5.134 6.817 0.483 1.00 0.00 C ATOM 1791 C LYS A 122 -4.544 5.412 0.516 1.00 0.00 C ATOM 1792 O LYS A 122 -3.417 5.190 0.072 1.00 0.00 O ATOM 1793 CB LYS A 122 -5.109 7.428 1.884 1.00 0.00 C ATOM 1794 CG LYS A 122 -4.916 8.935 1.887 1.00 0.00 C ATOM 1795 CD LYS A 122 -5.823 9.613 2.901 1.00 0.00 C ATOM 1796 CE LYS A 122 -5.845 11.122 2.709 1.00 0.00 C ATOM 1797 NZ LYS A 122 -5.402 11.843 3.934 1.00 0.00 N ATOM 0 H LYS A 122 -7.007 5.935 0.151 1.00 0.00 H new ATOM 0 HA LYS A 122 -4.526 7.430 -0.183 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -6.043 7.189 2.392 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -4.306 6.966 2.458 1.00 0.00 H new ATOM 0 HG2 LYS A 122 -3.876 9.169 2.115 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -5.121 9.331 0.892 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -6.835 9.219 2.807 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -5.482 9.379 3.909 1.00 0.00 H new ATOM 0 HE2 LYS A 122 -5.197 11.391 1.875 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -6.854 11.440 2.445 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -5.431 12.868 3.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -6.035 11.606 4.724 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -4.430 11.559 4.172 1.00 0.00 H new ATOM 1811 N GLY A 123 -5.314 4.464 1.042 1.00 0.00 N ATOM 1812 CA GLY A 123 -4.849 3.092 1.120 1.00 0.00 C ATOM 1813 C GLY A 123 -4.853 2.401 -0.228 1.00 0.00 C ATOM 1814 O GLY A 123 -5.903 1.983 -0.717 1.00 0.00 O ATOM 0 H GLY A 123 -6.250 4.622 1.415 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -3.839 3.077 1.530 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -5.482 2.536 1.812 1.00 0.00 H new ATOM 1818 N ILE A 124 -3.676 2.284 -0.832 1.00 0.00 N ATOM 1819 CA ILE A 124 -3.544 1.641 -2.133 1.00 0.00 C ATOM 1820 C ILE A 124 -2.743 0.345 -2.026 1.00 0.00 C ATOM 1821 O ILE A 124 -1.846 0.226 -1.193 1.00 0.00 O ATOM 1822 CB ILE A 124 -2.865 2.576 -3.155 1.00 0.00 C ATOM 1823 CG1 ILE A 124 -2.812 1.915 -4.534 1.00 0.00 C ATOM 1824 CG2 ILE A 124 -1.466 2.953 -2.685 1.00 0.00 C ATOM 1825 CD1 ILE A 124 -2.880 2.902 -5.679 1.00 0.00 C ATOM 0 H ILE A 124 -2.799 2.627 -0.441 1.00 0.00 H new ATOM 0 HA ILE A 124 -4.552 1.412 -2.479 1.00 0.00 H new ATOM 0 HB ILE A 124 -3.457 3.488 -3.236 1.00 0.00 H new ATOM 0 HG12 ILE A 124 -1.891 1.338 -4.616 1.00 0.00 H new ATOM 0 HG13 ILE A 124 -3.639 1.210 -4.622 1.00 0.00 H new ATOM 0 HG21 ILE A 124 -1.001 3.613 -3.418 1.00 0.00 H new ATOM 0 HG22 ILE A 124 -1.530 3.465 -1.725 1.00 0.00 H new ATOM 0 HG23 ILE A 124 -0.864 2.051 -2.576 1.00 0.00 H new ATOM 0 HD11 ILE A 124 -2.837 2.364 -6.626 1.00 0.00 H new ATOM 0 HD12 ILE A 124 -3.813 3.462 -5.621 1.00 0.00 H new ATOM 0 HD13 ILE A 124 -2.038 3.592 -5.615 1.00 0.00 H new ATOM 1837 N PHE A 125 -3.074 -0.621 -2.877 1.00 0.00 N ATOM 1838 CA PHE A 125 -2.385 -1.906 -2.878 1.00 0.00 C ATOM 1839 C PHE A 125 -1.423 -2.007 -4.058 1.00 0.00 C ATOM 1840 O PHE A 125 -1.843 -2.193 -5.200 1.00 0.00 O ATOM 1841 CB PHE A 125 -3.398 -3.051 -2.932 1.00 0.00 C ATOM 1842 CG PHE A 125 -3.922 -3.453 -1.583 1.00 0.00 C ATOM 1843 CD1 PHE A 125 -3.175 -4.273 -0.751 1.00 0.00 C ATOM 1844 CD2 PHE A 125 -5.161 -3.014 -1.147 1.00 0.00 C ATOM 1845 CE1 PHE A 125 -3.654 -4.644 0.491 1.00 0.00 C ATOM 1846 CE2 PHE A 125 -5.646 -3.381 0.094 1.00 0.00 C ATOM 1847 CZ PHE A 125 -4.891 -4.198 0.914 1.00 0.00 C ATOM 0 H PHE A 125 -3.814 -0.538 -3.574 1.00 0.00 H new ATOM 0 HA PHE A 125 -1.809 -1.982 -1.956 1.00 0.00 H new ATOM 0 HB2 PHE A 125 -4.235 -2.755 -3.564 1.00 0.00 H new ATOM 0 HB3 PHE A 125 -2.932 -3.916 -3.404 1.00 0.00 H new ATOM 0 HD1 PHE A 125 -2.208 -4.626 -1.077 1.00 0.00 H new ATOM 0 HD2 PHE A 125 -5.756 -2.377 -1.785 1.00 0.00 H new ATOM 0 HE1 PHE A 125 -3.062 -5.282 1.130 1.00 0.00 H new ATOM 0 HE2 PHE A 125 -6.613 -3.030 0.422 1.00 0.00 H new ATOM 0 HZ PHE A 125 -5.268 -4.487 1.884 1.00 0.00 H new ATOM 1857 N THR A 126 -0.130 -1.882 -3.773 1.00 0.00 N ATOM 1858 CA THR A 126 0.892 -1.959 -4.809 1.00 0.00 C ATOM 1859 C THR A 126 2.043 -2.858 -4.371 1.00 0.00 C ATOM 1860 O THR A 126 2.192 -3.160 -3.187 1.00 0.00 O ATOM 1861 CB THR A 126 1.418 -0.562 -5.141 1.00 0.00 C ATOM 1862 OG1 THR A 126 2.371 -0.620 -6.187 1.00 0.00 O ATOM 1863 CG2 THR A 126 2.072 0.127 -3.963 1.00 0.00 C ATOM 0 H THR A 126 0.234 -1.727 -2.833 1.00 0.00 H new ATOM 0 HA THR A 126 0.438 -2.389 -5.701 1.00 0.00 H new ATOM 0 HB THR A 126 0.541 0.013 -5.437 1.00 0.00 H new ATOM 0 HG1 THR A 126 2.694 0.284 -6.386 1.00 0.00 H new ATOM 0 HG21 THR A 126 2.423 1.113 -4.267 1.00 0.00 H new ATOM 0 HG22 THR A 126 1.348 0.233 -3.155 1.00 0.00 H new ATOM 0 HG23 THR A 126 2.917 -0.468 -3.617 1.00 0.00 H new ATOM 1871 N ARG A 127 2.854 -3.286 -5.334 1.00 0.00 N ATOM 1872 CA ARG A 127 3.991 -4.152 -5.046 1.00 0.00 C ATOM 1873 C ARG A 127 5.094 -3.380 -4.321 1.00 0.00 C ATOM 1874 O ARG A 127 5.387 -2.235 -4.666 1.00 0.00 O ATOM 1875 CB ARG A 127 4.537 -4.757 -6.342 1.00 0.00 C ATOM 1876 CG ARG A 127 4.558 -6.278 -6.341 1.00 0.00 C ATOM 1877 CD ARG A 127 4.742 -6.833 -7.744 1.00 0.00 C ATOM 1878 NE ARG A 127 5.921 -6.277 -8.403 1.00 0.00 N ATOM 1879 CZ ARG A 127 6.502 -6.823 -9.468 1.00 0.00 C ATOM 1880 NH1 ARG A 127 6.017 -7.940 -9.997 1.00 0.00 N ATOM 1881 NH2 ARG A 127 7.571 -6.253 -10.006 1.00 0.00 N ATOM 0 H ARG A 127 2.745 -3.047 -6.320 1.00 0.00 H new ATOM 0 HA ARG A 127 3.650 -4.957 -4.394 1.00 0.00 H new ATOM 0 HB2 ARG A 127 3.930 -4.411 -7.179 1.00 0.00 H new ATOM 0 HB3 ARG A 127 5.549 -4.388 -6.508 1.00 0.00 H new ATOM 0 HG2 ARG A 127 5.366 -6.631 -5.700 1.00 0.00 H new ATOM 0 HG3 ARG A 127 3.627 -6.656 -5.918 1.00 0.00 H new ATOM 0 HD2 ARG A 127 4.832 -7.918 -7.695 1.00 0.00 H new ATOM 0 HD3 ARG A 127 3.856 -6.613 -8.340 1.00 0.00 H new ATOM 0 HE ARG A 127 6.323 -5.419 -8.024 1.00 0.00 H new ATOM 0 HH11 ARG A 127 5.195 -8.384 -9.587 1.00 0.00 H new ATOM 0 HH12 ARG A 127 6.466 -8.355 -10.814 1.00 0.00 H new ATOM 0 HH21 ARG A 127 7.949 -5.395 -9.603 1.00 0.00 H new ATOM 0 HH22 ARG A 127 8.016 -6.672 -10.823 1.00 0.00 H new ATOM 1895 N PRO A 128 5.724 -3.996 -3.303 1.00 0.00 N ATOM 1896 CA PRO A 128 6.798 -3.353 -2.537 1.00 0.00 C ATOM 1897 C PRO A 128 7.949 -2.894 -3.426 1.00 0.00 C ATOM 1898 O PRO A 128 8.561 -1.855 -3.179 1.00 0.00 O ATOM 1899 CB PRO A 128 7.273 -4.453 -1.582 1.00 0.00 C ATOM 1900 CG PRO A 128 6.128 -5.400 -1.485 1.00 0.00 C ATOM 1901 CD PRO A 128 5.442 -5.360 -2.821 1.00 0.00 C ATOM 0 HA PRO A 128 6.448 -2.454 -2.030 1.00 0.00 H new ATOM 0 HB2 PRO A 128 8.165 -4.950 -1.964 1.00 0.00 H new ATOM 0 HB3 PRO A 128 7.530 -4.044 -0.605 1.00 0.00 H new ATOM 0 HG2 PRO A 128 6.474 -6.408 -1.254 1.00 0.00 H new ATOM 0 HG3 PRO A 128 5.446 -5.107 -0.687 1.00 0.00 H new ATOM 0 HD2 PRO A 128 5.837 -6.116 -3.499 1.00 0.00 H new ATOM 0 HD3 PRO A 128 4.371 -5.542 -2.730 1.00 0.00 H new ATOM 1909 N SER A 129 8.240 -3.678 -4.459 1.00 0.00 N ATOM 1910 CA SER A 129 9.320 -3.357 -5.385 1.00 0.00 C ATOM 1911 C SER A 129 9.096 -1.998 -6.044 1.00 0.00 C ATOM 1912 O SER A 129 10.049 -1.320 -6.429 1.00 0.00 O ATOM 1913 CB SER A 129 9.439 -4.441 -6.458 1.00 0.00 C ATOM 1914 OG SER A 129 10.060 -5.605 -5.941 1.00 0.00 O ATOM 0 H SER A 129 7.742 -4.541 -4.676 1.00 0.00 H new ATOM 0 HA SER A 129 10.248 -3.313 -4.814 1.00 0.00 H new ATOM 0 HB2 SER A 129 8.448 -4.692 -6.837 1.00 0.00 H new ATOM 0 HB3 SER A 129 10.016 -4.061 -7.301 1.00 0.00 H new ATOM 0 HG SER A 129 10.122 -6.283 -6.646 1.00 0.00 H new ATOM 1920 N LYS A 130 7.832 -1.607 -6.174 1.00 0.00 N ATOM 1921 CA LYS A 130 7.488 -0.329 -6.788 1.00 0.00 C ATOM 1922 C LYS A 130 7.796 0.830 -5.846 1.00 0.00 C ATOM 1923 O LYS A 130 8.039 1.954 -6.288 1.00 0.00 O ATOM 1924 CB LYS A 130 6.008 -0.309 -7.176 1.00 0.00 C ATOM 1925 CG LYS A 130 5.742 -0.806 -8.587 1.00 0.00 C ATOM 1926 CD LYS A 130 5.847 0.320 -9.605 1.00 0.00 C ATOM 1927 CE LYS A 130 6.579 -0.127 -10.859 1.00 0.00 C ATOM 1928 NZ LYS A 130 5.980 0.457 -12.091 1.00 0.00 N ATOM 0 H LYS A 130 7.030 -2.156 -5.863 1.00 0.00 H new ATOM 0 HA LYS A 130 8.094 -0.211 -7.686 1.00 0.00 H new ATOM 0 HB2 LYS A 130 5.448 -0.924 -6.472 1.00 0.00 H new ATOM 0 HB3 LYS A 130 5.630 0.709 -7.081 1.00 0.00 H new ATOM 0 HG2 LYS A 130 6.455 -1.592 -8.837 1.00 0.00 H new ATOM 0 HG3 LYS A 130 4.748 -1.250 -8.636 1.00 0.00 H new ATOM 0 HD2 LYS A 130 4.848 0.666 -9.870 1.00 0.00 H new ATOM 0 HD3 LYS A 130 6.370 1.166 -9.160 1.00 0.00 H new ATOM 0 HE2 LYS A 130 7.627 0.166 -10.791 1.00 0.00 H new ATOM 0 HE3 LYS A 130 6.555 -1.215 -10.925 1.00 0.00 H new ATOM 0 HZ1 LYS A 130 6.508 0.127 -12.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 130 4.987 0.157 -12.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 130 6.025 1.495 -12.041 1.00 0.00 H new ATOM 1942 N LEU A 131 7.784 0.553 -4.546 1.00 0.00 N ATOM 1943 CA LEU A 131 8.061 1.575 -3.544 1.00 0.00 C ATOM 1944 C LEU A 131 9.524 2.003 -3.593 1.00 0.00 C ATOM 1945 O LEU A 131 10.397 1.228 -3.986 1.00 0.00 O ATOM 1946 CB LEU A 131 7.716 1.054 -2.148 1.00 0.00 C ATOM 1947 CG LEU A 131 6.401 0.279 -2.051 1.00 0.00 C ATOM 1948 CD1 LEU A 131 6.109 -0.096 -0.606 1.00 0.00 C ATOM 1949 CD2 LEU A 131 5.256 1.095 -2.634 1.00 0.00 C ATOM 0 H LEU A 131 7.585 -0.371 -4.162 1.00 0.00 H new ATOM 0 HA LEU A 131 7.440 2.444 -3.765 1.00 0.00 H new ATOM 0 HB2 LEU A 131 8.526 0.409 -1.808 1.00 0.00 H new ATOM 0 HB3 LEU A 131 7.673 1.900 -1.462 1.00 0.00 H new ATOM 0 HG LEU A 131 6.498 -0.639 -2.631 1.00 0.00 H new ATOM 0 HD11 LEU A 131 5.170 -0.647 -0.556 1.00 0.00 H new ATOM 0 HD12 LEU A 131 6.916 -0.719 -0.222 1.00 0.00 H new ATOM 0 HD13 LEU A 131 6.031 0.809 -0.004 1.00 0.00 H new ATOM 0 HD21 LEU A 131 4.329 0.528 -2.556 1.00 0.00 H new ATOM 0 HD22 LEU A 131 5.157 2.030 -2.082 1.00 0.00 H new ATOM 0 HD23 LEU A 131 5.461 1.313 -3.682 1.00 0.00 H new ATOM 1961 N THR A 132 9.786 3.243 -3.189 1.00 0.00 N ATOM 1962 CA THR A 132 11.143 3.775 -3.185 1.00 0.00 C ATOM 1963 C THR A 132 11.377 4.655 -1.961 1.00 0.00 C ATOM 1964 O THR A 132 10.439 5.235 -1.413 1.00 0.00 O ATOM 1965 CB THR A 132 11.403 4.578 -4.461 1.00 0.00 C ATOM 1966 OG1 THR A 132 10.749 5.833 -4.407 1.00 0.00 O ATOM 1967 CG2 THR A 132 10.939 3.872 -5.716 1.00 0.00 C ATOM 0 H THR A 132 9.076 3.897 -2.860 1.00 0.00 H new ATOM 0 HA THR A 132 11.836 2.935 -3.146 1.00 0.00 H new ATOM 0 HB THR A 132 12.485 4.699 -4.510 1.00 0.00 H new ATOM 0 HG1 THR A 132 9.799 5.698 -4.209 1.00 0.00 H new ATOM 0 HG21 THR A 132 11.153 4.495 -6.584 1.00 0.00 H new ATOM 0 HG22 THR A 132 11.463 2.921 -5.814 1.00 0.00 H new ATOM 0 HG23 THR A 132 9.866 3.690 -5.656 1.00 0.00 H new ATOM 1975 N ARG A 133 12.632 4.751 -1.537 1.00 0.00 N ATOM 1976 CA ARG A 133 12.988 5.560 -0.377 1.00 0.00 C ATOM 1977 C ARG A 133 13.255 7.007 -0.782 1.00 0.00 C ATOM 1978 O ARG A 133 14.149 7.283 -1.581 1.00 0.00 O ATOM 1979 CB ARG A 133 14.218 4.978 0.319 1.00 0.00 C ATOM 1980 CG ARG A 133 13.886 3.919 1.358 1.00 0.00 C ATOM 1981 CD ARG A 133 15.076 3.625 2.257 1.00 0.00 C ATOM 1982 NE ARG A 133 14.921 4.221 3.583 1.00 0.00 N ATOM 1983 CZ ARG A 133 15.928 4.411 4.432 1.00 0.00 C ATOM 1984 NH1 ARG A 133 17.162 4.054 4.100 1.00 0.00 N ATOM 1985 NH2 ARG A 133 15.700 4.959 5.618 1.00 0.00 N ATOM 0 H ARG A 133 13.420 4.278 -1.979 1.00 0.00 H new ATOM 0 HA ARG A 133 12.146 5.546 0.316 1.00 0.00 H new ATOM 0 HB2 ARG A 133 14.878 4.544 -0.432 1.00 0.00 H new ATOM 0 HB3 ARG A 133 14.769 5.786 0.800 1.00 0.00 H new ATOM 0 HG2 ARG A 133 13.045 4.255 1.965 1.00 0.00 H new ATOM 0 HG3 ARG A 133 13.572 3.003 0.857 1.00 0.00 H new ATOM 0 HD2 ARG A 133 15.198 2.546 2.356 1.00 0.00 H new ATOM 0 HD3 ARG A 133 15.985 4.007 1.792 1.00 0.00 H new ATOM 0 HE ARG A 133 13.987 4.508 3.874 1.00 0.00 H new ATOM 0 HH11 ARG A 133 17.343 3.631 3.190 1.00 0.00 H new ATOM 0 HH12 ARG A 133 17.930 4.202 4.755 1.00 0.00 H new ATOM 0 HH21 ARG A 133 14.753 5.235 5.879 1.00 0.00 H new ATOM 0 HH22 ARG A 133 16.471 5.105 6.269 1.00 0.00 H new ATOM 1999 N LYS A 134 12.474 7.925 -0.224 1.00 0.00 N ATOM 2000 CA LYS A 134 12.626 9.344 -0.526 1.00 0.00 C ATOM 2001 C LYS A 134 12.416 9.611 -2.013 1.00 0.00 C ATOM 2002 O LYS A 134 12.445 8.690 -2.830 1.00 0.00 O ATOM 2003 CB LYS A 134 14.012 9.832 -0.100 1.00 0.00 C ATOM 2004 CG LYS A 134 14.210 9.862 1.406 1.00 0.00 C ATOM 2005 CD LYS A 134 13.378 10.956 2.055 1.00 0.00 C ATOM 2006 CE LYS A 134 14.167 12.247 2.201 1.00 0.00 C ATOM 2007 NZ LYS A 134 13.803 13.242 1.156 1.00 0.00 N ATOM 0 H LYS A 134 11.729 7.712 0.440 1.00 0.00 H new ATOM 0 HA LYS A 134 11.867 9.891 0.033 1.00 0.00 H new ATOM 0 HB2 LYS A 134 14.768 9.185 -0.545 1.00 0.00 H new ATOM 0 HB3 LYS A 134 14.174 10.833 -0.499 1.00 0.00 H new ATOM 0 HG2 LYS A 134 13.936 8.896 1.829 1.00 0.00 H new ATOM 0 HG3 LYS A 134 15.264 10.022 1.632 1.00 0.00 H new ATOM 0 HD2 LYS A 134 12.486 11.140 1.456 1.00 0.00 H new ATOM 0 HD3 LYS A 134 13.040 10.623 3.036 1.00 0.00 H new ATOM 0 HE2 LYS A 134 13.985 12.674 3.187 1.00 0.00 H new ATOM 0 HE3 LYS A 134 15.233 12.030 2.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 134 14.621 13.854 0.959 1.00 0.00 H new ATOM 0 HZ2 LYS A 134 13.525 12.745 0.286 1.00 0.00 H new ATOM 0 HZ3 LYS A 134 13.009 13.823 1.492 1.00 0.00 H new