USER MOD reduce.3.24.130724 H: found=0, std=0, add=584, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 585 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 125 MET CE :methyl 146:sc= -1.6 (180deg=-4.19!) USER MOD Set 1.2: A 128 SER OG : rot -158:sc= 0.966 USER MOD Single : A 67 TYR OH : rot -28:sc= 0.738 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 HIS : no HD1:sc= -2.99! C(o=-3!,f=-4.5!) USER MOD Single : A 91 THR OG1 : rot -150:sc= -0.0548 USER MOD Single : A 94 GLN : amide:sc=-0.000579 X(o=-0.00058,f=-0.043) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 HIS : no HD1:sc= -1.51 K(o=-1.5,f=-3.4!) USER MOD Single : A 124 ASN : amide:sc= 0 X(o=0,f=-0.0083) USER MOD Single : A 126 ASN : amide:sc=-0.00367 X(o=-0.0037,f=-0.27) USER MOD Single : A 134 THR OG1 : rot 180:sc= 0 USER MOD Single : A 138 ASN : amide:sc= -0.0269 X(o=-0.027,f=-0.027) USER MOD ----------------------------------------------------------------- ATOM 882 N ARG A 64 -6.902 -3.444 12.059 1.00 0.00 N ATOM 883 CA ARG A 64 -6.919 -4.299 10.864 1.00 0.00 C ATOM 884 C ARG A 64 -6.029 -3.715 9.750 1.00 0.00 C ATOM 885 O ARG A 64 -6.013 -4.226 8.623 1.00 0.00 O ATOM 886 CB ARG A 64 -8.362 -4.464 10.355 1.00 0.00 C ATOM 887 CG ARG A 64 -9.296 -5.158 11.336 1.00 0.00 C ATOM 888 CD ARG A 64 -10.672 -5.378 10.730 1.00 0.00 C ATOM 889 NE ARG A 64 -11.622 -5.931 11.702 1.00 0.00 N ATOM 890 CZ ARG A 64 -12.589 -5.229 12.310 1.00 0.00 C ATOM 891 NH1 ARG A 64 -12.761 -3.932 12.063 1.00 0.00 N ATOM 892 NH2 ARG A 64 -13.392 -5.835 13.174 1.00 0.00 N ATOM 0 HA ARG A 64 -6.520 -5.275 11.139 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -8.767 -3.480 10.120 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -8.344 -5.032 9.425 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -8.869 -6.117 11.631 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -9.387 -4.557 12.241 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -11.055 -4.432 10.348 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -10.589 -6.055 9.880 1.00 0.00 H new ATOM 0 HE ARG A 64 -11.541 -6.921 11.932 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -12.151 -3.454 11.400 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -13.503 -3.417 12.537 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -13.272 -6.828 13.372 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -14.130 -5.308 13.641 1.00 0.00 H new ATOM 906 N VAL A 65 -5.278 -2.655 10.083 1.00 0.00 N ATOM 907 CA VAL A 65 -4.395 -1.976 9.122 1.00 0.00 C ATOM 908 C VAL A 65 -2.933 -2.373 9.365 1.00 0.00 C ATOM 909 O VAL A 65 -2.474 -2.400 10.509 1.00 0.00 O ATOM 910 CB VAL A 65 -4.533 -0.421 9.205 1.00 0.00 C ATOM 911 CG1 VAL A 65 -3.894 0.261 7.996 1.00 0.00 C ATOM 912 CG2 VAL A 65 -5.995 0.008 9.332 1.00 0.00 C ATOM 0 H VAL A 65 -5.265 -2.247 11.018 1.00 0.00 H new ATOM 0 HA VAL A 65 -4.700 -2.293 8.125 1.00 0.00 H new ATOM 0 HB VAL A 65 -4.002 -0.105 10.103 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -4.008 1.341 8.085 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -2.834 0.010 7.955 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -4.384 -0.081 7.084 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -6.052 1.095 9.387 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -6.553 -0.341 8.463 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -6.424 -0.424 10.236 1.00 0.00 H new ATOM 922 N LEU A 66 -2.220 -2.681 8.273 1.00 0.00 N ATOM 923 CA LEU A 66 -0.808 -3.087 8.341 1.00 0.00 C ATOM 924 C LEU A 66 0.063 -2.173 7.481 1.00 0.00 C ATOM 925 O LEU A 66 -0.423 -1.558 6.527 1.00 0.00 O ATOM 926 CB LEU A 66 -0.607 -4.555 7.895 1.00 0.00 C ATOM 927 CG LEU A 66 -1.857 -5.448 7.839 1.00 0.00 C ATOM 928 CD1 LEU A 66 -1.622 -6.613 6.890 1.00 0.00 C ATOM 929 CD2 LEU A 66 -2.229 -5.956 9.226 1.00 0.00 C ATOM 0 H LEU A 66 -2.600 -2.657 7.327 1.00 0.00 H new ATOM 0 HA LEU A 66 -0.506 -3.001 9.385 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -0.152 -4.548 6.905 1.00 0.00 H new ATOM 0 HB3 LEU A 66 0.110 -5.019 8.572 1.00 0.00 H new ATOM 0 HG LEU A 66 -2.690 -4.851 7.467 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -2.513 -7.240 6.857 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -1.409 -6.232 5.891 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -0.775 -7.203 7.241 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -3.117 -6.585 9.157 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -1.403 -6.538 9.634 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -2.434 -5.109 9.881 1.00 0.00 H new ATOM 941 N TYR A 67 1.350 -2.094 7.833 1.00 0.00 N ATOM 942 CA TYR A 67 2.322 -1.293 7.092 1.00 0.00 C ATOM 943 C TYR A 67 3.022 -2.173 6.057 1.00 0.00 C ATOM 944 O TYR A 67 3.372 -3.314 6.349 1.00 0.00 O ATOM 945 CB TYR A 67 3.356 -0.671 8.055 1.00 0.00 C ATOM 946 CG TYR A 67 4.424 0.173 7.373 1.00 0.00 C ATOM 947 CD1 TYR A 67 4.210 1.516 7.095 1.00 0.00 C ATOM 948 CD2 TYR A 67 5.641 -0.388 6.998 1.00 0.00 C ATOM 949 CE1 TYR A 67 5.178 2.277 6.461 1.00 0.00 C ATOM 950 CE2 TYR A 67 6.613 0.365 6.368 1.00 0.00 C ATOM 951 CZ TYR A 67 6.376 1.695 6.100 1.00 0.00 C ATOM 952 OH TYR A 67 7.340 2.447 5.469 1.00 0.00 O ATOM 0 H TYR A 67 1.744 -2.583 8.637 1.00 0.00 H new ATOM 0 HA TYR A 67 1.802 -0.482 6.582 1.00 0.00 H new ATOM 0 HB2 TYR A 67 2.831 -0.052 8.782 1.00 0.00 H new ATOM 0 HB3 TYR A 67 3.844 -1.472 8.611 1.00 0.00 H new ATOM 0 HD1 TYR A 67 3.274 1.975 7.378 1.00 0.00 H new ATOM 0 HD2 TYR A 67 5.829 -1.431 7.203 1.00 0.00 H new ATOM 0 HE1 TYR A 67 4.996 3.321 6.250 1.00 0.00 H new ATOM 0 HE2 TYR A 67 7.553 -0.087 6.087 1.00 0.00 H new ATOM 0 HH TYR A 67 6.912 3.170 4.965 1.00 0.00 H new ATOM 962 N VAL A 68 3.201 -1.633 4.854 1.00 0.00 N ATOM 963 CA VAL A 68 3.873 -2.354 3.770 1.00 0.00 C ATOM 964 C VAL A 68 4.918 -1.457 3.107 1.00 0.00 C ATOM 965 O VAL A 68 4.590 -0.366 2.634 1.00 0.00 O ATOM 966 CB VAL A 68 2.870 -2.902 2.704 1.00 0.00 C ATOM 967 CG1 VAL A 68 2.113 -4.101 3.255 1.00 0.00 C ATOM 968 CG2 VAL A 68 1.877 -1.839 2.229 1.00 0.00 C ATOM 0 H VAL A 68 2.890 -0.695 4.602 1.00 0.00 H new ATOM 0 HA VAL A 68 4.367 -3.217 4.216 1.00 0.00 H new ATOM 0 HB VAL A 68 3.463 -3.204 1.841 1.00 0.00 H new ATOM 0 HG11 VAL A 68 1.419 -4.471 2.501 1.00 0.00 H new ATOM 0 HG12 VAL A 68 2.820 -4.889 3.515 1.00 0.00 H new ATOM 0 HG13 VAL A 68 1.558 -3.803 4.144 1.00 0.00 H new ATOM 0 HG21 VAL A 68 1.204 -2.274 1.490 1.00 0.00 H new ATOM 0 HG22 VAL A 68 1.298 -1.477 3.078 1.00 0.00 H new ATOM 0 HG23 VAL A 68 2.421 -1.008 1.780 1.00 0.00 H new ATOM 978 N GLY A 69 6.172 -1.925 3.080 1.00 0.00 N ATOM 979 CA GLY A 69 7.246 -1.146 2.482 1.00 0.00 C ATOM 980 C GLY A 69 8.147 -1.966 1.586 1.00 0.00 C ATOM 981 O GLY A 69 8.307 -3.174 1.792 1.00 0.00 O ATOM 0 H GLY A 69 6.458 -2.827 3.461 1.00 0.00 H new ATOM 0 HA2 GLY A 69 6.815 -0.329 1.904 1.00 0.00 H new ATOM 0 HA3 GLY A 69 7.844 -0.695 3.274 1.00 0.00 H new ATOM 985 N GLY A 70 8.732 -1.295 0.593 1.00 0.00 N ATOM 986 CA GLY A 70 9.632 -1.949 -0.345 1.00 0.00 C ATOM 987 C GLY A 70 9.025 -2.096 -1.729 1.00 0.00 C ATOM 988 O GLY A 70 9.525 -2.871 -2.549 1.00 0.00 O ATOM 0 H GLY A 70 8.596 -0.299 0.421 1.00 0.00 H new ATOM 0 HA2 GLY A 70 10.556 -1.375 -0.416 1.00 0.00 H new ATOM 0 HA3 GLY A 70 9.897 -2.934 0.038 1.00 0.00 H new ATOM 992 N LEU A 71 7.943 -1.346 -1.982 1.00 0.00 N ATOM 993 CA LEU A 71 7.245 -1.382 -3.271 1.00 0.00 C ATOM 994 C LEU A 71 7.855 -0.370 -4.243 1.00 0.00 C ATOM 995 O LEU A 71 8.604 0.523 -3.837 1.00 0.00 O ATOM 996 CB LEU A 71 5.731 -1.093 -3.125 1.00 0.00 C ATOM 997 CG LEU A 71 5.045 -1.553 -1.831 1.00 0.00 C ATOM 998 CD1 LEU A 71 5.203 -0.513 -0.736 1.00 0.00 C ATOM 999 CD2 LEU A 71 3.573 -1.810 -2.092 1.00 0.00 C ATOM 0 H LEU A 71 7.532 -0.704 -1.305 1.00 0.00 H new ATOM 0 HA LEU A 71 7.364 -2.392 -3.662 1.00 0.00 H new ATOM 0 HB2 LEU A 71 5.583 -0.017 -3.221 1.00 0.00 H new ATOM 0 HB3 LEU A 71 5.216 -1.562 -3.964 1.00 0.00 H new ATOM 0 HG LEU A 71 5.520 -2.476 -1.498 1.00 0.00 H new ATOM 0 HD11 LEU A 71 4.709 -0.861 0.171 1.00 0.00 H new ATOM 0 HD12 LEU A 71 6.262 -0.355 -0.534 1.00 0.00 H new ATOM 0 HD13 LEU A 71 4.751 0.425 -1.058 1.00 0.00 H new ATOM 0 HD21 LEU A 71 3.092 -2.136 -1.170 1.00 0.00 H new ATOM 0 HD22 LEU A 71 3.100 -0.893 -2.443 1.00 0.00 H new ATOM 0 HD23 LEU A 71 3.468 -2.586 -2.850 1.00 0.00 H new ATOM 1011 N ALA A 72 7.523 -0.532 -5.524 1.00 0.00 N ATOM 1012 CA ALA A 72 8.016 0.346 -6.583 1.00 0.00 C ATOM 1013 C ALA A 72 7.083 1.538 -6.790 1.00 0.00 C ATOM 1014 O ALA A 72 5.892 1.461 -6.489 1.00 0.00 O ATOM 1015 CB ALA A 72 8.161 -0.438 -7.879 1.00 0.00 C ATOM 0 H ALA A 72 6.906 -1.274 -5.855 1.00 0.00 H new ATOM 0 HA ALA A 72 8.991 0.730 -6.283 1.00 0.00 H new ATOM 0 HB1 ALA A 72 8.529 0.222 -8.664 1.00 0.00 H new ATOM 0 HB2 ALA A 72 8.866 -1.256 -7.732 1.00 0.00 H new ATOM 0 HB3 ALA A 72 7.192 -0.843 -8.170 1.00 0.00 H new ATOM 1021 N GLU A 73 7.640 2.643 -7.304 1.00 0.00 N ATOM 1022 CA GLU A 73 6.872 3.873 -7.570 1.00 0.00 C ATOM 1023 C GLU A 73 5.740 3.625 -8.584 1.00 0.00 C ATOM 1024 O GLU A 73 4.697 4.282 -8.537 1.00 0.00 O ATOM 1025 CB GLU A 73 7.819 4.970 -8.078 1.00 0.00 C ATOM 1026 CG GLU A 73 7.169 6.340 -8.216 1.00 0.00 C ATOM 1027 CD GLU A 73 8.149 7.424 -8.630 1.00 0.00 C ATOM 1028 OE1 GLU A 73 8.732 7.313 -9.731 1.00 0.00 O ATOM 1029 OE2 GLU A 73 8.332 8.384 -7.853 1.00 0.00 O ATOM 0 H GLU A 73 8.628 2.713 -7.547 1.00 0.00 H new ATOM 0 HA GLU A 73 6.408 4.197 -6.638 1.00 0.00 H new ATOM 0 HB2 GLU A 73 8.665 5.049 -7.395 1.00 0.00 H new ATOM 0 HB3 GLU A 73 8.218 4.670 -9.047 1.00 0.00 H new ATOM 0 HG2 GLU A 73 6.367 6.283 -8.952 1.00 0.00 H new ATOM 0 HG3 GLU A 73 6.711 6.616 -7.266 1.00 0.00 H new ATOM 1036 N GLU A 74 5.976 2.672 -9.487 1.00 0.00 N ATOM 1037 CA GLU A 74 5.013 2.301 -10.535 1.00 0.00 C ATOM 1038 C GLU A 74 3.837 1.459 -10.001 1.00 0.00 C ATOM 1039 O GLU A 74 2.960 1.060 -10.778 1.00 0.00 O ATOM 1040 CB GLU A 74 5.730 1.538 -11.661 1.00 0.00 C ATOM 1041 CG GLU A 74 6.727 2.380 -12.448 1.00 0.00 C ATOM 1042 CD GLU A 74 7.367 1.611 -13.588 1.00 0.00 C ATOM 1043 OE1 GLU A 74 8.424 0.985 -13.361 1.00 0.00 O ATOM 1044 OE2 GLU A 74 6.813 1.637 -14.706 1.00 0.00 O ATOM 0 H GLU A 74 6.841 2.132 -9.516 1.00 0.00 H new ATOM 0 HA GLU A 74 4.592 3.230 -10.919 1.00 0.00 H new ATOM 0 HB2 GLU A 74 6.253 0.684 -11.231 1.00 0.00 H new ATOM 0 HB3 GLU A 74 4.983 1.141 -12.349 1.00 0.00 H new ATOM 0 HG2 GLU A 74 6.220 3.259 -12.847 1.00 0.00 H new ATOM 0 HG3 GLU A 74 7.505 2.739 -11.775 1.00 0.00 H new ATOM 1051 N VAL A 75 3.806 1.201 -8.678 1.00 0.00 N ATOM 1052 CA VAL A 75 2.724 0.399 -8.080 1.00 0.00 C ATOM 1053 C VAL A 75 1.547 1.294 -7.668 1.00 0.00 C ATOM 1054 O VAL A 75 1.747 2.386 -7.126 1.00 0.00 O ATOM 1055 CB VAL A 75 3.196 -0.493 -6.870 1.00 0.00 C ATOM 1056 CG1 VAL A 75 4.517 -1.194 -7.175 1.00 0.00 C ATOM 1057 CG2 VAL A 75 3.304 0.287 -5.558 1.00 0.00 C ATOM 0 H VAL A 75 4.506 1.531 -8.014 1.00 0.00 H new ATOM 0 HA VAL A 75 2.395 -0.292 -8.856 1.00 0.00 H new ATOM 0 HB VAL A 75 2.419 -1.246 -6.735 1.00 0.00 H new ATOM 0 HG11 VAL A 75 4.813 -1.801 -6.319 1.00 0.00 H new ATOM 0 HG12 VAL A 75 4.396 -1.834 -8.049 1.00 0.00 H new ATOM 0 HG13 VAL A 75 5.287 -0.449 -7.375 1.00 0.00 H new ATOM 0 HG21 VAL A 75 3.633 -0.382 -4.763 1.00 0.00 H new ATOM 0 HG22 VAL A 75 4.026 1.096 -5.674 1.00 0.00 H new ATOM 0 HG23 VAL A 75 2.330 0.704 -5.301 1.00 0.00 H new ATOM 1067 N ASP A 76 0.333 0.820 -7.946 1.00 0.00 N ATOM 1068 CA ASP A 76 -0.890 1.558 -7.618 1.00 0.00 C ATOM 1069 C ASP A 76 -1.751 0.773 -6.613 1.00 0.00 C ATOM 1070 O ASP A 76 -1.337 -0.289 -6.135 1.00 0.00 O ATOM 1071 CB ASP A 76 -1.681 1.890 -8.908 1.00 0.00 C ATOM 1072 CG ASP A 76 -1.956 0.683 -9.803 1.00 0.00 C ATOM 1073 OD1 ASP A 76 -2.483 -0.329 -9.294 1.00 0.00 O ATOM 1074 OD2 ASP A 76 -1.641 0.757 -11.008 1.00 0.00 O ATOM 0 H ASP A 76 0.168 -0.078 -8.401 1.00 0.00 H new ATOM 0 HA ASP A 76 -0.613 2.499 -7.143 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -2.631 2.346 -8.631 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -1.126 2.633 -9.480 1.00 0.00 H new ATOM 1079 N ASP A 77 -2.946 1.303 -6.296 1.00 0.00 N ATOM 1080 CA ASP A 77 -3.875 0.662 -5.348 1.00 0.00 C ATOM 1081 C ASP A 77 -4.335 -0.722 -5.837 1.00 0.00 C ATOM 1082 O ASP A 77 -4.607 -1.614 -5.028 1.00 0.00 O ATOM 1083 CB ASP A 77 -5.090 1.578 -5.078 1.00 0.00 C ATOM 1084 CG ASP A 77 -5.899 1.928 -6.326 1.00 0.00 C ATOM 1085 OD1 ASP A 77 -5.290 2.320 -7.346 1.00 0.00 O ATOM 1086 OD2 ASP A 77 -7.142 1.808 -6.278 1.00 0.00 O ATOM 0 H ASP A 77 -3.293 2.180 -6.686 1.00 0.00 H new ATOM 0 HA ASP A 77 -3.334 0.510 -4.414 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -5.747 1.089 -4.358 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -4.740 2.501 -4.615 1.00 0.00 H new ATOM 1091 N LYS A 78 -4.416 -0.876 -7.168 1.00 0.00 N ATOM 1092 CA LYS A 78 -4.839 -2.134 -7.807 1.00 0.00 C ATOM 1093 C LYS A 78 -3.783 -3.223 -7.618 1.00 0.00 C ATOM 1094 O LYS A 78 -4.109 -4.402 -7.455 1.00 0.00 O ATOM 1095 CB LYS A 78 -5.100 -1.921 -9.313 1.00 0.00 C ATOM 1096 CG LYS A 78 -6.086 -0.797 -9.650 1.00 0.00 C ATOM 1097 CD LYS A 78 -7.529 -1.151 -9.305 1.00 0.00 C ATOM 1098 CE LYS A 78 -8.465 0.012 -9.592 1.00 0.00 C ATOM 1099 NZ LYS A 78 -8.815 0.104 -11.036 1.00 0.00 N ATOM 0 H LYS A 78 -4.191 -0.134 -7.831 1.00 0.00 H new ATOM 0 HA LYS A 78 -5.764 -2.454 -7.328 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -4.150 -1.709 -9.804 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -5.477 -2.852 -9.736 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -5.799 0.105 -9.110 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -6.018 -0.567 -10.713 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -7.840 -2.022 -9.882 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -7.597 -1.425 -8.252 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -9.376 -0.103 -9.005 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -7.995 0.942 -9.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -9.455 0.910 -11.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -7.949 0.239 -11.595 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -9.287 -0.773 -11.335 1.00 0.00 H new ATOM 1113 N VAL A 79 -2.512 -2.795 -7.644 1.00 0.00 N ATOM 1114 CA VAL A 79 -1.359 -3.670 -7.483 1.00 0.00 C ATOM 1115 C VAL A 79 -1.263 -4.199 -6.038 1.00 0.00 C ATOM 1116 O VAL A 79 -1.117 -5.407 -5.818 1.00 0.00 O ATOM 1117 CB VAL A 79 -0.058 -2.898 -7.857 1.00 0.00 C ATOM 1118 CG1 VAL A 79 1.160 -3.779 -7.740 1.00 0.00 C ATOM 1119 CG2 VAL A 79 -0.135 -2.311 -9.263 1.00 0.00 C ATOM 0 H VAL A 79 -2.261 -1.816 -7.780 1.00 0.00 H new ATOM 0 HA VAL A 79 -1.479 -4.525 -8.149 1.00 0.00 H new ATOM 0 HB VAL A 79 0.033 -2.078 -7.144 1.00 0.00 H new ATOM 0 HG11 VAL A 79 2.049 -3.208 -8.008 1.00 0.00 H new ATOM 0 HG12 VAL A 79 1.254 -4.136 -6.714 1.00 0.00 H new ATOM 0 HG13 VAL A 79 1.059 -4.631 -8.413 1.00 0.00 H new ATOM 0 HG21 VAL A 79 0.790 -1.780 -9.487 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -0.277 -3.115 -9.986 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -0.974 -1.618 -9.322 1.00 0.00 H new ATOM 1129 N LEU A 80 -1.366 -3.277 -5.065 1.00 0.00 N ATOM 1130 CA LEU A 80 -1.284 -3.620 -3.640 1.00 0.00 C ATOM 1131 C LEU A 80 -2.483 -4.470 -3.189 1.00 0.00 C ATOM 1132 O LEU A 80 -2.328 -5.399 -2.391 1.00 0.00 O ATOM 1133 CB LEU A 80 -1.201 -2.344 -2.793 1.00 0.00 C ATOM 1134 CG LEU A 80 -0.400 -2.469 -1.488 1.00 0.00 C ATOM 1135 CD1 LEU A 80 0.237 -1.136 -1.127 1.00 0.00 C ATOM 1136 CD2 LEU A 80 -1.282 -2.964 -0.350 1.00 0.00 C ATOM 0 H LEU A 80 -1.507 -2.283 -5.245 1.00 0.00 H new ATOM 0 HA LEU A 80 -0.381 -4.213 -3.495 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -0.755 -1.555 -3.399 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -2.214 -2.024 -2.548 1.00 0.00 H new ATOM 0 HG LEU A 80 0.391 -3.203 -1.645 1.00 0.00 H new ATOM 0 HD11 LEU A 80 0.801 -1.241 -0.200 1.00 0.00 H new ATOM 0 HD12 LEU A 80 0.909 -0.825 -1.927 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -0.542 -0.385 -0.995 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -0.690 -3.043 0.561 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -2.100 -2.261 -0.191 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -1.689 -3.943 -0.604 1.00 0.00 H new ATOM 1148 N HIS A 81 -3.673 -4.138 -3.719 1.00 0.00 N ATOM 1149 CA HIS A 81 -4.920 -4.851 -3.398 1.00 0.00 C ATOM 1150 C HIS A 81 -4.922 -6.282 -3.968 1.00 0.00 C ATOM 1151 O HIS A 81 -5.246 -7.238 -3.260 1.00 0.00 O ATOM 1152 CB HIS A 81 -6.120 -4.058 -3.942 1.00 0.00 C ATOM 1153 CG HIS A 81 -7.415 -4.324 -3.232 1.00 0.00 C ATOM 1154 ND1 HIS A 81 -8.182 -5.448 -3.456 1.00 0.00 N ATOM 1155 CD2 HIS A 81 -8.085 -3.594 -2.307 1.00 0.00 C ATOM 1156 CE1 HIS A 81 -9.268 -5.396 -2.704 1.00 0.00 C ATOM 1157 NE2 HIS A 81 -9.231 -4.283 -1.997 1.00 0.00 N ATOM 0 H HIS A 81 -3.797 -3.371 -4.379 1.00 0.00 H new ATOM 0 HA HIS A 81 -4.995 -4.933 -2.314 1.00 0.00 H new ATOM 0 HB2 HIS A 81 -5.896 -2.993 -3.876 1.00 0.00 H new ATOM 0 HB3 HIS A 81 -6.245 -4.292 -4.999 1.00 0.00 H new ATOM 0 HD2 HIS A 81 -7.775 -2.647 -1.891 1.00 0.00 H new ATOM 0 HE1 HIS A 81 -10.052 -6.138 -2.674 1.00 0.00 H new ATOM 0 HE2 HIS A 81 -9.940 -3.983 -1.328 1.00 0.00 H new ATOM 1166 N ALA A 82 -4.544 -6.406 -5.250 1.00 0.00 N ATOM 1167 CA ALA A 82 -4.499 -7.698 -5.953 1.00 0.00 C ATOM 1168 C ALA A 82 -3.370 -8.616 -5.458 1.00 0.00 C ATOM 1169 O ALA A 82 -3.433 -9.834 -5.655 1.00 0.00 O ATOM 1170 CB ALA A 82 -4.363 -7.470 -7.451 1.00 0.00 C ATOM 0 H ALA A 82 -4.261 -5.614 -5.828 1.00 0.00 H new ATOM 0 HA ALA A 82 -5.438 -8.207 -5.734 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -4.330 -8.431 -7.964 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -5.217 -6.896 -7.811 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -3.444 -6.920 -7.653 1.00 0.00 H new ATOM 1176 N ALA A 83 -2.346 -8.027 -4.818 1.00 0.00 N ATOM 1177 CA ALA A 83 -1.193 -8.783 -4.317 1.00 0.00 C ATOM 1178 C ALA A 83 -1.479 -9.377 -2.944 1.00 0.00 C ATOM 1179 O ALA A 83 -1.006 -10.467 -2.612 1.00 0.00 O ATOM 1180 CB ALA A 83 0.034 -7.884 -4.255 1.00 0.00 C ATOM 0 H ALA A 83 -2.296 -7.025 -4.636 1.00 0.00 H new ATOM 0 HA ALA A 83 -1.000 -9.605 -5.007 1.00 0.00 H new ATOM 0 HB1 ALA A 83 0.885 -8.454 -3.882 1.00 0.00 H new ATOM 0 HB2 ALA A 83 0.260 -7.507 -5.253 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -0.162 -7.046 -3.586 1.00 0.00 H new ATOM 1186 N PHE A 84 -2.261 -8.636 -2.162 1.00 0.00 N ATOM 1187 CA PHE A 84 -2.633 -9.036 -0.813 1.00 0.00 C ATOM 1188 C PHE A 84 -4.046 -9.637 -0.753 1.00 0.00 C ATOM 1189 O PHE A 84 -4.509 -10.036 0.322 1.00 0.00 O ATOM 1190 CB PHE A 84 -2.538 -7.821 0.106 1.00 0.00 C ATOM 1191 CG PHE A 84 -1.130 -7.419 0.450 1.00 0.00 C ATOM 1192 CD1 PHE A 84 -0.441 -6.515 -0.342 1.00 0.00 C ATOM 1193 CD2 PHE A 84 -0.496 -7.947 1.564 1.00 0.00 C ATOM 1194 CE1 PHE A 84 0.853 -6.144 -0.030 1.00 0.00 C ATOM 1195 CE2 PHE A 84 0.798 -7.580 1.880 1.00 0.00 C ATOM 1196 CZ PHE A 84 1.473 -6.679 1.082 1.00 0.00 C ATOM 0 H PHE A 84 -2.654 -7.740 -2.450 1.00 0.00 H new ATOM 0 HA PHE A 84 -1.944 -9.815 -0.486 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -3.039 -6.978 -0.371 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -3.079 -8.033 1.028 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -0.921 -6.095 -1.214 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -1.019 -8.653 2.192 1.00 0.00 H new ATOM 0 HE1 PHE A 84 1.379 -5.437 -0.655 1.00 0.00 H new ATOM 0 HE2 PHE A 84 1.281 -7.998 2.751 1.00 0.00 H new ATOM 0 HZ PHE A 84 2.485 -6.393 1.327 1.00 0.00 H new ATOM 1206 N ILE A 85 -4.723 -9.710 -1.915 1.00 0.00 N ATOM 1207 CA ILE A 85 -6.086 -10.258 -2.005 1.00 0.00 C ATOM 1208 C ILE A 85 -6.160 -11.802 -1.764 1.00 0.00 C ATOM 1209 O ILE A 85 -7.178 -12.262 -1.238 1.00 0.00 O ATOM 1210 CB ILE A 85 -6.792 -9.829 -3.345 1.00 0.00 C ATOM 1211 CG1 ILE A 85 -8.318 -10.026 -3.262 1.00 0.00 C ATOM 1212 CG2 ILE A 85 -6.235 -10.555 -4.571 1.00 0.00 C ATOM 1213 CD1 ILE A 85 -9.063 -8.877 -2.605 1.00 0.00 C ATOM 0 H ILE A 85 -4.344 -9.394 -2.808 1.00 0.00 H new ATOM 0 HA ILE A 85 -6.644 -9.814 -1.180 1.00 0.00 H new ATOM 0 HB ILE A 85 -6.576 -8.768 -3.471 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -8.709 -10.168 -4.269 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -8.525 -10.941 -2.708 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -6.761 -10.217 -5.464 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -5.172 -10.336 -4.672 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -6.375 -11.629 -4.452 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -10.130 -9.098 -2.588 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -8.703 -8.746 -1.584 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -8.891 -7.961 -3.170 1.00 0.00 H new ATOM 1225 N PRO A 86 -5.119 -12.636 -2.130 1.00 0.00 N ATOM 1226 CA PRO A 86 -5.170 -14.104 -1.898 1.00 0.00 C ATOM 1227 C PRO A 86 -5.338 -14.494 -0.419 1.00 0.00 C ATOM 1228 O PRO A 86 -5.809 -15.595 -0.118 1.00 0.00 O ATOM 1229 CB PRO A 86 -3.816 -14.606 -2.413 1.00 0.00 C ATOM 1230 CG PRO A 86 -3.356 -13.563 -3.366 1.00 0.00 C ATOM 1231 CD PRO A 86 -3.848 -12.261 -2.807 1.00 0.00 C ATOM 0 HA PRO A 86 -6.035 -14.539 -2.400 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -3.106 -14.735 -1.596 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -3.915 -15.574 -2.905 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -2.270 -13.566 -3.456 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -3.759 -13.738 -4.364 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -3.133 -11.828 -2.108 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -4.013 -11.523 -3.592 1.00 0.00 H new ATOM 1239 N PHE A 87 -4.950 -13.584 0.490 1.00 0.00 N ATOM 1240 CA PHE A 87 -5.039 -13.829 1.942 1.00 0.00 C ATOM 1241 C PHE A 87 -6.452 -13.597 2.487 1.00 0.00 C ATOM 1242 O PHE A 87 -6.865 -14.261 3.442 1.00 0.00 O ATOM 1243 CB PHE A 87 -4.055 -12.927 2.705 1.00 0.00 C ATOM 1244 CG PHE A 87 -2.625 -13.049 2.248 1.00 0.00 C ATOM 1245 CD1 PHE A 87 -1.844 -14.131 2.633 1.00 0.00 C ATOM 1246 CD2 PHE A 87 -2.066 -12.081 1.427 1.00 0.00 C ATOM 1247 CE1 PHE A 87 -0.536 -14.244 2.207 1.00 0.00 C ATOM 1248 CE2 PHE A 87 -0.757 -12.191 1.000 1.00 0.00 C ATOM 1249 CZ PHE A 87 0.007 -13.275 1.389 1.00 0.00 C ATOM 0 H PHE A 87 -4.571 -12.669 0.245 1.00 0.00 H new ATOM 0 HA PHE A 87 -4.782 -14.877 2.095 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -4.372 -11.890 2.597 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -4.107 -13.168 3.767 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -2.265 -14.892 3.273 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -2.660 -11.233 1.119 1.00 0.00 H new ATOM 0 HE1 PHE A 87 0.061 -15.090 2.514 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -0.331 -11.430 0.363 1.00 0.00 H new ATOM 0 HZ PHE A 87 1.029 -13.363 1.052 1.00 0.00 H new ATOM 1259 N GLY A 88 -7.181 -12.658 1.873 1.00 0.00 N ATOM 1260 CA GLY A 88 -8.534 -12.346 2.312 1.00 0.00 C ATOM 1261 C GLY A 88 -9.088 -11.092 1.663 1.00 0.00 C ATOM 1262 O GLY A 88 -8.576 -10.639 0.635 1.00 0.00 O ATOM 0 H GLY A 88 -6.855 -12.108 1.078 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -9.188 -13.187 2.083 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -8.540 -12.222 3.395 1.00 0.00 H new ATOM 1266 N ASP A 89 -10.142 -10.536 2.275 1.00 0.00 N ATOM 1267 CA ASP A 89 -10.801 -9.325 1.775 1.00 0.00 C ATOM 1268 C ASP A 89 -10.082 -8.053 2.226 1.00 0.00 C ATOM 1269 O ASP A 89 -9.665 -7.942 3.383 1.00 0.00 O ATOM 1270 CB ASP A 89 -12.259 -9.280 2.245 1.00 0.00 C ATOM 1271 CG ASP A 89 -13.134 -10.339 1.592 1.00 0.00 C ATOM 1272 OD1 ASP A 89 -13.018 -10.543 0.363 1.00 0.00 O ATOM 1273 OD2 ASP A 89 -13.938 -10.967 2.313 1.00 0.00 O ATOM 0 H ASP A 89 -10.559 -10.912 3.127 1.00 0.00 H new ATOM 0 HA ASP A 89 -10.764 -9.366 0.686 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -12.289 -9.410 3.327 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -12.672 -8.294 2.031 1.00 0.00 H new ATOM 1278 N ILE A 90 -9.947 -7.105 1.295 1.00 0.00 N ATOM 1279 CA ILE A 90 -9.295 -5.820 1.566 1.00 0.00 C ATOM 1280 C ILE A 90 -10.303 -4.685 1.375 1.00 0.00 C ATOM 1281 O ILE A 90 -11.090 -4.699 0.423 1.00 0.00 O ATOM 1282 CB ILE A 90 -8.042 -5.602 0.662 1.00 0.00 C ATOM 1283 CG1 ILE A 90 -7.048 -6.759 0.844 1.00 0.00 C ATOM 1284 CG2 ILE A 90 -7.348 -4.271 0.978 1.00 0.00 C ATOM 1285 CD1 ILE A 90 -6.375 -7.192 -0.439 1.00 0.00 C ATOM 0 H ILE A 90 -10.284 -7.205 0.338 1.00 0.00 H new ATOM 0 HA ILE A 90 -8.946 -5.826 2.599 1.00 0.00 H new ATOM 0 HB ILE A 90 -8.382 -5.573 -0.373 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -6.284 -6.460 1.561 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -7.572 -7.612 1.274 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -6.479 -4.151 0.331 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -8.043 -3.449 0.809 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -7.027 -4.266 2.020 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -5.688 -8.012 -0.231 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -7.130 -7.523 -1.152 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -5.821 -6.353 -0.860 1.00 0.00 H new ATOM 1297 N THR A 91 -10.265 -3.710 2.289 1.00 0.00 N ATOM 1298 CA THR A 91 -11.181 -2.570 2.250 1.00 0.00 C ATOM 1299 C THR A 91 -10.611 -1.383 1.464 1.00 0.00 C ATOM 1300 O THR A 91 -11.188 -0.985 0.449 1.00 0.00 O ATOM 1301 CB THR A 91 -11.569 -2.106 3.673 1.00 0.00 C ATOM 1302 OG1 THR A 91 -10.438 -2.189 4.548 1.00 0.00 O ATOM 1303 CG2 THR A 91 -12.706 -2.952 4.228 1.00 0.00 C ATOM 0 H THR A 91 -9.606 -3.690 3.067 1.00 0.00 H new ATOM 0 HA THR A 91 -12.073 -2.922 1.731 1.00 0.00 H new ATOM 0 HB THR A 91 -11.902 -1.070 3.610 1.00 0.00 H new ATOM 0 HG1 THR A 91 -10.744 -2.367 5.462 1.00 0.00 H new ATOM 0 HG21 THR A 91 -12.961 -2.607 5.230 1.00 0.00 H new ATOM 0 HG22 THR A 91 -13.578 -2.861 3.580 1.00 0.00 H new ATOM 0 HG23 THR A 91 -12.395 -3.996 4.272 1.00 0.00 H new ATOM 1311 N ASP A 92 -9.480 -0.819 1.933 1.00 0.00 N ATOM 1312 CA ASP A 92 -8.864 0.344 1.273 1.00 0.00 C ATOM 1313 C ASP A 92 -7.335 0.320 1.339 1.00 0.00 C ATOM 1314 O ASP A 92 -6.749 -0.266 2.254 1.00 0.00 O ATOM 1315 CB ASP A 92 -9.365 1.649 1.920 1.00 0.00 C ATOM 1316 CG ASP A 92 -10.839 1.927 1.662 1.00 0.00 C ATOM 1317 OD1 ASP A 92 -11.288 1.759 0.507 1.00 0.00 O ATOM 1318 OD2 ASP A 92 -11.544 2.311 2.619 1.00 0.00 O ATOM 0 H ASP A 92 -8.980 -1.148 2.759 1.00 0.00 H new ATOM 0 HA ASP A 92 -9.158 0.296 0.224 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -9.195 1.601 2.996 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -8.774 2.483 1.541 1.00 0.00 H new ATOM 1323 N ILE A 93 -6.709 0.968 0.345 1.00 0.00 N ATOM 1324 CA ILE A 93 -5.249 1.099 0.265 1.00 0.00 C ATOM 1325 C ILE A 93 -4.898 2.590 0.292 1.00 0.00 C ATOM 1326 O ILE A 93 -5.456 3.371 -0.483 1.00 0.00 O ATOM 1327 CB ILE A 93 -4.646 0.433 -1.027 1.00 0.00 C ATOM 1328 CG1 ILE A 93 -5.067 -1.055 -1.198 1.00 0.00 C ATOM 1329 CG2 ILE A 93 -3.116 0.548 -1.054 1.00 0.00 C ATOM 1330 CD1 ILE A 93 -4.964 -1.928 0.050 1.00 0.00 C ATOM 0 H ILE A 93 -7.203 1.416 -0.427 1.00 0.00 H new ATOM 0 HA ILE A 93 -4.814 0.575 1.116 1.00 0.00 H new ATOM 0 HB ILE A 93 -5.062 0.988 -1.868 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -6.098 -1.082 -1.552 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -4.450 -1.499 -1.979 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -2.732 0.078 -1.959 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -2.830 1.600 -1.042 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -2.698 0.048 -0.180 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -5.283 -2.943 -0.188 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -3.931 -1.944 0.398 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -5.604 -1.521 0.833 1.00 0.00 H new ATOM 1342 N GLN A 94 -3.977 2.973 1.182 1.00 0.00 N ATOM 1343 CA GLN A 94 -3.568 4.372 1.306 1.00 0.00 C ATOM 1344 C GLN A 94 -2.109 4.563 0.902 1.00 0.00 C ATOM 1345 O GLN A 94 -1.239 3.785 1.301 1.00 0.00 O ATOM 1346 CB GLN A 94 -3.788 4.867 2.738 1.00 0.00 C ATOM 1347 CG GLN A 94 -4.258 6.317 2.823 1.00 0.00 C ATOM 1348 CD GLN A 94 -5.754 6.469 2.601 1.00 0.00 C ATOM 1349 OE1 GLN A 94 -6.565 5.879 3.317 1.00 0.00 O ATOM 1350 NE2 GLN A 94 -6.125 7.266 1.607 1.00 0.00 N ATOM 0 H GLN A 94 -3.504 2.336 1.823 1.00 0.00 H new ATOM 0 HA GLN A 94 -4.185 4.960 0.627 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -4.524 4.227 3.225 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -2.857 4.763 3.295 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -3.998 6.721 3.802 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -3.724 6.911 2.081 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -5.420 7.735 1.039 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -7.116 7.410 1.411 1.00 0.00 H new ATOM 1359 N ILE A 95 -1.862 5.612 0.111 1.00 0.00 N ATOM 1360 CA ILE A 95 -0.518 5.944 -0.371 1.00 0.00 C ATOM 1361 C ILE A 95 -0.137 7.376 0.075 1.00 0.00 C ATOM 1362 O ILE A 95 -0.598 8.345 -0.537 1.00 0.00 O ATOM 1363 CB ILE A 95 -0.415 5.830 -1.938 1.00 0.00 C ATOM 1364 CG1 ILE A 95 -1.135 4.565 -2.496 1.00 0.00 C ATOM 1365 CG2 ILE A 95 1.044 5.876 -2.412 1.00 0.00 C ATOM 1366 CD1 ILE A 95 -0.676 3.222 -1.927 1.00 0.00 C ATOM 0 H ILE A 95 -2.586 6.253 -0.212 1.00 0.00 H new ATOM 0 HA ILE A 95 0.177 5.225 0.063 1.00 0.00 H new ATOM 0 HB ILE A 95 -0.934 6.700 -2.341 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -2.204 4.669 -2.310 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -1.001 4.543 -3.577 1.00 0.00 H new ATOM 0 HG21 ILE A 95 1.076 5.795 -3.498 1.00 0.00 H new ATOM 0 HG22 ILE A 95 1.497 6.819 -2.105 1.00 0.00 H new ATOM 0 HG23 ILE A 95 1.597 5.047 -1.970 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -1.247 2.417 -2.389 1.00 0.00 H new ATOM 0 HD12 ILE A 95 0.384 3.081 -2.136 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -0.838 3.209 -0.849 1.00 0.00 H new ATOM 1378 N PRO A 96 0.697 7.548 1.158 1.00 0.00 N ATOM 1379 CA PRO A 96 1.111 8.890 1.631 1.00 0.00 C ATOM 1380 C PRO A 96 1.881 9.673 0.563 1.00 0.00 C ATOM 1381 O PRO A 96 2.889 9.192 0.032 1.00 0.00 O ATOM 1382 CB PRO A 96 2.016 8.599 2.837 1.00 0.00 C ATOM 1383 CG PRO A 96 1.652 7.222 3.269 1.00 0.00 C ATOM 1384 CD PRO A 96 1.284 6.484 2.012 1.00 0.00 C ATOM 0 HA PRO A 96 0.249 9.510 1.876 1.00 0.00 H new ATOM 0 HB2 PRO A 96 3.069 8.661 2.564 1.00 0.00 H new ATOM 0 HB3 PRO A 96 1.851 9.320 3.637 1.00 0.00 H new ATOM 0 HG2 PRO A 96 2.486 6.738 3.777 1.00 0.00 H new ATOM 0 HG3 PRO A 96 0.818 7.240 3.971 1.00 0.00 H new ATOM 0 HD2 PRO A 96 2.155 6.026 1.544 1.00 0.00 H new ATOM 0 HD3 PRO A 96 0.570 5.684 2.208 1.00 0.00 H new ATOM 1392 N LEU A 97 1.387 10.872 0.252 1.00 0.00 N ATOM 1393 CA LEU A 97 2.003 11.728 -0.757 1.00 0.00 C ATOM 1394 C LEU A 97 2.338 13.101 -0.178 1.00 0.00 C ATOM 1395 O LEU A 97 1.499 13.725 0.479 1.00 0.00 O ATOM 1396 CB LEU A 97 1.063 11.872 -1.959 1.00 0.00 C ATOM 1397 CG LEU A 97 1.747 12.162 -3.296 1.00 0.00 C ATOM 1398 CD1 LEU A 97 1.912 10.882 -4.101 1.00 0.00 C ATOM 1399 CD2 LEU A 97 0.954 13.193 -4.085 1.00 0.00 C ATOM 0 H LEU A 97 0.557 11.272 0.689 1.00 0.00 H new ATOM 0 HA LEU A 97 2.934 11.264 -1.083 1.00 0.00 H new ATOM 0 HB2 LEU A 97 0.484 10.954 -2.058 1.00 0.00 H new ATOM 0 HB3 LEU A 97 0.355 12.674 -1.751 1.00 0.00 H new ATOM 0 HG LEU A 97 2.738 12.569 -3.096 1.00 0.00 H new ATOM 0 HD11 LEU A 97 2.400 11.109 -5.049 1.00 0.00 H new ATOM 0 HD12 LEU A 97 2.521 10.175 -3.539 1.00 0.00 H new ATOM 0 HD13 LEU A 97 0.932 10.444 -4.293 1.00 0.00 H new ATOM 0 HD21 LEU A 97 1.454 13.388 -5.034 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -0.050 12.812 -4.275 1.00 0.00 H new ATOM 0 HD23 LEU A 97 0.889 14.118 -3.512 1.00 0.00 H new ATOM 1411 N ASP A 98 3.571 13.561 -0.430 1.00 0.00 N ATOM 1412 CA ASP A 98 4.039 14.868 0.052 1.00 0.00 C ATOM 1413 C ASP A 98 3.671 15.974 -0.935 1.00 0.00 C ATOM 1414 O ASP A 98 3.718 15.768 -2.145 1.00 0.00 O ATOM 1415 CB ASP A 98 5.559 14.859 0.270 1.00 0.00 C ATOM 1416 CG ASP A 98 6.003 13.870 1.338 1.00 0.00 C ATOM 1417 OD1 ASP A 98 5.459 13.917 2.462 1.00 0.00 O ATOM 1418 OD2 ASP A 98 6.896 13.047 1.045 1.00 0.00 O ATOM 0 H ASP A 98 4.266 13.044 -0.968 1.00 0.00 H new ATOM 0 HA ASP A 98 3.546 15.064 1.004 1.00 0.00 H new ATOM 0 HB2 ASP A 98 6.053 14.615 -0.670 1.00 0.00 H new ATOM 0 HB3 ASP A 98 5.886 15.860 0.552 1.00 0.00 H new ATOM 1423 N TYR A 99 3.290 17.140 -0.403 1.00 0.00 N ATOM 1424 CA TYR A 99 2.913 18.306 -1.225 1.00 0.00 C ATOM 1425 C TYR A 99 4.086 18.850 -2.053 1.00 0.00 C ATOM 1426 O TYR A 99 3.894 19.342 -3.169 1.00 0.00 O ATOM 1427 CB TYR A 99 2.366 19.426 -0.331 1.00 0.00 C ATOM 1428 CG TYR A 99 1.042 19.104 0.329 1.00 0.00 C ATOM 1429 CD1 TYR A 99 -0.139 19.148 -0.396 1.00 0.00 C ATOM 1430 CD2 TYR A 99 0.975 18.766 1.674 1.00 0.00 C ATOM 1431 CE1 TYR A 99 -1.354 18.864 0.197 1.00 0.00 C ATOM 1432 CE2 TYR A 99 -0.236 18.478 2.277 1.00 0.00 C ATOM 1433 CZ TYR A 99 -1.397 18.529 1.534 1.00 0.00 C ATOM 1434 OH TYR A 99 -2.604 18.245 2.130 1.00 0.00 O ATOM 0 H TYR A 99 3.233 17.307 0.602 1.00 0.00 H new ATOM 0 HA TYR A 99 2.146 17.965 -1.920 1.00 0.00 H new ATOM 0 HB2 TYR A 99 3.100 19.649 0.443 1.00 0.00 H new ATOM 0 HB3 TYR A 99 2.250 20.329 -0.930 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -0.109 19.409 -1.444 1.00 0.00 H new ATOM 0 HD2 TYR A 99 1.882 18.727 2.258 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -2.264 18.904 -0.383 1.00 0.00 H new ATOM 0 HE2 TYR A 99 -0.272 18.215 3.324 1.00 0.00 H new ATOM 0 HH TYR A 99 -2.459 18.027 3.074 1.00 0.00 H new ATOM 1444 N GLU A 100 5.291 18.750 -1.483 1.00 0.00 N ATOM 1445 CA GLU A 100 6.526 19.247 -2.110 1.00 0.00 C ATOM 1446 C GLU A 100 6.975 18.405 -3.327 1.00 0.00 C ATOM 1447 O GLU A 100 7.271 18.965 -4.387 1.00 0.00 O ATOM 1448 CB GLU A 100 7.641 19.292 -1.048 1.00 0.00 C ATOM 1449 CG GLU A 100 8.869 20.109 -1.446 1.00 0.00 C ATOM 1450 CD GLU A 100 9.979 20.035 -0.414 1.00 0.00 C ATOM 1451 OE1 GLU A 100 9.795 20.577 0.697 1.00 0.00 O ATOM 1452 OE2 GLU A 100 11.031 19.435 -0.716 1.00 0.00 O ATOM 0 H GLU A 100 5.441 18.321 -0.570 1.00 0.00 H new ATOM 0 HA GLU A 100 6.321 20.246 -2.495 1.00 0.00 H new ATOM 0 HB2 GLU A 100 7.230 19.705 -0.127 1.00 0.00 H new ATOM 0 HB3 GLU A 100 7.956 18.272 -0.828 1.00 0.00 H new ATOM 0 HG2 GLU A 100 9.244 19.750 -2.404 1.00 0.00 H new ATOM 0 HG3 GLU A 100 8.578 21.150 -1.587 1.00 0.00 H new ATOM 1459 N THR A 101 7.019 17.076 -3.167 1.00 0.00 N ATOM 1460 CA THR A 101 7.466 16.178 -4.245 1.00 0.00 C ATOM 1461 C THR A 101 6.314 15.511 -4.987 1.00 0.00 C ATOM 1462 O THR A 101 6.439 15.225 -6.179 1.00 0.00 O ATOM 1463 CB THR A 101 8.407 15.082 -3.696 1.00 0.00 C ATOM 1464 OG1 THR A 101 7.810 14.442 -2.561 1.00 0.00 O ATOM 1465 CG2 THR A 101 9.762 15.661 -3.305 1.00 0.00 C ATOM 0 H THR A 101 6.752 16.598 -2.306 1.00 0.00 H new ATOM 0 HA THR A 101 7.998 16.812 -4.954 1.00 0.00 H new ATOM 0 HB THR A 101 8.563 14.349 -4.487 1.00 0.00 H new ATOM 0 HG1 THR A 101 8.413 13.748 -2.222 1.00 0.00 H new ATOM 0 HG21 THR A 101 10.401 14.865 -2.923 1.00 0.00 H new ATOM 0 HG22 THR A 101 10.230 16.114 -4.179 1.00 0.00 H new ATOM 0 HG23 THR A 101 9.625 16.419 -2.533 1.00 0.00 H new ATOM 1473 N GLU A 102 5.175 15.304 -4.298 1.00 0.00 N ATOM 1474 CA GLU A 102 3.977 14.643 -4.882 1.00 0.00 C ATOM 1475 C GLU A 102 4.329 13.275 -5.510 1.00 0.00 C ATOM 1476 O GLU A 102 3.681 12.822 -6.463 1.00 0.00 O ATOM 1477 CB GLU A 102 3.287 15.559 -5.917 1.00 0.00 C ATOM 1478 CG GLU A 102 2.622 16.788 -5.311 1.00 0.00 C ATOM 1479 CD GLU A 102 1.894 17.626 -6.343 1.00 0.00 C ATOM 1480 OE1 GLU A 102 2.570 18.352 -7.103 1.00 0.00 O ATOM 1481 OE2 GLU A 102 0.648 17.555 -6.394 1.00 0.00 O ATOM 0 H GLU A 102 5.053 15.586 -3.325 1.00 0.00 H new ATOM 0 HA GLU A 102 3.277 14.461 -4.066 1.00 0.00 H new ATOM 0 HB2 GLU A 102 4.026 15.883 -6.650 1.00 0.00 H new ATOM 0 HB3 GLU A 102 2.536 14.981 -6.455 1.00 0.00 H new ATOM 0 HG2 GLU A 102 1.917 16.473 -4.542 1.00 0.00 H new ATOM 0 HG3 GLU A 102 3.378 17.400 -4.819 1.00 0.00 H new ATOM 1488 N LYS A 103 5.356 12.619 -4.945 1.00 0.00 N ATOM 1489 CA LYS A 103 5.834 11.325 -5.446 1.00 0.00 C ATOM 1490 C LYS A 103 5.753 10.247 -4.361 1.00 0.00 C ATOM 1491 O LYS A 103 5.749 10.559 -3.165 1.00 0.00 O ATOM 1492 CB LYS A 103 7.295 11.432 -5.931 1.00 0.00 C ATOM 1493 CG LYS A 103 7.584 12.601 -6.871 1.00 0.00 C ATOM 1494 CD LYS A 103 8.903 12.415 -7.604 1.00 0.00 C ATOM 1495 CE LYS A 103 9.255 13.639 -8.436 1.00 0.00 C ATOM 1496 NZ LYS A 103 9.896 13.266 -9.728 1.00 0.00 N ATOM 0 H LYS A 103 5.872 12.968 -4.137 1.00 0.00 H new ATOM 0 HA LYS A 103 5.190 11.045 -6.280 1.00 0.00 H new ATOM 0 HB2 LYS A 103 7.945 11.518 -5.060 1.00 0.00 H new ATOM 0 HB3 LYS A 103 7.562 10.505 -6.438 1.00 0.00 H new ATOM 0 HG2 LYS A 103 6.775 12.696 -7.595 1.00 0.00 H new ATOM 0 HG3 LYS A 103 7.612 13.529 -6.301 1.00 0.00 H new ATOM 0 HD2 LYS A 103 9.697 12.223 -6.883 1.00 0.00 H new ATOM 0 HD3 LYS A 103 8.841 11.540 -8.251 1.00 0.00 H new ATOM 0 HE2 LYS A 103 8.352 14.217 -8.632 1.00 0.00 H new ATOM 0 HE3 LYS A 103 9.928 14.282 -7.869 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 10.121 14.127 -10.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 10.771 12.737 -9.541 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 9.244 12.673 -10.281 1.00 0.00 H new ATOM 1510 N HIS A 104 5.693 8.978 -4.794 1.00 0.00 N ATOM 1511 CA HIS A 104 5.641 7.830 -3.883 1.00 0.00 C ATOM 1512 C HIS A 104 7.066 7.367 -3.553 1.00 0.00 C ATOM 1513 O HIS A 104 7.932 7.330 -4.431 1.00 0.00 O ATOM 1514 CB HIS A 104 4.808 6.697 -4.514 1.00 0.00 C ATOM 1515 CG HIS A 104 4.736 5.424 -3.712 1.00 0.00 C ATOM 1516 ND1 HIS A 104 5.113 4.201 -4.224 1.00 0.00 N ATOM 1517 CD2 HIS A 104 4.303 5.183 -2.452 1.00 0.00 C ATOM 1518 CE1 HIS A 104 4.906 3.263 -3.321 1.00 0.00 C ATOM 1519 NE2 HIS A 104 4.418 3.832 -2.235 1.00 0.00 N ATOM 0 H HIS A 104 5.679 8.722 -5.781 1.00 0.00 H new ATOM 0 HA HIS A 104 5.157 8.120 -2.951 1.00 0.00 H new ATOM 0 HB2 HIS A 104 3.794 7.062 -4.676 1.00 0.00 H new ATOM 0 HB3 HIS A 104 5.224 6.466 -5.494 1.00 0.00 H new ATOM 0 HD2 HIS A 104 3.936 5.916 -1.749 1.00 0.00 H new ATOM 0 HE1 HIS A 104 5.102 2.209 -3.448 1.00 0.00 H new ATOM 0 HE2 HIS A 104 4.167 3.347 -1.374 1.00 0.00 H new ATOM 1528 N ARG A 105 7.288 7.020 -2.283 1.00 0.00 N ATOM 1529 CA ARG A 105 8.610 6.595 -1.805 1.00 0.00 C ATOM 1530 C ARG A 105 8.770 5.068 -1.707 1.00 0.00 C ATOM 1531 O ARG A 105 9.827 4.590 -1.274 1.00 0.00 O ATOM 1532 CB ARG A 105 8.903 7.246 -0.449 1.00 0.00 C ATOM 1533 CG ARG A 105 9.147 8.747 -0.521 1.00 0.00 C ATOM 1534 CD ARG A 105 9.543 9.315 0.833 1.00 0.00 C ATOM 1535 NE ARG A 105 9.641 10.778 0.808 1.00 0.00 N ATOM 1536 CZ ARG A 105 9.460 11.574 1.874 1.00 0.00 C ATOM 1537 NH1 ARG A 105 9.158 11.068 3.068 1.00 0.00 N ATOM 1538 NH2 ARG A 105 9.581 12.887 1.736 1.00 0.00 N ATOM 0 H ARG A 105 6.566 7.025 -1.562 1.00 0.00 H new ATOM 0 HA ARG A 105 9.333 6.928 -2.550 1.00 0.00 H new ATOM 0 HB2 ARG A 105 8.065 7.057 0.222 1.00 0.00 H new ATOM 0 HB3 ARG A 105 9.778 6.767 -0.009 1.00 0.00 H new ATOM 0 HG2 ARG A 105 9.933 8.954 -1.247 1.00 0.00 H new ATOM 0 HG3 ARG A 105 8.245 9.246 -0.876 1.00 0.00 H new ATOM 0 HD2 ARG A 105 8.810 9.014 1.581 1.00 0.00 H new ATOM 0 HD3 ARG A 105 10.501 8.893 1.137 1.00 0.00 H new ATOM 0 HE ARG A 105 9.862 11.223 -0.083 1.00 0.00 H new ATOM 0 HH11 ARG A 105 9.060 10.059 3.185 1.00 0.00 H new ATOM 0 HH12 ARG A 105 9.024 11.689 3.866 1.00 0.00 H new ATOM 0 HH21 ARG A 105 9.810 13.285 0.825 1.00 0.00 H new ATOM 0 HH22 ARG A 105 9.445 13.499 2.541 1.00 0.00 H new ATOM 1552 N GLY A 106 7.749 4.299 -2.119 1.00 0.00 N ATOM 1553 CA GLY A 106 7.852 2.842 -2.060 1.00 0.00 C ATOM 1554 C GLY A 106 7.285 2.213 -0.792 1.00 0.00 C ATOM 1555 O GLY A 106 7.687 1.102 -0.438 1.00 0.00 O ATOM 0 H GLY A 106 6.867 4.655 -2.487 1.00 0.00 H new ATOM 0 HA2 GLY A 106 7.334 2.420 -2.921 1.00 0.00 H new ATOM 0 HA3 GLY A 106 8.902 2.562 -2.150 1.00 0.00 H new ATOM 1559 N PHE A 107 6.383 2.923 -0.093 1.00 0.00 N ATOM 1560 CA PHE A 107 5.742 2.383 1.116 1.00 0.00 C ATOM 1561 C PHE A 107 4.301 2.880 1.245 1.00 0.00 C ATOM 1562 O PHE A 107 3.968 3.976 0.783 1.00 0.00 O ATOM 1563 CB PHE A 107 6.550 2.683 2.402 1.00 0.00 C ATOM 1564 CG PHE A 107 6.689 4.140 2.768 1.00 0.00 C ATOM 1565 CD1 PHE A 107 7.752 4.892 2.300 1.00 0.00 C ATOM 1566 CD2 PHE A 107 5.752 4.748 3.591 1.00 0.00 C ATOM 1567 CE1 PHE A 107 7.879 6.225 2.645 1.00 0.00 C ATOM 1568 CE2 PHE A 107 5.873 6.079 3.937 1.00 0.00 C ATOM 1569 CZ PHE A 107 6.938 6.819 3.464 1.00 0.00 C ATOM 0 H PHE A 107 6.084 3.865 -0.343 1.00 0.00 H new ATOM 0 HA PHE A 107 5.723 1.299 1.002 1.00 0.00 H new ATOM 0 HB2 PHE A 107 6.077 2.163 3.235 1.00 0.00 H new ATOM 0 HB3 PHE A 107 7.548 2.260 2.288 1.00 0.00 H new ATOM 0 HD1 PHE A 107 8.490 4.433 1.659 1.00 0.00 H new ATOM 0 HD2 PHE A 107 4.918 4.173 3.965 1.00 0.00 H new ATOM 0 HE1 PHE A 107 8.714 6.802 2.274 1.00 0.00 H new ATOM 0 HE2 PHE A 107 5.135 6.541 4.577 1.00 0.00 H new ATOM 0 HZ PHE A 107 7.036 7.860 3.734 1.00 0.00 H new ATOM 1579 N ALA A 108 3.457 2.054 1.882 1.00 0.00 N ATOM 1580 CA ALA A 108 2.033 2.361 2.088 1.00 0.00 C ATOM 1581 C ALA A 108 1.437 1.477 3.193 1.00 0.00 C ATOM 1582 O ALA A 108 2.150 0.671 3.798 1.00 0.00 O ATOM 1583 CB ALA A 108 1.260 2.173 0.779 1.00 0.00 C ATOM 0 H ALA A 108 3.742 1.154 2.269 1.00 0.00 H new ATOM 0 HA ALA A 108 1.947 3.401 2.403 1.00 0.00 H new ATOM 0 HB1 ALA A 108 0.207 2.403 0.942 1.00 0.00 H new ATOM 0 HB2 ALA A 108 1.664 2.842 0.019 1.00 0.00 H new ATOM 0 HB3 ALA A 108 1.358 1.141 0.443 1.00 0.00 H new ATOM 1589 N PHE A 109 0.139 1.660 3.473 1.00 0.00 N ATOM 1590 CA PHE A 109 -0.570 0.857 4.475 1.00 0.00 C ATOM 1591 C PHE A 109 -1.721 0.106 3.809 1.00 0.00 C ATOM 1592 O PHE A 109 -2.270 0.571 2.804 1.00 0.00 O ATOM 1593 CB PHE A 109 -1.117 1.731 5.614 1.00 0.00 C ATOM 1594 CG PHE A 109 -0.062 2.449 6.415 1.00 0.00 C ATOM 1595 CD1 PHE A 109 0.487 3.639 5.962 1.00 0.00 C ATOM 1596 CD2 PHE A 109 0.368 1.936 7.627 1.00 0.00 C ATOM 1597 CE1 PHE A 109 1.445 4.302 6.704 1.00 0.00 C ATOM 1598 CE2 PHE A 109 1.327 2.594 8.372 1.00 0.00 C ATOM 1599 CZ PHE A 109 1.867 3.778 7.910 1.00 0.00 C ATOM 0 H PHE A 109 -0.443 2.362 3.016 1.00 0.00 H new ATOM 0 HA PHE A 109 0.140 0.149 4.903 1.00 0.00 H new ATOM 0 HB2 PHE A 109 -1.800 2.469 5.193 1.00 0.00 H new ATOM 0 HB3 PHE A 109 -1.702 1.104 6.287 1.00 0.00 H new ATOM 0 HD1 PHE A 109 0.162 4.052 5.019 1.00 0.00 H new ATOM 0 HD2 PHE A 109 -0.051 1.011 7.994 1.00 0.00 H new ATOM 0 HE1 PHE A 109 1.864 5.229 6.341 1.00 0.00 H new ATOM 0 HE2 PHE A 109 1.654 2.183 9.315 1.00 0.00 H new ATOM 0 HZ PHE A 109 2.618 4.293 8.491 1.00 0.00 H new ATOM 1609 N VAL A 110 -2.081 -1.048 4.373 1.00 0.00 N ATOM 1610 CA VAL A 110 -3.170 -1.865 3.833 1.00 0.00 C ATOM 1611 C VAL A 110 -4.250 -2.098 4.903 1.00 0.00 C ATOM 1612 O VAL A 110 -3.943 -2.449 6.046 1.00 0.00 O ATOM 1613 CB VAL A 110 -2.625 -3.210 3.229 1.00 0.00 C ATOM 1614 CG1 VAL A 110 -1.886 -4.068 4.258 1.00 0.00 C ATOM 1615 CG2 VAL A 110 -3.735 -4.022 2.556 1.00 0.00 C ATOM 0 H VAL A 110 -1.635 -1.438 5.203 1.00 0.00 H new ATOM 0 HA VAL A 110 -3.639 -1.323 3.012 1.00 0.00 H new ATOM 0 HB VAL A 110 -1.900 -2.920 2.469 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -1.533 -4.983 3.783 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -1.035 -3.512 4.651 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -2.563 -4.321 5.074 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -3.317 -4.944 2.151 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -4.505 -4.263 3.289 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -4.174 -3.437 1.748 1.00 0.00 H new ATOM 1625 N GLU A 111 -5.509 -1.896 4.500 1.00 0.00 N ATOM 1626 CA GLU A 111 -6.658 -2.061 5.387 1.00 0.00 C ATOM 1627 C GLU A 111 -7.414 -3.348 5.043 1.00 0.00 C ATOM 1628 O GLU A 111 -7.742 -3.586 3.879 1.00 0.00 O ATOM 1629 CB GLU A 111 -7.581 -0.838 5.246 1.00 0.00 C ATOM 1630 CG GLU A 111 -8.545 -0.632 6.406 1.00 0.00 C ATOM 1631 CD GLU A 111 -9.568 0.452 6.128 1.00 0.00 C ATOM 1632 OE1 GLU A 111 -9.181 1.640 6.091 1.00 0.00 O ATOM 1633 OE2 GLU A 111 -10.757 0.115 5.947 1.00 0.00 O ATOM 0 H GLU A 111 -5.756 -1.614 3.551 1.00 0.00 H new ATOM 0 HA GLU A 111 -6.315 -2.137 6.419 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -6.965 0.055 5.140 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -8.157 -0.939 4.326 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -9.061 -1.569 6.615 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -7.980 -0.372 7.301 1.00 0.00 H new ATOM 1640 N PHE A 112 -7.690 -4.162 6.066 1.00 0.00 N ATOM 1641 CA PHE A 112 -8.412 -5.424 5.888 1.00 0.00 C ATOM 1642 C PHE A 112 -9.738 -5.414 6.636 1.00 0.00 C ATOM 1643 O PHE A 112 -9.859 -4.791 7.694 1.00 0.00 O ATOM 1644 CB PHE A 112 -7.569 -6.606 6.373 1.00 0.00 C ATOM 1645 CG PHE A 112 -6.474 -7.018 5.428 1.00 0.00 C ATOM 1646 CD1 PHE A 112 -5.210 -6.461 5.519 1.00 0.00 C ATOM 1647 CD2 PHE A 112 -6.709 -7.978 4.454 1.00 0.00 C ATOM 1648 CE1 PHE A 112 -4.205 -6.852 4.658 1.00 0.00 C ATOM 1649 CE2 PHE A 112 -5.707 -8.369 3.591 1.00 0.00 C ATOM 1650 CZ PHE A 112 -4.454 -7.805 3.694 1.00 0.00 C ATOM 0 H PHE A 112 -7.422 -3.967 7.031 1.00 0.00 H new ATOM 0 HA PHE A 112 -8.610 -5.534 4.822 1.00 0.00 H new ATOM 0 HB2 PHE A 112 -7.125 -6.349 7.335 1.00 0.00 H new ATOM 0 HB3 PHE A 112 -8.226 -7.459 6.543 1.00 0.00 H new ATOM 0 HD1 PHE A 112 -5.008 -5.713 6.271 1.00 0.00 H new ATOM 0 HD2 PHE A 112 -7.689 -8.425 4.371 1.00 0.00 H new ATOM 0 HE1 PHE A 112 -3.223 -6.411 4.740 1.00 0.00 H new ATOM 0 HE2 PHE A 112 -5.904 -9.116 2.836 1.00 0.00 H new ATOM 0 HZ PHE A 112 -3.667 -8.110 3.020 1.00 0.00 H new ATOM 1660 N GLU A 113 -10.735 -6.111 6.068 1.00 0.00 N ATOM 1661 CA GLU A 113 -12.071 -6.225 6.673 1.00 0.00 C ATOM 1662 C GLU A 113 -12.022 -7.129 7.921 1.00 0.00 C ATOM 1663 O GLU A 113 -12.700 -6.863 8.916 1.00 0.00 O ATOM 1664 CB GLU A 113 -13.065 -6.780 5.637 1.00 0.00 C ATOM 1665 CG GLU A 113 -14.532 -6.618 6.018 1.00 0.00 C ATOM 1666 CD GLU A 113 -15.470 -7.295 5.037 1.00 0.00 C ATOM 1667 OE1 GLU A 113 -15.581 -6.812 3.890 1.00 0.00 O ATOM 1668 OE2 GLU A 113 -16.092 -8.309 5.415 1.00 0.00 O ATOM 0 H GLU A 113 -10.639 -6.608 5.183 1.00 0.00 H new ATOM 0 HA GLU A 113 -12.406 -5.236 6.986 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -12.893 -6.281 4.684 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -12.857 -7.839 5.484 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -14.693 -7.033 7.013 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -14.774 -5.557 6.072 1.00 0.00 H new ATOM 1675 N LEU A 114 -11.211 -8.190 7.835 1.00 0.00 N ATOM 1676 CA LEU A 114 -11.036 -9.142 8.933 1.00 0.00 C ATOM 1677 C LEU A 114 -9.679 -8.964 9.599 1.00 0.00 C ATOM 1678 O LEU A 114 -8.669 -8.775 8.921 1.00 0.00 O ATOM 1679 CB LEU A 114 -11.145 -10.589 8.418 1.00 0.00 C ATOM 1680 CG LEU A 114 -12.563 -11.111 8.149 1.00 0.00 C ATOM 1681 CD1 LEU A 114 -13.125 -10.556 6.845 1.00 0.00 C ATOM 1682 CD2 LEU A 114 -12.555 -12.632 8.116 1.00 0.00 C ATOM 0 H LEU A 114 -10.661 -8.410 7.005 1.00 0.00 H new ATOM 0 HA LEU A 114 -11.824 -8.948 9.660 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -10.571 -10.668 7.495 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -10.670 -11.248 9.145 1.00 0.00 H new ATOM 0 HG LEU A 114 -13.209 -10.770 8.958 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -14.130 -10.947 6.687 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -13.163 -9.468 6.899 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -12.484 -10.856 6.016 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -13.564 -12.997 7.925 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -11.889 -12.975 7.325 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -12.206 -13.015 9.075 1.00 0.00 H new ATOM 1694 N ALA A 115 -9.670 -9.012 10.934 1.00 0.00 N ATOM 1695 CA ALA A 115 -8.430 -8.908 11.715 1.00 0.00 C ATOM 1696 C ALA A 115 -7.628 -10.213 11.615 1.00 0.00 C ATOM 1697 O ALA A 115 -6.422 -10.241 11.874 1.00 0.00 O ATOM 1698 CB ALA A 115 -8.741 -8.584 13.169 1.00 0.00 C ATOM 0 H ALA A 115 -10.511 -9.123 11.501 1.00 0.00 H new ATOM 0 HA ALA A 115 -7.828 -8.097 11.304 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -7.811 -8.511 13.732 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -9.274 -7.635 13.224 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -9.361 -9.374 13.593 1.00 0.00 H new ATOM 1704 N GLU A 116 -8.340 -11.286 11.229 1.00 0.00 N ATOM 1705 CA GLU A 116 -7.771 -12.629 11.058 1.00 0.00 C ATOM 1706 C GLU A 116 -6.852 -12.693 9.821 1.00 0.00 C ATOM 1707 O GLU A 116 -5.706 -13.151 9.912 1.00 0.00 O ATOM 1708 CB GLU A 116 -8.938 -13.631 10.932 1.00 0.00 C ATOM 1709 CG GLU A 116 -8.548 -15.108 10.924 1.00 0.00 C ATOM 1710 CD GLU A 116 -8.148 -15.654 12.293 1.00 0.00 C ATOM 1711 OE1 GLU A 116 -8.687 -15.179 13.318 1.00 0.00 O ATOM 1712 OE2 GLU A 116 -7.291 -16.562 12.336 1.00 0.00 O ATOM 0 H GLU A 116 -9.338 -11.242 11.025 1.00 0.00 H new ATOM 0 HA GLU A 116 -7.155 -12.881 11.921 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -9.628 -13.461 11.758 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -9.481 -13.413 10.013 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -9.386 -15.692 10.542 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -7.718 -15.250 10.231 1.00 0.00 H new ATOM 1719 N ASP A 117 -7.364 -12.209 8.675 1.00 0.00 N ATOM 1720 CA ASP A 117 -6.608 -12.195 7.414 1.00 0.00 C ATOM 1721 C ASP A 117 -5.440 -11.194 7.464 1.00 0.00 C ATOM 1722 O ASP A 117 -4.401 -11.411 6.834 1.00 0.00 O ATOM 1723 CB ASP A 117 -7.542 -11.945 6.204 1.00 0.00 C ATOM 1724 CG ASP A 117 -8.339 -10.643 6.255 1.00 0.00 C ATOM 1725 OD1 ASP A 117 -7.791 -9.615 6.697 1.00 0.00 O ATOM 1726 OD2 ASP A 117 -9.516 -10.659 5.839 1.00 0.00 O ATOM 0 H ASP A 117 -8.304 -11.821 8.599 1.00 0.00 H new ATOM 0 HA ASP A 117 -6.167 -13.183 7.280 1.00 0.00 H new ATOM 0 HB2 ASP A 117 -6.941 -11.949 5.295 1.00 0.00 H new ATOM 0 HB3 ASP A 117 -8.241 -12.778 6.127 1.00 0.00 H new ATOM 1731 N ALA A 118 -5.636 -10.099 8.223 1.00 0.00 N ATOM 1732 CA ALA A 118 -4.618 -9.053 8.399 1.00 0.00 C ATOM 1733 C ALA A 118 -3.375 -9.600 9.107 1.00 0.00 C ATOM 1734 O ALA A 118 -2.243 -9.324 8.696 1.00 0.00 O ATOM 1735 CB ALA A 118 -5.204 -7.896 9.192 1.00 0.00 C ATOM 0 H ALA A 118 -6.503 -9.918 8.729 1.00 0.00 H new ATOM 0 HA ALA A 118 -4.314 -8.702 7.413 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -4.447 -7.123 9.321 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -6.058 -7.482 8.655 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -5.528 -8.252 10.170 1.00 0.00 H new ATOM 1741 N ALA A 119 -3.605 -10.388 10.175 1.00 0.00 N ATOM 1742 CA ALA A 119 -2.523 -11.022 10.938 1.00 0.00 C ATOM 1743 C ALA A 119 -1.821 -12.072 10.079 1.00 0.00 C ATOM 1744 O ALA A 119 -0.620 -12.322 10.228 1.00 0.00 O ATOM 1745 CB ALA A 119 -3.068 -11.652 12.211 1.00 0.00 C ATOM 0 H ALA A 119 -4.539 -10.599 10.527 1.00 0.00 H new ATOM 0 HA ALA A 119 -1.798 -10.258 11.218 1.00 0.00 H new ATOM 0 HB1 ALA A 119 -2.253 -12.118 12.765 1.00 0.00 H new ATOM 0 HB2 ALA A 119 -3.532 -10.883 12.828 1.00 0.00 H new ATOM 0 HB3 ALA A 119 -3.810 -12.408 11.954 1.00 0.00 H new ATOM 1751 N ALA A 120 -2.604 -12.670 9.164 1.00 0.00 N ATOM 1752 CA ALA A 120 -2.104 -13.682 8.226 1.00 0.00 C ATOM 1753 C ALA A 120 -1.161 -13.052 7.196 1.00 0.00 C ATOM 1754 O ALA A 120 -0.183 -13.675 6.769 1.00 0.00 O ATOM 1755 CB ALA A 120 -3.266 -14.368 7.521 1.00 0.00 C ATOM 0 H ALA A 120 -3.597 -12.464 9.057 1.00 0.00 H new ATOM 0 HA ALA A 120 -1.545 -14.426 8.794 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -2.881 -15.116 6.828 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -3.905 -14.852 8.260 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -3.845 -13.627 6.970 1.00 0.00 H new ATOM 1761 N ALA A 121 -1.472 -11.800 6.816 1.00 0.00 N ATOM 1762 CA ALA A 121 -0.671 -11.037 5.852 1.00 0.00 C ATOM 1763 C ALA A 121 0.701 -10.669 6.425 1.00 0.00 C ATOM 1764 O ALA A 121 1.701 -10.699 5.706 1.00 0.00 O ATOM 1765 CB ALA A 121 -1.423 -9.782 5.415 1.00 0.00 C ATOM 0 H ALA A 121 -2.284 -11.293 7.169 1.00 0.00 H new ATOM 0 HA ALA A 121 -0.504 -11.671 4.981 1.00 0.00 H new ATOM 0 HB1 ALA A 121 -0.817 -9.225 4.700 1.00 0.00 H new ATOM 0 HB2 ALA A 121 -2.366 -10.067 4.948 1.00 0.00 H new ATOM 0 HB3 ALA A 121 -1.624 -9.157 6.285 1.00 0.00 H new ATOM 1771 N ILE A 122 0.741 -10.329 7.729 1.00 0.00 N ATOM 1772 CA ILE A 122 2.003 -9.972 8.408 1.00 0.00 C ATOM 1773 C ILE A 122 2.924 -11.199 8.549 1.00 0.00 C ATOM 1774 O ILE A 122 4.145 -11.072 8.461 1.00 0.00 O ATOM 1775 CB ILE A 122 1.771 -9.319 9.814 1.00 0.00 C ATOM 1776 CG1 ILE A 122 0.910 -8.045 9.679 1.00 0.00 C ATOM 1777 CG2 ILE A 122 3.114 -8.982 10.488 1.00 0.00 C ATOM 1778 CD1 ILE A 122 0.368 -7.498 10.991 1.00 0.00 C ATOM 0 H ILE A 122 -0.082 -10.294 8.331 1.00 0.00 H new ATOM 0 HA ILE A 122 2.487 -9.228 7.775 1.00 0.00 H new ATOM 0 HB ILE A 122 1.242 -10.037 10.440 1.00 0.00 H new ATOM 0 HG12 ILE A 122 1.506 -7.270 9.197 1.00 0.00 H new ATOM 0 HG13 ILE A 122 0.071 -8.259 9.017 1.00 0.00 H new ATOM 0 HG21 ILE A 122 2.929 -8.530 11.462 1.00 0.00 H new ATOM 0 HG22 ILE A 122 3.696 -9.895 10.616 1.00 0.00 H new ATOM 0 HG23 ILE A 122 3.669 -8.283 9.863 1.00 0.00 H new ATOM 0 HD11 ILE A 122 -0.224 -6.604 10.796 1.00 0.00 H new ATOM 0 HD12 ILE A 122 -0.259 -8.251 11.468 1.00 0.00 H new ATOM 0 HD13 ILE A 122 1.198 -7.247 11.651 1.00 0.00 H new ATOM 1790 N ASP A 123 2.322 -12.374 8.774 1.00 0.00 N ATOM 1791 CA ASP A 123 3.069 -13.628 8.940 1.00 0.00 C ATOM 1792 C ASP A 123 3.743 -14.116 7.644 1.00 0.00 C ATOM 1793 O ASP A 123 4.855 -14.650 7.691 1.00 0.00 O ATOM 1794 CB ASP A 123 2.135 -14.718 9.476 1.00 0.00 C ATOM 1795 CG ASP A 123 2.840 -15.688 10.407 1.00 0.00 C ATOM 1796 OD1 ASP A 123 3.285 -15.254 11.490 1.00 0.00 O ATOM 1797 OD2 ASP A 123 2.947 -16.880 10.051 1.00 0.00 O ATOM 0 H ASP A 123 1.310 -12.482 8.846 1.00 0.00 H new ATOM 0 HA ASP A 123 3.869 -13.423 9.651 1.00 0.00 H new ATOM 0 HB2 ASP A 123 1.305 -14.251 10.006 1.00 0.00 H new ATOM 0 HB3 ASP A 123 1.709 -15.270 8.638 1.00 0.00 H new ATOM 1802 N ASN A 124 3.069 -13.929 6.500 1.00 0.00 N ATOM 1803 CA ASN A 124 3.595 -14.397 5.207 1.00 0.00 C ATOM 1804 C ASN A 124 4.238 -13.300 4.346 1.00 0.00 C ATOM 1805 O ASN A 124 5.223 -13.570 3.650 1.00 0.00 O ATOM 1806 CB ASN A 124 2.479 -15.077 4.407 1.00 0.00 C ATOM 1807 CG ASN A 124 2.056 -16.410 5.001 1.00 0.00 C ATOM 1808 OD1 ASN A 124 2.883 -17.296 5.225 1.00 0.00 O ATOM 1809 ND2 ASN A 124 0.762 -16.558 5.259 1.00 0.00 N ATOM 0 H ASN A 124 2.165 -13.461 6.442 1.00 0.00 H new ATOM 0 HA ASN A 124 4.392 -15.100 5.451 1.00 0.00 H new ATOM 0 HB2 ASN A 124 1.615 -14.414 4.362 1.00 0.00 H new ATOM 0 HB3 ASN A 124 2.816 -15.232 3.382 1.00 0.00 H new ATOM 0 HD21 ASN A 124 0.418 -17.431 5.658 1.00 0.00 H new ATOM 0 HD22 ASN A 124 0.112 -15.798 5.058 1.00 0.00 H new ATOM 1816 N MET A 125 3.696 -12.076 4.388 1.00 0.00 N ATOM 1817 CA MET A 125 4.209 -10.975 3.552 1.00 0.00 C ATOM 1818 C MET A 125 5.285 -10.120 4.238 1.00 0.00 C ATOM 1819 O MET A 125 5.792 -9.170 3.631 1.00 0.00 O ATOM 1820 CB MET A 125 3.052 -10.081 3.081 1.00 0.00 C ATOM 1821 CG MET A 125 2.149 -10.740 2.043 1.00 0.00 C ATOM 1822 SD MET A 125 3.014 -11.187 0.521 1.00 0.00 S ATOM 1823 CE MET A 125 3.137 -9.600 -0.305 1.00 0.00 C ATOM 0 H MET A 125 2.909 -11.821 4.985 1.00 0.00 H new ATOM 0 HA MET A 125 4.693 -11.449 2.698 1.00 0.00 H new ATOM 0 HB2 MET A 125 2.450 -9.796 3.944 1.00 0.00 H new ATOM 0 HB3 MET A 125 3.462 -9.162 2.661 1.00 0.00 H new ATOM 0 HG2 MET A 125 1.704 -11.636 2.476 1.00 0.00 H new ATOM 0 HG3 MET A 125 1.330 -10.062 1.801 1.00 0.00 H new ATOM 0 HE1 MET A 125 4.070 -9.553 -0.866 1.00 0.00 H new ATOM 0 HE2 MET A 125 2.297 -9.479 -0.989 1.00 0.00 H new ATOM 0 HE3 MET A 125 3.119 -8.801 0.437 1.00 0.00 H new ATOM 1833 N ASN A 126 5.657 -10.466 5.484 1.00 0.00 N ATOM 1834 CA ASN A 126 6.681 -9.712 6.239 1.00 0.00 C ATOM 1835 C ASN A 126 8.020 -9.646 5.477 1.00 0.00 C ATOM 1836 O ASN A 126 8.711 -8.625 5.514 1.00 0.00 O ATOM 1837 CB ASN A 126 6.898 -10.351 7.618 1.00 0.00 C ATOM 1838 CG ASN A 126 7.481 -9.387 8.643 1.00 0.00 C ATOM 1839 OD1 ASN A 126 8.468 -8.697 8.378 1.00 0.00 O ATOM 1840 ND2 ASN A 126 6.871 -9.337 9.821 1.00 0.00 N ATOM 0 H ASN A 126 5.266 -11.261 5.990 1.00 0.00 H new ATOM 0 HA ASN A 126 6.315 -8.693 6.362 1.00 0.00 H new ATOM 0 HB2 ASN A 126 5.946 -10.732 7.988 1.00 0.00 H new ATOM 0 HB3 ASN A 126 7.565 -11.207 7.513 1.00 0.00 H new ATOM 0 HD21 ASN A 126 7.216 -8.710 10.548 1.00 0.00 H new ATOM 0 HD22 ASN A 126 6.057 -9.925 9.999 1.00 0.00 H new ATOM 1847 N GLU A 127 8.367 -10.750 4.797 1.00 0.00 N ATOM 1848 CA GLU A 127 9.600 -10.838 4.011 1.00 0.00 C ATOM 1849 C GLU A 127 9.321 -11.594 2.699 1.00 0.00 C ATOM 1850 O GLU A 127 9.763 -12.735 2.505 1.00 0.00 O ATOM 1851 CB GLU A 127 10.714 -11.524 4.833 1.00 0.00 C ATOM 1852 CG GLU A 127 12.125 -11.277 4.310 1.00 0.00 C ATOM 1853 CD GLU A 127 13.177 -12.055 5.077 1.00 0.00 C ATOM 1854 OE1 GLU A 127 13.421 -11.722 6.256 1.00 0.00 O ATOM 1855 OE2 GLU A 127 13.756 -12.999 4.500 1.00 0.00 O ATOM 0 H GLU A 127 7.803 -11.599 4.778 1.00 0.00 H new ATOM 0 HA GLU A 127 9.946 -9.835 3.763 1.00 0.00 H new ATOM 0 HB2 GLU A 127 10.655 -11.175 5.864 1.00 0.00 H new ATOM 0 HB3 GLU A 127 10.528 -12.598 4.849 1.00 0.00 H new ATOM 0 HG2 GLU A 127 12.171 -11.553 3.256 1.00 0.00 H new ATOM 0 HG3 GLU A 127 12.350 -10.212 4.371 1.00 0.00 H new ATOM 1862 N SER A 128 8.571 -10.938 1.808 1.00 0.00 N ATOM 1863 CA SER A 128 8.204 -11.516 0.513 1.00 0.00 C ATOM 1864 C SER A 128 8.676 -10.632 -0.641 1.00 0.00 C ATOM 1865 O SER A 128 8.905 -9.433 -0.458 1.00 0.00 O ATOM 1866 CB SER A 128 6.686 -11.724 0.443 1.00 0.00 C ATOM 1867 OG SER A 128 5.988 -10.505 0.638 1.00 0.00 O ATOM 0 H SER A 128 8.204 -9.999 1.963 1.00 0.00 H new ATOM 0 HA SER A 128 8.700 -12.482 0.417 1.00 0.00 H new ATOM 0 HB2 SER A 128 6.419 -12.147 -0.526 1.00 0.00 H new ATOM 0 HB3 SER A 128 6.381 -12.445 1.201 1.00 0.00 H new ATOM 0 HG SER A 128 5.075 -10.695 0.939 1.00 0.00 H new ATOM 1873 N GLU A 129 8.828 -11.238 -1.827 1.00 0.00 N ATOM 1874 CA GLU A 129 9.269 -10.519 -3.017 1.00 0.00 C ATOM 1875 C GLU A 129 8.066 -10.037 -3.838 1.00 0.00 C ATOM 1876 O GLU A 129 7.221 -10.838 -4.255 1.00 0.00 O ATOM 1877 CB GLU A 129 10.167 -11.430 -3.862 1.00 0.00 C ATOM 1878 CG GLU A 129 11.118 -10.682 -4.783 1.00 0.00 C ATOM 1879 CD GLU A 129 11.919 -11.608 -5.678 1.00 0.00 C ATOM 1880 OE1 GLU A 129 12.784 -12.342 -5.155 1.00 0.00 O ATOM 1881 OE2 GLU A 129 11.681 -11.599 -6.904 1.00 0.00 O ATOM 0 H GLU A 129 8.649 -12.230 -1.982 1.00 0.00 H new ATOM 0 HA GLU A 129 9.838 -9.641 -2.710 1.00 0.00 H new ATOM 0 HB2 GLU A 129 10.749 -12.067 -3.196 1.00 0.00 H new ATOM 0 HB3 GLU A 129 9.538 -12.087 -4.463 1.00 0.00 H new ATOM 0 HG2 GLU A 129 10.548 -9.990 -5.402 1.00 0.00 H new ATOM 0 HG3 GLU A 129 11.802 -10.083 -4.182 1.00 0.00 H new ATOM 1888 N LEU A 130 8.008 -8.720 -4.052 1.00 0.00 N ATOM 1889 CA LEU A 130 6.936 -8.090 -4.823 1.00 0.00 C ATOM 1890 C LEU A 130 7.532 -7.143 -5.864 1.00 0.00 C ATOM 1891 O LEU A 130 8.371 -6.300 -5.533 1.00 0.00 O ATOM 1892 CB LEU A 130 5.984 -7.330 -3.882 1.00 0.00 C ATOM 1893 CG LEU A 130 4.627 -6.924 -4.482 1.00 0.00 C ATOM 1894 CD1 LEU A 130 3.607 -8.046 -4.326 1.00 0.00 C ATOM 1895 CD2 LEU A 130 4.121 -5.648 -3.828 1.00 0.00 C ATOM 0 H LEU A 130 8.702 -8.063 -3.696 1.00 0.00 H new ATOM 0 HA LEU A 130 6.366 -8.862 -5.340 1.00 0.00 H new ATOM 0 HB2 LEU A 130 5.800 -7.950 -3.005 1.00 0.00 H new ATOM 0 HB3 LEU A 130 6.490 -6.429 -3.535 1.00 0.00 H new ATOM 0 HG LEU A 130 4.765 -6.738 -5.547 1.00 0.00 H new ATOM 0 HD11 LEU A 130 2.656 -7.735 -4.758 1.00 0.00 H new ATOM 0 HD12 LEU A 130 3.965 -8.938 -4.841 1.00 0.00 H new ATOM 0 HD13 LEU A 130 3.470 -8.269 -3.268 1.00 0.00 H new ATOM 0 HD21 LEU A 130 3.160 -5.373 -4.263 1.00 0.00 H new ATOM 0 HD22 LEU A 130 4.002 -5.811 -2.757 1.00 0.00 H new ATOM 0 HD23 LEU A 130 4.838 -4.844 -3.995 1.00 0.00 H new ATOM 1907 N PHE A 131 7.092 -7.291 -7.131 1.00 0.00 N ATOM 1908 CA PHE A 131 7.564 -6.460 -8.270 1.00 0.00 C ATOM 1909 C PHE A 131 9.078 -6.628 -8.534 1.00 0.00 C ATOM 1910 O PHE A 131 9.686 -5.826 -9.257 1.00 0.00 O ATOM 1911 CB PHE A 131 7.216 -4.972 -8.052 1.00 0.00 C ATOM 1912 CG PHE A 131 6.808 -4.258 -9.310 1.00 0.00 C ATOM 1913 CD1 PHE A 131 7.753 -3.629 -10.104 1.00 0.00 C ATOM 1914 CD2 PHE A 131 5.477 -4.218 -9.698 1.00 0.00 C ATOM 1915 CE1 PHE A 131 7.379 -2.973 -11.262 1.00 0.00 C ATOM 1916 CE2 PHE A 131 5.099 -3.563 -10.856 1.00 0.00 C ATOM 1917 CZ PHE A 131 6.051 -2.940 -11.638 1.00 0.00 C ATOM 0 H PHE A 131 6.399 -7.990 -7.398 1.00 0.00 H new ATOM 0 HA PHE A 131 7.039 -6.817 -9.156 1.00 0.00 H new ATOM 0 HB2 PHE A 131 6.407 -4.900 -7.325 1.00 0.00 H new ATOM 0 HB3 PHE A 131 8.079 -4.465 -7.620 1.00 0.00 H new ATOM 0 HD1 PHE A 131 8.793 -3.651 -9.815 1.00 0.00 H new ATOM 0 HD2 PHE A 131 4.728 -4.703 -9.090 1.00 0.00 H new ATOM 0 HE1 PHE A 131 8.125 -2.486 -11.872 1.00 0.00 H new ATOM 0 HE2 PHE A 131 4.060 -3.539 -11.148 1.00 0.00 H new ATOM 0 HZ PHE A 131 5.757 -2.428 -12.542 1.00 0.00 H new ATOM 1927 N GLY A 132 9.668 -7.686 -7.958 1.00 0.00 N ATOM 1928 CA GLY A 132 11.093 -7.956 -8.127 1.00 0.00 C ATOM 1929 C GLY A 132 11.946 -7.428 -6.980 1.00 0.00 C ATOM 1930 O GLY A 132 13.176 -7.499 -7.039 1.00 0.00 O ATOM 0 H GLY A 132 9.177 -8.363 -7.374 1.00 0.00 H new ATOM 0 HA2 GLY A 132 11.244 -9.032 -8.218 1.00 0.00 H new ATOM 0 HA3 GLY A 132 11.433 -7.507 -9.060 1.00 0.00 H new ATOM 1934 N ARG A 133 11.287 -6.899 -5.941 1.00 0.00 N ATOM 1935 CA ARG A 133 11.977 -6.352 -4.767 1.00 0.00 C ATOM 1936 C ARG A 133 11.439 -6.978 -3.482 1.00 0.00 C ATOM 1937 O ARG A 133 10.290 -7.422 -3.439 1.00 0.00 O ATOM 1938 CB ARG A 133 11.801 -4.829 -4.694 1.00 0.00 C ATOM 1939 CG ARG A 133 12.472 -4.061 -5.825 1.00 0.00 C ATOM 1940 CD ARG A 133 12.287 -2.560 -5.655 1.00 0.00 C ATOM 1941 NE ARG A 133 13.190 -2.001 -4.642 1.00 0.00 N ATOM 1942 CZ ARG A 133 13.639 -0.736 -4.631 1.00 0.00 C ATOM 1943 NH1 ARG A 133 13.279 0.132 -5.574 1.00 0.00 N ATOM 1944 NH2 ARG A 133 14.454 -0.340 -3.663 1.00 0.00 N ATOM 0 H ARG A 133 10.270 -6.838 -5.891 1.00 0.00 H new ATOM 0 HA ARG A 133 13.036 -6.589 -4.868 1.00 0.00 H new ATOM 0 HB2 ARG A 133 10.736 -4.598 -4.697 1.00 0.00 H new ATOM 0 HB3 ARG A 133 12.201 -4.475 -3.744 1.00 0.00 H new ATOM 0 HG2 ARG A 133 13.535 -4.299 -5.849 1.00 0.00 H new ATOM 0 HG3 ARG A 133 12.053 -4.376 -6.781 1.00 0.00 H new ATOM 0 HD2 ARG A 133 12.463 -2.064 -6.609 1.00 0.00 H new ATOM 0 HD3 ARG A 133 11.255 -2.353 -5.373 1.00 0.00 H new ATOM 0 HE ARG A 133 13.499 -2.619 -3.892 1.00 0.00 H new ATOM 0 HH11 ARG A 133 12.651 -0.160 -6.323 1.00 0.00 H new ATOM 0 HH12 ARG A 133 13.631 1.089 -5.548 1.00 0.00 H new ATOM 0 HH21 ARG A 133 14.736 -0.995 -2.934 1.00 0.00 H new ATOM 0 HH22 ARG A 133 14.799 0.620 -3.648 1.00 0.00 H new ATOM 1958 N THR A 134 12.277 -7.002 -2.435 1.00 0.00 N ATOM 1959 CA THR A 134 11.884 -7.554 -1.131 1.00 0.00 C ATOM 1960 C THR A 134 11.101 -6.502 -0.338 1.00 0.00 C ATOM 1961 O THR A 134 11.506 -5.337 -0.281 1.00 0.00 O ATOM 1962 CB THR A 134 13.115 -8.013 -0.306 1.00 0.00 C ATOM 1963 OG1 THR A 134 14.151 -8.484 -1.178 1.00 0.00 O ATOM 1964 CG2 THR A 134 12.744 -9.128 0.670 1.00 0.00 C ATOM 0 H THR A 134 13.232 -6.645 -2.467 1.00 0.00 H new ATOM 0 HA THR A 134 11.258 -8.427 -1.315 1.00 0.00 H new ATOM 0 HB THR A 134 13.469 -7.152 0.260 1.00 0.00 H new ATOM 0 HG1 THR A 134 14.923 -8.769 -0.645 1.00 0.00 H new ATOM 0 HG21 THR A 134 13.628 -9.428 1.233 1.00 0.00 H new ATOM 0 HG22 THR A 134 11.979 -8.769 1.359 1.00 0.00 H new ATOM 0 HG23 THR A 134 12.360 -9.984 0.115 1.00 0.00 H new ATOM 1972 N ILE A 135 9.988 -6.924 0.268 1.00 0.00 N ATOM 1973 CA ILE A 135 9.137 -6.010 1.041 1.00 0.00 C ATOM 1974 C ILE A 135 9.015 -6.443 2.505 1.00 0.00 C ATOM 1975 O ILE A 135 9.230 -7.612 2.839 1.00 0.00 O ATOM 1976 CB ILE A 135 7.712 -5.852 0.415 1.00 0.00 C ATOM 1977 CG1 ILE A 135 6.986 -7.209 0.269 1.00 0.00 C ATOM 1978 CG2 ILE A 135 7.800 -5.147 -0.938 1.00 0.00 C ATOM 1979 CD1 ILE A 135 5.509 -7.162 0.613 1.00 0.00 C ATOM 0 H ILE A 135 9.655 -7.888 0.240 1.00 0.00 H new ATOM 0 HA ILE A 135 9.633 -5.040 1.005 1.00 0.00 H new ATOM 0 HB ILE A 135 7.123 -5.241 1.099 1.00 0.00 H new ATOM 0 HG12 ILE A 135 7.098 -7.560 -0.757 1.00 0.00 H new ATOM 0 HG13 ILE A 135 7.475 -7.941 0.912 1.00 0.00 H new ATOM 0 HG21 ILE A 135 6.800 -5.045 -1.361 1.00 0.00 H new ATOM 0 HG22 ILE A 135 8.241 -4.159 -0.805 1.00 0.00 H new ATOM 0 HG23 ILE A 135 8.422 -5.734 -1.614 1.00 0.00 H new ATOM 0 HD11 ILE A 135 5.074 -8.153 0.485 1.00 0.00 H new ATOM 0 HD12 ILE A 135 5.386 -6.843 1.648 1.00 0.00 H new ATOM 0 HD13 ILE A 135 5.004 -6.456 -0.046 1.00 0.00 H new ATOM 1991 N ARG A 136 8.668 -5.477 3.360 1.00 0.00 N ATOM 1992 CA ARG A 136 8.493 -5.716 4.791 1.00 0.00 C ATOM 1993 C ARG A 136 7.140 -5.187 5.257 1.00 0.00 C ATOM 1994 O ARG A 136 6.757 -4.068 4.902 1.00 0.00 O ATOM 1995 CB ARG A 136 9.635 -5.077 5.597 1.00 0.00 C ATOM 1996 CG ARG A 136 9.831 -3.577 5.392 1.00 0.00 C ATOM 1997 CD ARG A 136 11.030 -3.093 6.176 1.00 0.00 C ATOM 1998 NE ARG A 136 12.245 -3.042 5.354 1.00 0.00 N ATOM 1999 CZ ARG A 136 13.432 -3.552 5.713 1.00 0.00 C ATOM 2000 NH1 ARG A 136 13.595 -4.165 6.884 1.00 0.00 N ATOM 2001 NH2 ARG A 136 14.465 -3.447 4.887 1.00 0.00 N ATOM 0 H ARG A 136 8.501 -4.511 3.079 1.00 0.00 H new ATOM 0 HA ARG A 136 8.521 -6.792 4.965 1.00 0.00 H new ATOM 0 HB2 ARG A 136 9.454 -5.260 6.656 1.00 0.00 H new ATOM 0 HB3 ARG A 136 10.565 -5.585 5.340 1.00 0.00 H new ATOM 0 HG2 ARG A 136 9.970 -3.363 4.332 1.00 0.00 H new ATOM 0 HG3 ARG A 136 8.938 -3.040 5.711 1.00 0.00 H new ATOM 0 HD2 ARG A 136 10.823 -2.101 6.578 1.00 0.00 H new ATOM 0 HD3 ARG A 136 11.196 -3.753 7.027 1.00 0.00 H new ATOM 0 HE ARG A 136 12.182 -2.586 4.444 1.00 0.00 H new ATOM 0 HH11 ARG A 136 12.808 -4.254 7.527 1.00 0.00 H new ATOM 0 HH12 ARG A 136 14.507 -4.546 7.138 1.00 0.00 H new ATOM 0 HH21 ARG A 136 14.353 -2.981 3.987 1.00 0.00 H new ATOM 0 HH22 ARG A 136 15.371 -3.832 5.152 1.00 0.00 H new ATOM 2015 N VAL A 137 6.420 -5.991 6.048 1.00 0.00 N ATOM 2016 CA VAL A 137 5.107 -5.581 6.550 1.00 0.00 C ATOM 2017 C VAL A 137 5.013 -5.768 8.069 1.00 0.00 C ATOM 2018 O VAL A 137 5.559 -6.728 8.622 1.00 0.00 O ATOM 2019 CB VAL A 137 3.910 -6.300 5.821 1.00 0.00 C ATOM 2020 CG1 VAL A 137 4.256 -6.698 4.391 1.00 0.00 C ATOM 2021 CG2 VAL A 137 3.393 -7.509 6.585 1.00 0.00 C ATOM 0 H VAL A 137 6.721 -6.918 6.350 1.00 0.00 H new ATOM 0 HA VAL A 137 5.014 -4.519 6.321 1.00 0.00 H new ATOM 0 HB VAL A 137 3.111 -5.559 5.788 1.00 0.00 H new ATOM 0 HG11 VAL A 137 3.398 -7.190 3.932 1.00 0.00 H new ATOM 0 HG12 VAL A 137 4.513 -5.807 3.818 1.00 0.00 H new ATOM 0 HG13 VAL A 137 5.105 -7.382 4.399 1.00 0.00 H new ATOM 0 HG21 VAL A 137 2.569 -7.963 6.034 1.00 0.00 H new ATOM 0 HG22 VAL A 137 4.196 -8.237 6.701 1.00 0.00 H new ATOM 0 HG23 VAL A 137 3.043 -7.195 7.568 1.00 0.00 H new ATOM 2031 N ASN A 138 4.313 -4.835 8.720 1.00 0.00 N ATOM 2032 CA ASN A 138 4.111 -4.854 10.175 1.00 0.00 C ATOM 2033 C ASN A 138 2.691 -4.390 10.517 1.00 0.00 C ATOM 2034 O ASN A 138 1.960 -3.929 9.638 1.00 0.00 O ATOM 2035 CB ASN A 138 5.143 -3.956 10.878 1.00 0.00 C ATOM 2036 CG ASN A 138 6.568 -4.467 10.743 1.00 0.00 C ATOM 2037 OD1 ASN A 138 7.393 -3.862 10.058 1.00 0.00 O ATOM 2038 ND2 ASN A 138 6.866 -5.581 11.402 1.00 0.00 N ATOM 0 H ASN A 138 3.869 -4.043 8.254 1.00 0.00 H new ATOM 0 HA ASN A 138 4.245 -5.877 10.528 1.00 0.00 H new ATOM 0 HB2 ASN A 138 5.083 -2.950 10.463 1.00 0.00 H new ATOM 0 HB3 ASN A 138 4.889 -3.880 11.935 1.00 0.00 H new ATOM 0 HD21 ASN A 138 7.809 -5.967 11.352 1.00 0.00 H new ATOM 0 HD22 ASN A 138 6.152 -6.051 11.958 1.00 0.00 H new ATOM 2045 N LEU A 139 2.299 -4.526 11.793 1.00 0.00 N ATOM 2046 CA LEU A 139 0.968 -4.106 12.250 1.00 0.00 C ATOM 2047 C LEU A 139 0.918 -2.582 12.435 1.00 0.00 C ATOM 2048 O LEU A 139 1.731 -2.008 13.168 1.00 0.00 O ATOM 2049 CB LEU A 139 0.616 -4.825 13.564 1.00 0.00 C ATOM 2050 CG LEU A 139 -0.870 -4.823 13.953 1.00 0.00 C ATOM 2051 CD1 LEU A 139 -1.256 -6.146 14.596 1.00 0.00 C ATOM 2052 CD2 LEU A 139 -1.176 -3.669 14.898 1.00 0.00 C ATOM 0 H LEU A 139 2.886 -4.924 12.526 1.00 0.00 H new ATOM 0 HA LEU A 139 0.232 -4.379 11.493 1.00 0.00 H new ATOM 0 HB2 LEU A 139 0.951 -5.860 13.490 1.00 0.00 H new ATOM 0 HB3 LEU A 139 1.184 -4.363 14.372 1.00 0.00 H new ATOM 0 HG LEU A 139 -1.459 -4.693 13.045 1.00 0.00 H new ATOM 0 HD11 LEU A 139 -2.312 -6.125 14.865 1.00 0.00 H new ATOM 0 HD12 LEU A 139 -1.076 -6.959 13.892 1.00 0.00 H new ATOM 0 HD13 LEU A 139 -0.657 -6.303 15.493 1.00 0.00 H new ATOM 0 HD21 LEU A 139 -2.234 -3.685 15.162 1.00 0.00 H new ATOM 0 HD22 LEU A 139 -0.575 -3.770 15.802 1.00 0.00 H new ATOM 0 HD23 LEU A 139 -0.939 -2.725 14.408 1.00 0.00 H new ATOM 2064 N ALA A 140 -0.044 -1.946 11.755 1.00 0.00 N ATOM 2065 CA ALA A 140 -0.222 -0.493 11.813 1.00 0.00 C ATOM 2066 C ALA A 140 -1.282 -0.107 12.841 1.00 0.00 C ATOM 2067 CB ALA A 140 -0.599 0.045 10.437 1.00 0.00 C ATOM 0 H ALA A 140 -0.716 -2.422 11.153 1.00 0.00 H new ATOM 0 HA ALA A 140 0.724 -0.048 12.122 1.00 0.00 H new ATOM 0 HB1 ALA A 140 -0.729 1.126 10.492 1.00 0.00 H new ATOM 0 HB2 ALA A 140 0.192 -0.190 9.725 1.00 0.00 H new ATOM 0 HB3 ALA A 140 -1.531 -0.416 10.109 1.00 0.00 H new