USER MOD reduce.3.24.130724 H: found=0, std=0, add=581, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 578 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: B 45 GLN : amide:sc= -0.115 K(o=-0.018,f=-0.68) USER MOD Set 1.2: B 68 TYR OH : rot 100:sc= 0.0974 USER MOD Set 2.1: B 40 SER OG : rot -52:sc= 0.512 USER MOD Set 2.2: B 43 THR OG1 : rot 180:sc= 0.548 USER MOD Set 3.1: B 25 ASN : amide:sc= -0.574 X(o=-0.9,f=-0.82) USER MOD Set 3.2: B 27 ASN : amide:sc= -0.327 K(o=-0.9,f=-0.27) USER MOD Single : B 6 GLN : amide:sc= -0.596 X(o=-0.6,f=-0.6) USER MOD Single : B 8 SER OG : rot 180:sc= 0.0295 USER MOD Single : B 15 MET CE :methyl -176:sc= 0 (180deg=-0.0225) USER MOD Single : B 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 20 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0209) USER MOD Single : B 21 HIS : no HD1:sc= -0.188 K(o=-0.19,f=-1.3) USER MOD Single : B 22 SER OG : rot 180:sc= 0.121 USER MOD Single : B 23 SER OG : rot 160:sc= 0 USER MOD Single : B 26 THR OG1 : rot 180:sc=0.000104 USER MOD Single : B 31 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0486) USER MOD Single : B 34 SER OG : rot -84:sc= 0.888 USER MOD Single : B 35 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0262) USER MOD Single : B 36 THR OG1 : rot -81:sc= 0.507 USER MOD Single : B 37 SER OG : rot 177:sc= 0.336 USER MOD Single : B 38 THR OG1 : rot 180:sc= 0.165 USER MOD Single : B 42 LYS NZ :NH3+ -165:sc= -0.0171 (180deg=-0.198) USER MOD Single : B 46 THR OG1 : rot 180:sc= 0 USER MOD Single : B 47 MET CE :methyl 177:sc= -0.609 (180deg=-0.691) USER MOD Single : B 53 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.035) USER MOD Single : B 54 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0225) USER MOD Single : B 58 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 59 HIS : no HE2:sc= -0.69 K(o=-0.69,f=-1.9) USER MOD Single : B 60 HIS : no HD1:sc= 0.0166 X(o=0.017,f=-0.11) USER MOD Single : B 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 69 THR OG1 : rot -36:sc= 0.643 USER MOD Single : B 71 ASN : amide:sc= -0.0129 X(o=-0.013,f=0.0056) USER MOD ----------------------------------------------------------------- ATOM 851 N PRO B 5 6.360 8.482 0.987 1.00 0.00 N ATOM 852 CA PRO B 5 7.122 7.294 0.633 1.00 0.00 C ATOM 853 C PRO B 5 7.658 7.399 -0.794 1.00 0.00 C ATOM 854 O PRO B 5 7.017 7.994 -1.660 1.00 0.00 O ATOM 855 CB PRO B 5 6.133 6.139 0.780 1.00 0.00 C ATOM 856 CG PRO B 5 4.812 6.777 0.367 1.00 0.00 C ATOM 857 CD PRO B 5 4.934 8.185 0.949 1.00 0.00 C ATOM 0 HA PRO B 5 7.998 7.156 1.267 1.00 0.00 H new ATOM 0 HB2 PRO B 5 6.395 5.297 0.139 1.00 0.00 H new ATOM 0 HB3 PRO B 5 6.099 5.762 1.802 1.00 0.00 H new ATOM 0 HG2 PRO B 5 4.690 6.794 -0.716 1.00 0.00 H new ATOM 0 HG3 PRO B 5 3.956 6.241 0.776 1.00 0.00 H new ATOM 0 HD2 PRO B 5 4.401 8.909 0.333 1.00 0.00 H new ATOM 0 HD3 PRO B 5 4.499 8.234 1.947 1.00 0.00 H new ATOM 865 N GLN B 6 8.842 6.821 -1.029 1.00 0.00 N ATOM 866 CA GLN B 6 9.488 6.818 -2.332 1.00 0.00 C ATOM 867 C GLN B 6 8.907 5.652 -3.129 1.00 0.00 C ATOM 868 O GLN B 6 9.174 4.490 -2.830 1.00 0.00 O ATOM 869 CB GLN B 6 11.015 6.735 -2.180 1.00 0.00 C ATOM 870 CG GLN B 6 11.645 8.084 -1.802 1.00 0.00 C ATOM 871 CD GLN B 6 11.133 8.634 -0.470 1.00 0.00 C ATOM 872 OE1 GLN B 6 11.521 8.152 0.592 1.00 0.00 O ATOM 873 NE2 GLN B 6 10.262 9.646 -0.525 1.00 0.00 N ATOM 0 H GLN B 6 9.378 6.339 -0.307 1.00 0.00 H new ATOM 0 HA GLN B 6 9.296 7.746 -2.870 1.00 0.00 H new ATOM 0 HB2 GLN B 6 11.261 5.997 -1.417 1.00 0.00 H new ATOM 0 HB3 GLN B 6 11.451 6.384 -3.115 1.00 0.00 H new ATOM 0 HG2 GLN B 6 12.728 7.970 -1.749 1.00 0.00 H new ATOM 0 HG3 GLN B 6 11.439 8.808 -2.590 1.00 0.00 H new ATOM 0 HE21 GLN B 6 9.966 10.016 -1.428 1.00 0.00 H new ATOM 0 HE22 GLN B 6 9.893 10.048 0.336 1.00 0.00 H new ATOM 882 N ILE B 7 8.106 5.979 -4.147 1.00 0.00 N ATOM 883 CA ILE B 7 7.410 5.022 -4.991 1.00 0.00 C ATOM 884 C ILE B 7 8.332 4.459 -6.075 1.00 0.00 C ATOM 885 O ILE B 7 9.290 5.101 -6.504 1.00 0.00 O ATOM 886 CB ILE B 7 6.153 5.681 -5.592 1.00 0.00 C ATOM 887 CG1 ILE B 7 5.257 6.328 -4.518 1.00 0.00 C ATOM 888 CG2 ILE B 7 5.335 4.679 -6.423 1.00 0.00 C ATOM 889 CD1 ILE B 7 4.855 5.383 -3.385 1.00 0.00 C ATOM 0 H ILE B 7 7.923 6.948 -4.409 1.00 0.00 H new ATOM 0 HA ILE B 7 7.097 4.175 -4.381 1.00 0.00 H new ATOM 0 HB ILE B 7 6.511 6.474 -6.249 1.00 0.00 H new ATOM 0 HG12 ILE B 7 5.779 7.185 -4.093 1.00 0.00 H new ATOM 0 HG13 ILE B 7 4.354 6.709 -4.995 1.00 0.00 H new ATOM 0 HG21 ILE B 7 4.456 5.177 -6.832 1.00 0.00 H new ATOM 0 HG22 ILE B 7 5.948 4.297 -7.239 1.00 0.00 H new ATOM 0 HG23 ILE B 7 5.020 3.851 -5.788 1.00 0.00 H new ATOM 0 HD11 ILE B 7 4.226 5.916 -2.672 1.00 0.00 H new ATOM 0 HD12 ILE B 7 4.303 4.538 -3.795 1.00 0.00 H new ATOM 0 HD13 ILE B 7 5.750 5.021 -2.879 1.00 0.00 H new ATOM 901 N SER B 8 8.012 3.230 -6.489 1.00 0.00 N ATOM 902 CA SER B 8 8.676 2.440 -7.507 1.00 0.00 C ATOM 903 C SER B 8 7.613 1.549 -8.161 1.00 0.00 C ATOM 904 O SER B 8 6.426 1.673 -7.858 1.00 0.00 O ATOM 905 CB SER B 8 9.805 1.630 -6.853 1.00 0.00 C ATOM 906 OG SER B 8 10.580 0.961 -7.823 1.00 0.00 O ATOM 0 H SER B 8 7.220 2.731 -6.084 1.00 0.00 H new ATOM 0 HA SER B 8 9.133 3.060 -8.278 1.00 0.00 H new ATOM 0 HB2 SER B 8 10.442 2.295 -6.270 1.00 0.00 H new ATOM 0 HB3 SER B 8 9.381 0.905 -6.159 1.00 0.00 H new ATOM 0 HG SER B 8 11.292 0.454 -7.380 1.00 0.00 H new ATOM 912 N ASP B 9 8.035 0.653 -9.060 1.00 0.00 N ATOM 913 CA ASP B 9 7.143 -0.263 -9.755 1.00 0.00 C ATOM 914 C ASP B 9 6.410 -1.147 -8.746 1.00 0.00 C ATOM 915 O ASP B 9 5.186 -1.087 -8.656 1.00 0.00 O ATOM 916 CB ASP B 9 7.951 -1.090 -10.765 1.00 0.00 C ATOM 917 CG ASP B 9 7.088 -2.118 -11.496 1.00 0.00 C ATOM 918 OD1 ASP B 9 6.054 -1.700 -12.062 1.00 0.00 O ATOM 919 OD2 ASP B 9 7.479 -3.306 -11.477 1.00 0.00 O ATOM 0 H ASP B 9 9.015 0.548 -9.323 1.00 0.00 H new ATOM 0 HA ASP B 9 6.386 0.296 -10.305 1.00 0.00 H new ATOM 0 HB2 ASP B 9 8.411 -0.422 -11.493 1.00 0.00 H new ATOM 0 HB3 ASP B 9 8.761 -1.602 -10.246 1.00 0.00 H new ATOM 924 N ALA B 10 7.161 -1.940 -7.972 1.00 0.00 N ATOM 925 CA ALA B 10 6.611 -2.837 -6.967 1.00 0.00 C ATOM 926 C ALA B 10 5.873 -2.091 -5.854 1.00 0.00 C ATOM 927 O ALA B 10 4.914 -2.626 -5.300 1.00 0.00 O ATOM 928 CB ALA B 10 7.728 -3.711 -6.391 1.00 0.00 C ATOM 0 H ALA B 10 8.179 -1.972 -8.032 1.00 0.00 H new ATOM 0 HA ALA B 10 5.870 -3.469 -7.457 1.00 0.00 H new ATOM 0 HB1 ALA B 10 7.314 -4.382 -5.639 1.00 0.00 H new ATOM 0 HB2 ALA B 10 8.180 -4.298 -7.191 1.00 0.00 H new ATOM 0 HB3 ALA B 10 8.487 -3.077 -5.933 1.00 0.00 H new ATOM 934 N GLU B 11 6.307 -0.865 -5.535 1.00 0.00 N ATOM 935 CA GLU B 11 5.702 -0.046 -4.495 1.00 0.00 C ATOM 936 C GLU B 11 4.251 0.281 -4.849 1.00 0.00 C ATOM 937 O GLU B 11 3.350 0.045 -4.048 1.00 0.00 O ATOM 938 CB GLU B 11 6.508 1.246 -4.290 1.00 0.00 C ATOM 939 CG GLU B 11 6.802 1.540 -2.816 1.00 0.00 C ATOM 940 CD GLU B 11 5.693 2.279 -2.073 1.00 0.00 C ATOM 941 OE1 GLU B 11 4.511 1.997 -2.355 1.00 0.00 O ATOM 942 OE2 GLU B 11 6.050 3.104 -1.205 1.00 0.00 O ATOM 0 H GLU B 11 7.096 -0.416 -6.000 1.00 0.00 H new ATOM 0 HA GLU B 11 5.712 -0.611 -3.563 1.00 0.00 H new ATOM 0 HB2 GLU B 11 7.449 1.171 -4.835 1.00 0.00 H new ATOM 0 HB3 GLU B 11 5.957 2.083 -4.719 1.00 0.00 H new ATOM 0 HG2 GLU B 11 6.996 0.597 -2.305 1.00 0.00 H new ATOM 0 HG3 GLU B 11 7.716 2.130 -2.754 1.00 0.00 H new ATOM 949 N LEU B 12 4.034 0.819 -6.054 1.00 0.00 N ATOM 950 CA LEU B 12 2.727 1.228 -6.544 1.00 0.00 C ATOM 951 C LEU B 12 1.774 0.043 -6.702 1.00 0.00 C ATOM 952 O LEU B 12 0.624 0.131 -6.278 1.00 0.00 O ATOM 953 CB LEU B 12 2.924 1.996 -7.863 1.00 0.00 C ATOM 954 CG LEU B 12 1.682 2.658 -8.489 1.00 0.00 C ATOM 955 CD1 LEU B 12 0.790 1.691 -9.281 1.00 0.00 C ATOM 956 CD2 LEU B 12 0.857 3.437 -7.460 1.00 0.00 C ATOM 0 H LEU B 12 4.784 0.983 -6.726 1.00 0.00 H new ATOM 0 HA LEU B 12 2.254 1.882 -5.812 1.00 0.00 H new ATOM 0 HB2 LEU B 12 3.670 2.772 -7.693 1.00 0.00 H new ATOM 0 HB3 LEU B 12 3.343 1.306 -8.595 1.00 0.00 H new ATOM 0 HG LEU B 12 2.085 3.367 -9.213 1.00 0.00 H new ATOM 0 HD11 LEU B 12 -0.062 2.234 -9.689 1.00 0.00 H new ATOM 0 HD12 LEU B 12 1.364 1.251 -10.096 1.00 0.00 H new ATOM 0 HD13 LEU B 12 0.434 0.901 -8.620 1.00 0.00 H new ATOM 0 HD21 LEU B 12 -0.007 3.885 -7.950 1.00 0.00 H new ATOM 0 HD22 LEU B 12 0.519 2.759 -6.676 1.00 0.00 H new ATOM 0 HD23 LEU B 12 1.472 4.222 -7.020 1.00 0.00 H new ATOM 968 N GLU B 13 2.244 -1.057 -7.304 1.00 0.00 N ATOM 969 CA GLU B 13 1.453 -2.254 -7.553 1.00 0.00 C ATOM 970 C GLU B 13 0.665 -2.741 -6.336 1.00 0.00 C ATOM 971 O GLU B 13 -0.522 -3.032 -6.471 1.00 0.00 O ATOM 972 CB GLU B 13 2.366 -3.356 -8.084 1.00 0.00 C ATOM 973 CG GLU B 13 2.736 -3.119 -9.552 1.00 0.00 C ATOM 974 CD GLU B 13 3.716 -4.178 -10.049 1.00 0.00 C ATOM 975 OE1 GLU B 13 3.231 -5.248 -10.476 1.00 0.00 O ATOM 976 OE2 GLU B 13 4.934 -3.906 -9.982 1.00 0.00 O ATOM 0 H GLU B 13 3.205 -1.134 -7.636 1.00 0.00 H new ATOM 0 HA GLU B 13 0.701 -1.992 -8.297 1.00 0.00 H new ATOM 0 HB2 GLU B 13 3.273 -3.400 -7.481 1.00 0.00 H new ATOM 0 HB3 GLU B 13 1.869 -4.321 -7.984 1.00 0.00 H new ATOM 0 HG2 GLU B 13 1.835 -3.137 -10.165 1.00 0.00 H new ATOM 0 HG3 GLU B 13 3.178 -2.129 -9.664 1.00 0.00 H new ATOM 983 N VAL B 14 1.298 -2.833 -5.157 1.00 0.00 N ATOM 984 CA VAL B 14 0.612 -3.298 -3.960 1.00 0.00 C ATOM 985 C VAL B 14 -0.422 -2.284 -3.479 1.00 0.00 C ATOM 986 O VAL B 14 -1.516 -2.684 -3.089 1.00 0.00 O ATOM 987 CB VAL B 14 1.589 -3.719 -2.849 1.00 0.00 C ATOM 988 CG1 VAL B 14 2.601 -4.724 -3.403 1.00 0.00 C ATOM 989 CG2 VAL B 14 2.332 -2.580 -2.144 1.00 0.00 C ATOM 0 H VAL B 14 2.279 -2.591 -5.015 1.00 0.00 H new ATOM 0 HA VAL B 14 0.067 -4.201 -4.234 1.00 0.00 H new ATOM 0 HB VAL B 14 0.958 -4.164 -2.079 1.00 0.00 H new ATOM 0 HG11 VAL B 14 3.291 -5.019 -2.612 1.00 0.00 H new ATOM 0 HG12 VAL B 14 2.075 -5.604 -3.773 1.00 0.00 H new ATOM 0 HG13 VAL B 14 3.159 -4.266 -4.219 1.00 0.00 H new ATOM 0 HG21 VAL B 14 2.992 -2.993 -1.381 1.00 0.00 H new ATOM 0 HG22 VAL B 14 2.923 -2.025 -2.873 1.00 0.00 H new ATOM 0 HG23 VAL B 14 1.611 -1.910 -1.676 1.00 0.00 H new ATOM 999 N MET B 15 -0.082 -0.987 -3.533 1.00 0.00 N ATOM 1000 CA MET B 15 -0.949 0.112 -3.121 1.00 0.00 C ATOM 1001 C MET B 15 -2.313 -0.002 -3.795 1.00 0.00 C ATOM 1002 O MET B 15 -3.345 0.158 -3.152 1.00 0.00 O ATOM 1003 CB MET B 15 -0.338 1.469 -3.482 1.00 0.00 C ATOM 1004 CG MET B 15 1.159 1.621 -3.169 1.00 0.00 C ATOM 1005 SD MET B 15 1.770 3.318 -3.345 1.00 0.00 S ATOM 1006 CE MET B 15 1.478 3.915 -1.663 1.00 0.00 C ATOM 0 H MET B 15 0.827 -0.673 -3.874 1.00 0.00 H new ATOM 0 HA MET B 15 -1.061 0.046 -2.039 1.00 0.00 H new ATOM 0 HB2 MET B 15 -0.489 1.645 -4.547 1.00 0.00 H new ATOM 0 HB3 MET B 15 -0.884 2.248 -2.950 1.00 0.00 H new ATOM 0 HG2 MET B 15 1.345 1.281 -2.150 1.00 0.00 H new ATOM 0 HG3 MET B 15 1.728 0.969 -3.831 1.00 0.00 H new ATOM 0 HE1 MET B 15 1.731 4.973 -1.603 1.00 0.00 H new ATOM 0 HE2 MET B 15 0.428 3.778 -1.406 1.00 0.00 H new ATOM 0 HE3 MET B 15 2.099 3.353 -0.965 1.00 0.00 H new ATOM 1016 N LYS B 16 -2.281 -0.274 -5.104 1.00 0.00 N ATOM 1017 CA LYS B 16 -3.433 -0.466 -5.970 1.00 0.00 C ATOM 1018 C LYS B 16 -4.404 -1.491 -5.379 1.00 0.00 C ATOM 1019 O LYS B 16 -5.602 -1.225 -5.310 1.00 0.00 O ATOM 1020 CB LYS B 16 -2.943 -0.894 -7.359 1.00 0.00 C ATOM 1021 CG LYS B 16 -4.048 -0.769 -8.414 1.00 0.00 C ATOM 1022 CD LYS B 16 -3.615 -1.335 -9.774 1.00 0.00 C ATOM 1023 CE LYS B 16 -2.430 -0.575 -10.382 1.00 0.00 C ATOM 1024 NZ LYS B 16 -2.139 -1.047 -11.746 1.00 0.00 N ATOM 0 H LYS B 16 -1.399 -0.370 -5.608 1.00 0.00 H new ATOM 0 HA LYS B 16 -3.981 0.472 -6.057 1.00 0.00 H new ATOM 0 HB2 LYS B 16 -2.091 -0.279 -7.650 1.00 0.00 H new ATOM 0 HB3 LYS B 16 -2.593 -1.925 -7.319 1.00 0.00 H new ATOM 0 HG2 LYS B 16 -4.938 -1.295 -8.070 1.00 0.00 H new ATOM 0 HG3 LYS B 16 -4.322 0.280 -8.529 1.00 0.00 H new ATOM 0 HD2 LYS B 16 -3.346 -2.385 -9.657 1.00 0.00 H new ATOM 0 HD3 LYS B 16 -4.458 -1.297 -10.464 1.00 0.00 H new ATOM 0 HE2 LYS B 16 -2.651 0.492 -10.403 1.00 0.00 H new ATOM 0 HE3 LYS B 16 -1.549 -0.706 -9.753 1.00 0.00 H new ATOM 0 HZ1 LYS B 16 -1.333 -0.516 -12.133 1.00 0.00 H new ATOM 0 HZ2 LYS B 16 -1.905 -2.060 -11.720 1.00 0.00 H new ATOM 0 HZ3 LYS B 16 -2.973 -0.899 -12.350 1.00 0.00 H new ATOM 1038 N VAL B 17 -3.889 -2.653 -4.947 1.00 0.00 N ATOM 1039 CA VAL B 17 -4.691 -3.707 -4.345 1.00 0.00 C ATOM 1040 C VAL B 17 -5.271 -3.242 -3.006 1.00 0.00 C ATOM 1041 O VAL B 17 -6.415 -3.566 -2.694 1.00 0.00 O ATOM 1042 CB VAL B 17 -3.846 -4.991 -4.237 1.00 0.00 C ATOM 1043 CG1 VAL B 17 -4.319 -5.906 -3.107 1.00 0.00 C ATOM 1044 CG2 VAL B 17 -3.902 -5.760 -5.562 1.00 0.00 C ATOM 0 H VAL B 17 -2.897 -2.880 -5.010 1.00 0.00 H new ATOM 0 HA VAL B 17 -5.549 -3.939 -4.976 1.00 0.00 H new ATOM 0 HB VAL B 17 -2.824 -4.686 -4.014 1.00 0.00 H new ATOM 0 HG11 VAL B 17 -3.691 -6.796 -3.073 1.00 0.00 H new ATOM 0 HG12 VAL B 17 -4.249 -5.376 -2.157 1.00 0.00 H new ATOM 0 HG13 VAL B 17 -5.354 -6.198 -3.285 1.00 0.00 H new ATOM 0 HG21 VAL B 17 -3.303 -6.667 -5.482 1.00 0.00 H new ATOM 0 HG22 VAL B 17 -4.935 -6.026 -5.785 1.00 0.00 H new ATOM 0 HG23 VAL B 17 -3.507 -5.135 -6.363 1.00 0.00 H new ATOM 1054 N ILE B 18 -4.500 -2.485 -2.214 1.00 0.00 N ATOM 1055 CA ILE B 18 -4.968 -1.974 -0.934 1.00 0.00 C ATOM 1056 C ILE B 18 -6.093 -0.962 -1.174 1.00 0.00 C ATOM 1057 O ILE B 18 -7.112 -1.006 -0.490 1.00 0.00 O ATOM 1058 CB ILE B 18 -3.805 -1.367 -0.125 1.00 0.00 C ATOM 1059 CG1 ILE B 18 -2.601 -2.342 -0.071 1.00 0.00 C ATOM 1060 CG2 ILE B 18 -4.327 -0.902 1.247 1.00 0.00 C ATOM 1061 CD1 ILE B 18 -1.869 -2.389 1.271 1.00 0.00 C ATOM 0 H ILE B 18 -3.544 -2.216 -2.446 1.00 0.00 H new ATOM 0 HA ILE B 18 -5.367 -2.795 -0.338 1.00 0.00 H new ATOM 0 HB ILE B 18 -3.414 -0.478 -0.620 1.00 0.00 H new ATOM 0 HG12 ILE B 18 -2.954 -3.345 -0.311 1.00 0.00 H new ATOM 0 HG13 ILE B 18 -1.889 -2.060 -0.847 1.00 0.00 H new ATOM 0 HG21 ILE B 18 -3.507 -0.472 1.822 1.00 0.00 H new ATOM 0 HG22 ILE B 18 -5.104 -0.150 1.105 1.00 0.00 H new ATOM 0 HG23 ILE B 18 -4.741 -1.754 1.787 1.00 0.00 H new ATOM 0 HD11 ILE B 18 -1.043 -3.098 1.211 1.00 0.00 H new ATOM 0 HD12 ILE B 18 -1.480 -1.399 1.508 1.00 0.00 H new ATOM 0 HD13 ILE B 18 -2.561 -2.704 2.052 1.00 0.00 H new ATOM 1073 N TRP B 19 -5.905 -0.069 -2.155 1.00 0.00 N ATOM 1074 CA TRP B 19 -6.866 0.954 -2.537 1.00 0.00 C ATOM 1075 C TRP B 19 -8.110 0.346 -3.194 1.00 0.00 C ATOM 1076 O TRP B 19 -9.182 0.945 -3.108 1.00 0.00 O ATOM 1077 CB TRP B 19 -6.187 2.006 -3.429 1.00 0.00 C ATOM 1078 CG TRP B 19 -5.116 2.845 -2.782 1.00 0.00 C ATOM 1079 CD1 TRP B 19 -5.125 3.276 -1.500 1.00 0.00 C ATOM 1080 CD2 TRP B 19 -3.902 3.410 -3.372 1.00 0.00 C ATOM 1081 NE1 TRP B 19 -4.008 4.043 -1.245 1.00 0.00 N ATOM 1082 CE2 TRP B 19 -3.219 4.161 -2.368 1.00 0.00 C ATOM 1083 CE3 TRP B 19 -3.306 3.377 -4.653 1.00 0.00 C ATOM 1084 CZ2 TRP B 19 -2.010 4.826 -2.616 1.00 0.00 C ATOM 1085 CZ3 TRP B 19 -2.100 4.054 -4.916 1.00 0.00 C ATOM 1086 CH2 TRP B 19 -1.443 4.764 -3.896 1.00 0.00 C ATOM 0 H TRP B 19 -5.053 -0.044 -2.716 1.00 0.00 H new ATOM 0 HA TRP B 19 -7.217 1.456 -1.635 1.00 0.00 H new ATOM 0 HB2 TRP B 19 -5.749 1.495 -4.286 1.00 0.00 H new ATOM 0 HB3 TRP B 19 -6.957 2.674 -3.815 1.00 0.00 H new ATOM 0 HD1 TRP B 19 -5.897 3.051 -0.779 1.00 0.00 H new ATOM 0 HE1 TRP B 19 -3.794 4.468 -0.343 1.00 0.00 H new ATOM 0 HE3 TRP B 19 -3.785 2.822 -5.446 1.00 0.00 H new ATOM 0 HZ2 TRP B 19 -1.521 5.380 -1.829 1.00 0.00 H new ATOM 0 HZ3 TRP B 19 -1.676 4.028 -5.909 1.00 0.00 H new ATOM 0 HH2 TRP B 19 -0.505 5.260 -4.098 1.00 0.00 H new ATOM 1097 N LYS B 20 -7.988 -0.829 -3.834 1.00 0.00 N ATOM 1098 CA LYS B 20 -9.122 -1.525 -4.435 1.00 0.00 C ATOM 1099 C LYS B 20 -10.097 -1.905 -3.316 1.00 0.00 C ATOM 1100 O LYS B 20 -11.297 -1.660 -3.424 1.00 0.00 O ATOM 1101 CB LYS B 20 -8.635 -2.749 -5.225 1.00 0.00 C ATOM 1102 CG LYS B 20 -9.767 -3.591 -5.830 1.00 0.00 C ATOM 1103 CD LYS B 20 -10.621 -2.800 -6.830 1.00 0.00 C ATOM 1104 CE LYS B 20 -11.613 -3.708 -7.565 1.00 0.00 C ATOM 1105 NZ LYS B 20 -12.600 -4.303 -6.648 1.00 0.00 N ATOM 0 H LYS B 20 -7.099 -1.317 -3.945 1.00 0.00 H new ATOM 0 HA LYS B 20 -9.640 -0.881 -5.146 1.00 0.00 H new ATOM 0 HB2 LYS B 20 -7.977 -2.413 -6.027 1.00 0.00 H new ATOM 0 HB3 LYS B 20 -8.038 -3.380 -4.566 1.00 0.00 H new ATOM 0 HG2 LYS B 20 -9.341 -4.461 -6.330 1.00 0.00 H new ATOM 0 HG3 LYS B 20 -10.405 -3.965 -5.029 1.00 0.00 H new ATOM 0 HD2 LYS B 20 -11.165 -2.016 -6.304 1.00 0.00 H new ATOM 0 HD3 LYS B 20 -9.972 -2.307 -7.554 1.00 0.00 H new ATOM 0 HE2 LYS B 20 -12.131 -3.133 -8.332 1.00 0.00 H new ATOM 0 HE3 LYS B 20 -11.068 -4.502 -8.076 1.00 0.00 H new ATOM 0 HZ1 LYS B 20 -13.282 -4.869 -7.192 1.00 0.00 H new ATOM 0 HZ2 LYS B 20 -12.112 -4.914 -5.962 1.00 0.00 H new ATOM 0 HZ3 LYS B 20 -13.103 -3.547 -6.142 1.00 0.00 H new ATOM 1119 N HIS B 21 -9.557 -2.481 -2.234 1.00 0.00 N ATOM 1120 CA HIS B 21 -10.282 -2.861 -1.028 1.00 0.00 C ATOM 1121 C HIS B 21 -10.492 -1.591 -0.178 1.00 0.00 C ATOM 1122 O HIS B 21 -9.894 -0.561 -0.492 1.00 0.00 O ATOM 1123 CB HIS B 21 -9.467 -3.952 -0.308 1.00 0.00 C ATOM 1124 CG HIS B 21 -9.398 -5.264 -1.053 1.00 0.00 C ATOM 1125 ND1 HIS B 21 -8.833 -5.364 -2.325 1.00 0.00 N ATOM 1126 CD2 HIS B 21 -9.800 -6.511 -0.649 1.00 0.00 C ATOM 1127 CE1 HIS B 21 -8.923 -6.659 -2.638 1.00 0.00 C ATOM 1128 NE2 HIS B 21 -9.498 -7.388 -1.668 1.00 0.00 N ATOM 0 H HIS B 21 -8.563 -2.701 -2.179 1.00 0.00 H new ATOM 0 HA HIS B 21 -11.267 -3.277 -1.239 1.00 0.00 H new ATOM 0 HB2 HIS B 21 -8.454 -3.585 -0.145 1.00 0.00 H new ATOM 0 HB3 HIS B 21 -9.904 -4.127 0.675 1.00 0.00 H new ATOM 0 HD2 HIS B 21 -10.267 -6.760 0.293 1.00 0.00 H new ATOM 0 HE1 HIS B 21 -8.571 -7.075 -3.571 1.00 0.00 H new ATOM 0 HE2 HIS B 21 -9.676 -8.392 -1.683 1.00 0.00 H new ATOM 1136 N SER B 22 -11.345 -1.609 0.867 1.00 0.00 N ATOM 1137 CA SER B 22 -11.529 -0.404 1.692 1.00 0.00 C ATOM 1138 C SER B 22 -10.175 -0.131 2.349 1.00 0.00 C ATOM 1139 O SER B 22 -9.573 0.918 2.124 1.00 0.00 O ATOM 1140 CB SER B 22 -12.659 -0.619 2.709 1.00 0.00 C ATOM 1141 OG SER B 22 -12.453 -1.779 3.488 1.00 0.00 O ATOM 0 H SER B 22 -11.899 -2.417 1.151 1.00 0.00 H new ATOM 0 HA SER B 22 -11.833 0.461 1.103 1.00 0.00 H new ATOM 0 HB2 SER B 22 -12.729 0.250 3.363 1.00 0.00 H new ATOM 0 HB3 SER B 22 -13.610 -0.699 2.183 1.00 0.00 H new ATOM 0 HG SER B 22 -13.191 -1.881 4.124 1.00 0.00 H new ATOM 1147 N SER B 23 -9.695 -1.108 3.124 1.00 0.00 N ATOM 1148 CA SER B 23 -8.310 -1.200 3.551 1.00 0.00 C ATOM 1149 C SER B 23 -7.948 -2.649 3.193 1.00 0.00 C ATOM 1150 O SER B 23 -8.615 -3.210 2.331 1.00 0.00 O ATOM 1151 CB SER B 23 -8.215 -0.874 5.037 1.00 0.00 C ATOM 1152 OG SER B 23 -8.539 0.482 5.257 1.00 0.00 O ATOM 0 H SER B 23 -10.276 -1.869 3.475 1.00 0.00 H new ATOM 0 HA SER B 23 -7.620 -0.499 3.080 1.00 0.00 H new ATOM 0 HB2 SER B 23 -8.893 -1.514 5.602 1.00 0.00 H new ATOM 0 HB3 SER B 23 -7.207 -1.079 5.399 1.00 0.00 H new ATOM 0 HG SER B 23 -8.789 0.610 6.196 1.00 0.00 H new ATOM 1158 N ILE B 24 -6.978 -3.321 3.830 1.00 0.00 N ATOM 1159 CA ILE B 24 -6.736 -4.739 3.542 1.00 0.00 C ATOM 1160 C ILE B 24 -6.165 -5.516 4.740 1.00 0.00 C ATOM 1161 O ILE B 24 -5.480 -4.899 5.546 1.00 0.00 O ATOM 1162 CB ILE B 24 -6.077 -4.895 2.164 1.00 0.00 C ATOM 1163 CG1 ILE B 24 -6.323 -6.277 1.558 1.00 0.00 C ATOM 1164 CG2 ILE B 24 -4.601 -4.545 2.237 1.00 0.00 C ATOM 1165 CD1 ILE B 24 -6.028 -6.293 0.056 1.00 0.00 C ATOM 0 H ILE B 24 -6.361 -2.915 4.533 1.00 0.00 H new ATOM 0 HA ILE B 24 -7.679 -5.273 3.426 1.00 0.00 H new ATOM 0 HB ILE B 24 -6.550 -4.187 1.484 1.00 0.00 H new ATOM 0 HG12 ILE B 24 -5.695 -7.013 2.061 1.00 0.00 H new ATOM 0 HG13 ILE B 24 -7.358 -6.571 1.729 1.00 0.00 H new ATOM 0 HG21 ILE B 24 -4.150 -4.661 1.251 1.00 0.00 H new ATOM 0 HG22 ILE B 24 -4.488 -3.513 2.568 1.00 0.00 H new ATOM 0 HG23 ILE B 24 -4.104 -5.209 2.944 1.00 0.00 H new ATOM 0 HD11 ILE B 24 -6.214 -7.291 -0.341 1.00 0.00 H new ATOM 0 HD12 ILE B 24 -6.674 -5.576 -0.449 1.00 0.00 H new ATOM 0 HD13 ILE B 24 -4.985 -6.024 -0.113 1.00 0.00 H new ATOM 1177 N ASN B 25 -6.393 -6.835 4.880 1.00 0.00 N ATOM 1178 CA ASN B 25 -5.857 -7.678 5.932 1.00 0.00 C ATOM 1179 C ASN B 25 -4.857 -8.587 5.178 1.00 0.00 C ATOM 1180 O ASN B 25 -5.082 -8.854 3.997 1.00 0.00 O ATOM 1181 CB ASN B 25 -7.067 -8.372 6.599 1.00 0.00 C ATOM 1182 CG ASN B 25 -7.766 -9.362 5.670 1.00 0.00 C ATOM 1183 OD1 ASN B 25 -8.720 -9.001 4.985 1.00 0.00 O ATOM 1184 ND2 ASN B 25 -7.298 -10.610 5.652 1.00 0.00 N ATOM 0 H ASN B 25 -6.983 -7.352 4.228 1.00 0.00 H new ATOM 0 HA ASN B 25 -5.325 -7.199 6.754 1.00 0.00 H new ATOM 0 HB2 ASN B 25 -6.732 -8.895 7.495 1.00 0.00 H new ATOM 0 HB3 ASN B 25 -7.782 -7.615 6.921 1.00 0.00 H new ATOM 0 HD21 ASN B 25 -7.735 -11.310 5.052 1.00 0.00 H new ATOM 0 HD22 ASN B 25 -6.503 -10.865 6.238 1.00 0.00 H new ATOM 1191 N THR B 26 -3.748 -9.033 5.794 1.00 0.00 N ATOM 1192 CA THR B 26 -2.731 -9.863 5.130 1.00 0.00 C ATOM 1193 C THR B 26 -3.274 -10.989 4.246 1.00 0.00 C ATOM 1194 O THR B 26 -2.648 -11.263 3.227 1.00 0.00 O ATOM 1195 CB THR B 26 -1.650 -10.450 6.068 1.00 0.00 C ATOM 1196 OG1 THR B 26 -2.112 -10.655 7.380 1.00 0.00 O ATOM 1197 CG2 THR B 26 -0.359 -9.627 6.072 1.00 0.00 C ATOM 0 H THR B 26 -3.533 -8.827 6.769 1.00 0.00 H new ATOM 0 HA THR B 26 -2.263 -9.121 4.483 1.00 0.00 H new ATOM 0 HB THR B 26 -1.416 -11.429 5.650 1.00 0.00 H new ATOM 0 HG1 THR B 26 -1.389 -11.028 7.927 1.00 0.00 H new ATOM 0 HG21 THR B 26 0.363 -10.086 6.747 1.00 0.00 H new ATOM 0 HG22 THR B 26 0.056 -9.596 5.064 1.00 0.00 H new ATOM 0 HG23 THR B 26 -0.575 -8.613 6.407 1.00 0.00 H new ATOM 1205 N ASN B 27 -4.382 -11.665 4.590 1.00 0.00 N ATOM 1206 CA ASN B 27 -4.861 -12.720 3.694 1.00 0.00 C ATOM 1207 C ASN B 27 -5.302 -12.143 2.354 1.00 0.00 C ATOM 1208 O ASN B 27 -4.976 -12.714 1.319 1.00 0.00 O ATOM 1209 CB ASN B 27 -5.970 -13.573 4.323 1.00 0.00 C ATOM 1210 CG ASN B 27 -7.073 -13.984 3.338 1.00 0.00 C ATOM 1211 OD1 ASN B 27 -6.845 -14.799 2.445 1.00 0.00 O ATOM 1212 ND2 ASN B 27 -8.271 -13.414 3.494 1.00 0.00 N ATOM 0 H ASN B 27 -4.934 -11.511 5.434 1.00 0.00 H new ATOM 0 HA ASN B 27 -4.018 -13.388 3.519 1.00 0.00 H new ATOM 0 HB2 ASN B 27 -5.525 -14.472 4.751 1.00 0.00 H new ATOM 0 HB3 ASN B 27 -6.420 -13.017 5.146 1.00 0.00 H new ATOM 0 HD21 ASN B 27 -9.035 -13.650 2.861 1.00 0.00 H new ATOM 0 HD22 ASN B 27 -8.422 -12.742 4.247 1.00 0.00 H new ATOM 1219 N GLU B 28 -6.063 -11.045 2.362 1.00 0.00 N ATOM 1220 CA GLU B 28 -6.519 -10.420 1.141 1.00 0.00 C ATOM 1221 C GLU B 28 -5.326 -9.841 0.390 1.00 0.00 C ATOM 1222 O GLU B 28 -5.266 -9.966 -0.830 1.00 0.00 O ATOM 1223 CB GLU B 28 -7.569 -9.368 1.493 1.00 0.00 C ATOM 1224 CG GLU B 28 -8.864 -10.016 1.974 1.00 0.00 C ATOM 1225 CD GLU B 28 -9.598 -10.739 0.847 1.00 0.00 C ATOM 1226 OE1 GLU B 28 -10.103 -10.032 -0.052 1.00 0.00 O ATOM 1227 OE2 GLU B 28 -9.637 -11.988 0.901 1.00 0.00 O ATOM 0 H GLU B 28 -6.372 -10.576 3.213 1.00 0.00 H new ATOM 0 HA GLU B 28 -6.988 -11.146 0.477 1.00 0.00 H new ATOM 0 HB2 GLU B 28 -7.180 -8.708 2.269 1.00 0.00 H new ATOM 0 HB3 GLU B 28 -7.773 -8.748 0.620 1.00 0.00 H new ATOM 0 HG2 GLU B 28 -8.640 -10.723 2.772 1.00 0.00 H new ATOM 0 HG3 GLU B 28 -9.515 -9.252 2.398 1.00 0.00 H new ATOM 1234 N VAL B 29 -4.360 -9.248 1.108 1.00 0.00 N ATOM 1235 CA VAL B 29 -3.178 -8.681 0.483 1.00 0.00 C ATOM 1236 C VAL B 29 -2.395 -9.787 -0.223 1.00 0.00 C ATOM 1237 O VAL B 29 -2.263 -9.737 -1.441 1.00 0.00 O ATOM 1238 CB VAL B 29 -2.362 -7.828 1.488 1.00 0.00 C ATOM 1239 CG1 VAL B 29 -1.050 -8.441 1.992 1.00 0.00 C ATOM 1240 CG2 VAL B 29 -1.976 -6.488 0.857 1.00 0.00 C ATOM 0 H VAL B 29 -4.384 -9.154 2.123 1.00 0.00 H new ATOM 0 HA VAL B 29 -3.461 -7.971 -0.294 1.00 0.00 H new ATOM 0 HB VAL B 29 -3.038 -7.741 2.339 1.00 0.00 H new ATOM 0 HG11 VAL B 29 -0.570 -7.752 2.688 1.00 0.00 H new ATOM 0 HG12 VAL B 29 -1.260 -9.382 2.500 1.00 0.00 H new ATOM 0 HG13 VAL B 29 -0.386 -8.625 1.147 1.00 0.00 H new ATOM 0 HG21 VAL B 29 -1.404 -5.900 1.574 1.00 0.00 H new ATOM 0 HG22 VAL B 29 -1.371 -6.665 -0.032 1.00 0.00 H new ATOM 0 HG23 VAL B 29 -2.878 -5.943 0.579 1.00 0.00 H new ATOM 1250 N ILE B 30 -1.951 -10.814 0.514 1.00 0.00 N ATOM 1251 CA ILE B 30 -1.177 -11.916 -0.032 1.00 0.00 C ATOM 1252 C ILE B 30 -1.972 -12.644 -1.104 1.00 0.00 C ATOM 1253 O ILE B 30 -1.452 -12.837 -2.199 1.00 0.00 O ATOM 1254 CB ILE B 30 -0.613 -12.819 1.086 1.00 0.00 C ATOM 1255 CG1 ILE B 30 0.602 -12.079 1.674 1.00 0.00 C ATOM 1256 CG2 ILE B 30 -0.169 -14.191 0.551 1.00 0.00 C ATOM 1257 CD1 ILE B 30 1.140 -12.620 2.992 1.00 0.00 C ATOM 0 H ILE B 30 -2.126 -10.896 1.516 1.00 0.00 H new ATOM 0 HA ILE B 30 -0.294 -11.525 -0.537 1.00 0.00 H new ATOM 0 HB ILE B 30 -1.384 -13.007 1.833 1.00 0.00 H new ATOM 0 HG12 ILE B 30 1.407 -12.102 0.939 1.00 0.00 H new ATOM 0 HG13 ILE B 30 0.331 -11.033 1.817 1.00 0.00 H new ATOM 0 HG21 ILE B 30 0.221 -14.793 1.372 1.00 0.00 H new ATOM 0 HG22 ILE B 30 -1.022 -14.700 0.101 1.00 0.00 H new ATOM 0 HG23 ILE B 30 0.609 -14.054 -0.200 1.00 0.00 H new ATOM 0 HD11 ILE B 30 1.994 -12.021 3.310 1.00 0.00 H new ATOM 0 HD12 ILE B 30 0.360 -12.570 3.751 1.00 0.00 H new ATOM 0 HD13 ILE B 30 1.452 -13.656 2.860 1.00 0.00 H new ATOM 1269 N LYS B 31 -3.222 -13.013 -0.804 1.00 0.00 N ATOM 1270 CA LYS B 31 -4.105 -13.676 -1.756 1.00 0.00 C ATOM 1271 C LYS B 31 -4.147 -12.955 -3.115 1.00 0.00 C ATOM 1272 O LYS B 31 -4.169 -13.619 -4.147 1.00 0.00 O ATOM 1273 CB LYS B 31 -5.510 -13.810 -1.149 1.00 0.00 C ATOM 1274 CG LYS B 31 -6.519 -14.534 -2.054 1.00 0.00 C ATOM 1275 CD LYS B 31 -6.105 -15.979 -2.364 1.00 0.00 C ATOM 1276 CE LYS B 31 -7.193 -16.724 -3.145 1.00 0.00 C ATOM 1277 NZ LYS B 31 -7.423 -16.128 -4.472 1.00 0.00 N ATOM 0 H LYS B 31 -3.646 -12.857 0.110 1.00 0.00 H new ATOM 0 HA LYS B 31 -3.705 -14.671 -1.952 1.00 0.00 H new ATOM 0 HB2 LYS B 31 -5.436 -14.347 -0.204 1.00 0.00 H new ATOM 0 HB3 LYS B 31 -5.892 -12.815 -0.921 1.00 0.00 H new ATOM 0 HG2 LYS B 31 -7.497 -14.536 -1.573 1.00 0.00 H new ATOM 0 HG3 LYS B 31 -6.625 -13.982 -2.988 1.00 0.00 H new ATOM 0 HD2 LYS B 31 -5.180 -15.977 -2.940 1.00 0.00 H new ATOM 0 HD3 LYS B 31 -5.899 -16.507 -1.433 1.00 0.00 H new ATOM 0 HE2 LYS B 31 -6.905 -17.769 -3.261 1.00 0.00 H new ATOM 0 HE3 LYS B 31 -8.122 -16.711 -2.575 1.00 0.00 H new ATOM 0 HZ1 LYS B 31 -8.104 -16.710 -5.001 1.00 0.00 H new ATOM 0 HZ2 LYS B 31 -7.803 -15.167 -4.360 1.00 0.00 H new ATOM 0 HZ3 LYS B 31 -6.525 -16.086 -4.994 1.00 0.00 H new ATOM 1291 N GLU B 32 -4.137 -11.613 -3.125 1.00 0.00 N ATOM 1292 CA GLU B 32 -4.173 -10.817 -4.349 1.00 0.00 C ATOM 1293 C GLU B 32 -2.789 -10.670 -4.990 1.00 0.00 C ATOM 1294 O GLU B 32 -2.625 -11.007 -6.160 1.00 0.00 O ATOM 1295 CB GLU B 32 -4.769 -9.426 -4.074 1.00 0.00 C ATOM 1296 CG GLU B 32 -6.287 -9.351 -4.275 1.00 0.00 C ATOM 1297 CD GLU B 32 -7.082 -10.203 -3.286 1.00 0.00 C ATOM 1298 OE1 GLU B 32 -7.160 -11.428 -3.522 1.00 0.00 O ATOM 1299 OE2 GLU B 32 -7.617 -9.617 -2.321 1.00 0.00 O ATOM 0 H GLU B 32 -4.103 -11.051 -2.274 1.00 0.00 H new ATOM 0 HA GLU B 32 -4.809 -11.353 -5.054 1.00 0.00 H new ATOM 0 HB2 GLU B 32 -4.533 -9.136 -3.050 1.00 0.00 H new ATOM 0 HB3 GLU B 32 -4.289 -8.700 -4.730 1.00 0.00 H new ATOM 0 HG2 GLU B 32 -6.606 -8.313 -4.184 1.00 0.00 H new ATOM 0 HG3 GLU B 32 -6.526 -9.670 -5.289 1.00 0.00 H new ATOM 1306 N LEU B 33 -1.806 -10.147 -4.245 1.00 0.00 N ATOM 1307 CA LEU B 33 -0.458 -9.889 -4.669 1.00 0.00 C ATOM 1308 C LEU B 33 0.208 -11.138 -5.264 1.00 0.00 C ATOM 1309 O LEU B 33 0.922 -11.028 -6.258 1.00 0.00 O ATOM 1310 CB LEU B 33 0.262 -9.393 -3.411 1.00 0.00 C ATOM 1311 CG LEU B 33 0.377 -7.873 -3.233 1.00 0.00 C ATOM 1312 CD1 LEU B 33 -0.970 -7.179 -3.041 1.00 0.00 C ATOM 1313 CD2 LEU B 33 1.242 -7.587 -2.001 1.00 0.00 C ATOM 0 H LEU B 33 -1.959 -9.883 -3.272 1.00 0.00 H new ATOM 0 HA LEU B 33 -0.420 -9.152 -5.471 1.00 0.00 H new ATOM 0 HB2 LEU B 33 -0.255 -9.799 -2.541 1.00 0.00 H new ATOM 0 HB3 LEU B 33 1.268 -9.812 -3.408 1.00 0.00 H new ATOM 0 HG LEU B 33 0.818 -7.480 -4.149 1.00 0.00 H new ATOM 0 HD11 LEU B 33 -0.813 -6.107 -2.921 1.00 0.00 H new ATOM 0 HD12 LEU B 33 -1.599 -7.359 -3.913 1.00 0.00 H new ATOM 0 HD13 LEU B 33 -1.460 -7.575 -2.152 1.00 0.00 H new ATOM 0 HD21 LEU B 33 1.332 -6.510 -1.862 1.00 0.00 H new ATOM 0 HD22 LEU B 33 0.777 -8.029 -1.120 1.00 0.00 H new ATOM 0 HD23 LEU B 33 2.233 -8.019 -2.144 1.00 0.00 H new ATOM 1325 N SER B 34 -0.028 -12.316 -4.669 1.00 0.00 N ATOM 1326 CA SER B 34 0.540 -13.582 -5.116 1.00 0.00 C ATOM 1327 C SER B 34 -0.007 -14.022 -6.477 1.00 0.00 C ATOM 1328 O SER B 34 0.742 -14.549 -7.296 1.00 0.00 O ATOM 1329 CB SER B 34 0.299 -14.672 -4.063 1.00 0.00 C ATOM 1330 OG SER B 34 -1.077 -14.973 -3.943 1.00 0.00 O ATOM 0 H SER B 34 -0.630 -12.410 -3.851 1.00 0.00 H new ATOM 0 HA SER B 34 1.612 -13.429 -5.239 1.00 0.00 H new ATOM 0 HB2 SER B 34 0.848 -15.573 -4.336 1.00 0.00 H new ATOM 0 HB3 SER B 34 0.687 -14.342 -3.099 1.00 0.00 H new ATOM 0 HG SER B 34 -1.501 -14.330 -3.337 1.00 0.00 H new ATOM 1336 N LYS B 35 -1.310 -13.823 -6.710 1.00 0.00 N ATOM 1337 CA LYS B 35 -1.965 -14.190 -7.957 1.00 0.00 C ATOM 1338 C LYS B 35 -1.529 -13.267 -9.091 1.00 0.00 C ATOM 1339 O LYS B 35 -1.225 -13.735 -10.187 1.00 0.00 O ATOM 1340 CB LYS B 35 -3.490 -14.123 -7.788 1.00 0.00 C ATOM 1341 CG LYS B 35 -4.042 -15.225 -6.872 1.00 0.00 C ATOM 1342 CD LYS B 35 -3.980 -16.617 -7.518 1.00 0.00 C ATOM 1343 CE LYS B 35 -4.777 -17.648 -6.711 1.00 0.00 C ATOM 1344 NZ LYS B 35 -4.268 -17.792 -5.337 1.00 0.00 N ATOM 0 H LYS B 35 -1.939 -13.399 -6.028 1.00 0.00 H new ATOM 0 HA LYS B 35 -1.674 -15.209 -8.210 1.00 0.00 H new ATOM 0 HB2 LYS B 35 -3.762 -13.149 -7.380 1.00 0.00 H new ATOM 0 HB3 LYS B 35 -3.962 -14.202 -8.767 1.00 0.00 H new ATOM 0 HG2 LYS B 35 -3.476 -15.235 -5.941 1.00 0.00 H new ATOM 0 HG3 LYS B 35 -5.076 -14.994 -6.614 1.00 0.00 H new ATOM 0 HD2 LYS B 35 -4.373 -16.566 -8.533 1.00 0.00 H new ATOM 0 HD3 LYS B 35 -2.941 -16.938 -7.594 1.00 0.00 H new ATOM 0 HE2 LYS B 35 -5.825 -17.351 -6.679 1.00 0.00 H new ATOM 0 HE3 LYS B 35 -4.735 -18.613 -7.215 1.00 0.00 H new ATOM 0 HZ1 LYS B 35 -4.769 -18.569 -4.861 1.00 0.00 H new ATOM 0 HZ2 LYS B 35 -3.250 -18.002 -5.364 1.00 0.00 H new ATOM 0 HZ3 LYS B 35 -4.425 -16.907 -4.814 1.00 0.00 H new ATOM 1358 N THR B 36 -1.501 -11.959 -8.819 1.00 0.00 N ATOM 1359 CA THR B 36 -1.146 -10.938 -9.789 1.00 0.00 C ATOM 1360 C THR B 36 0.354 -10.959 -10.102 1.00 0.00 C ATOM 1361 O THR B 36 0.739 -11.263 -11.230 1.00 0.00 O ATOM 1362 CB THR B 36 -1.633 -9.566 -9.296 1.00 0.00 C ATOM 1363 OG1 THR B 36 -1.106 -9.266 -8.019 1.00 0.00 O ATOM 1364 CG2 THR B 36 -3.165 -9.532 -9.231 1.00 0.00 C ATOM 0 H THR B 36 -1.730 -11.581 -7.900 1.00 0.00 H new ATOM 0 HA THR B 36 -1.648 -11.150 -10.733 1.00 0.00 H new ATOM 0 HB THR B 36 -1.281 -8.818 -10.006 1.00 0.00 H new ATOM 0 HG1 THR B 36 -1.636 -9.721 -7.331 1.00 0.00 H new ATOM 0 HG21 THR B 36 -3.493 -8.553 -8.880 1.00 0.00 H new ATOM 0 HG22 THR B 36 -3.575 -9.718 -10.224 1.00 0.00 H new ATOM 0 HG23 THR B 36 -3.517 -10.301 -8.543 1.00 0.00 H new ATOM 1372 N SER B 37 1.189 -10.644 -9.105 1.00 0.00 N ATOM 1373 CA SER B 37 2.641 -10.587 -9.219 1.00 0.00 C ATOM 1374 C SER B 37 3.298 -11.886 -8.751 1.00 0.00 C ATOM 1375 O SER B 37 2.671 -12.687 -8.062 1.00 0.00 O ATOM 1376 CB SER B 37 3.161 -9.395 -8.418 1.00 0.00 C ATOM 1377 OG SER B 37 2.613 -8.197 -8.925 1.00 0.00 O ATOM 0 H SER B 37 0.856 -10.415 -8.168 1.00 0.00 H new ATOM 0 HA SER B 37 2.902 -10.462 -10.270 1.00 0.00 H new ATOM 0 HB2 SER B 37 2.896 -9.509 -7.367 1.00 0.00 H new ATOM 0 HB3 SER B 37 4.249 -9.358 -8.471 1.00 0.00 H new ATOM 0 HG SER B 37 2.913 -7.442 -8.377 1.00 0.00 H new ATOM 1383 N THR B 38 4.564 -12.086 -9.146 1.00 0.00 N ATOM 1384 CA THR B 38 5.367 -13.257 -8.805 1.00 0.00 C ATOM 1385 C THR B 38 5.409 -13.448 -7.286 1.00 0.00 C ATOM 1386 O THR B 38 4.839 -14.417 -6.788 1.00 0.00 O ATOM 1387 CB THR B 38 6.774 -13.129 -9.415 1.00 0.00 C ATOM 1388 OG1 THR B 38 7.368 -11.894 -9.063 1.00 0.00 O ATOM 1389 CG2 THR B 38 6.724 -13.240 -10.943 1.00 0.00 C ATOM 0 H THR B 38 5.066 -11.415 -9.728 1.00 0.00 H new ATOM 0 HA THR B 38 4.907 -14.149 -9.230 1.00 0.00 H new ATOM 0 HB THR B 38 7.374 -13.946 -9.014 1.00 0.00 H new ATOM 0 HG1 THR B 38 8.262 -11.836 -9.460 1.00 0.00 H new ATOM 0 HG21 THR B 38 7.732 -13.146 -11.348 1.00 0.00 H new ATOM 0 HG22 THR B 38 6.309 -14.208 -11.224 1.00 0.00 H new ATOM 0 HG23 THR B 38 6.096 -12.445 -11.345 1.00 0.00 H new ATOM 1397 N TRP B 39 6.079 -12.517 -6.589 1.00 0.00 N ATOM 1398 CA TRP B 39 6.266 -12.382 -5.150 1.00 0.00 C ATOM 1399 C TRP B 39 5.538 -13.403 -4.266 1.00 0.00 C ATOM 1400 O TRP B 39 4.309 -13.422 -4.215 1.00 0.00 O ATOM 1401 CB TRP B 39 5.855 -10.959 -4.741 1.00 0.00 C ATOM 1402 CG TRP B 39 6.340 -9.822 -5.591 1.00 0.00 C ATOM 1403 CD1 TRP B 39 7.532 -9.735 -6.224 1.00 0.00 C ATOM 1404 CD2 TRP B 39 5.616 -8.609 -5.949 1.00 0.00 C ATOM 1405 NE1 TRP B 39 7.598 -8.566 -6.952 1.00 0.00 N ATOM 1406 CE2 TRP B 39 6.433 -7.840 -6.827 1.00 0.00 C ATOM 1407 CE3 TRP B 39 4.343 -8.087 -5.628 1.00 0.00 C ATOM 1408 CZ2 TRP B 39 6.002 -6.626 -7.378 1.00 0.00 C ATOM 1409 CZ3 TRP B 39 3.900 -6.870 -6.176 1.00 0.00 C ATOM 1410 CH2 TRP B 39 4.723 -6.150 -7.056 1.00 0.00 C ATOM 0 H TRP B 39 6.552 -11.760 -7.083 1.00 0.00 H new ATOM 0 HA TRP B 39 7.322 -12.586 -4.974 1.00 0.00 H new ATOM 0 HB2 TRP B 39 4.766 -10.918 -4.716 1.00 0.00 H new ATOM 0 HB3 TRP B 39 6.204 -10.789 -3.722 1.00 0.00 H new ATOM 0 HD1 TRP B 39 8.318 -10.474 -6.167 1.00 0.00 H new ATOM 0 HE1 TRP B 39 8.402 -8.277 -7.509 1.00 0.00 H new ATOM 0 HE3 TRP B 39 3.700 -8.631 -4.952 1.00 0.00 H new ATOM 0 HZ2 TRP B 39 6.645 -6.066 -8.040 1.00 0.00 H new ATOM 0 HZ3 TRP B 39 2.923 -6.488 -5.919 1.00 0.00 H new ATOM 0 HH2 TRP B 39 4.369 -5.225 -7.487 1.00 0.00 H new ATOM 1421 N SER B 40 6.309 -14.228 -3.546 1.00 0.00 N ATOM 1422 CA SER B 40 5.803 -15.228 -2.612 1.00 0.00 C ATOM 1423 C SER B 40 5.378 -14.537 -1.303 1.00 0.00 C ATOM 1424 O SER B 40 5.622 -13.340 -1.154 1.00 0.00 O ATOM 1425 CB SER B 40 6.914 -16.265 -2.387 1.00 0.00 C ATOM 1426 OG SER B 40 7.975 -15.712 -1.637 1.00 0.00 O ATOM 0 H SER B 40 7.327 -14.214 -3.602 1.00 0.00 H new ATOM 0 HA SER B 40 4.923 -15.737 -3.007 1.00 0.00 H new ATOM 0 HB2 SER B 40 6.508 -17.132 -1.866 1.00 0.00 H new ATOM 0 HB3 SER B 40 7.288 -16.618 -3.348 1.00 0.00 H new ATOM 0 HG SER B 40 8.271 -14.877 -2.056 1.00 0.00 H new ATOM 1432 N PRO B 41 4.752 -15.242 -0.342 1.00 0.00 N ATOM 1433 CA PRO B 41 4.335 -14.669 0.936 1.00 0.00 C ATOM 1434 C PRO B 41 5.461 -13.927 1.663 1.00 0.00 C ATOM 1435 O PRO B 41 5.199 -12.941 2.350 1.00 0.00 O ATOM 1436 CB PRO B 41 3.797 -15.842 1.757 1.00 0.00 C ATOM 1437 CG PRO B 41 3.250 -16.767 0.673 1.00 0.00 C ATOM 1438 CD PRO B 41 4.303 -16.623 -0.425 1.00 0.00 C ATOM 0 HA PRO B 41 3.576 -13.903 0.781 1.00 0.00 H new ATOM 0 HB2 PRO B 41 4.580 -16.321 2.345 1.00 0.00 H new ATOM 0 HB3 PRO B 41 3.021 -15.529 2.455 1.00 0.00 H new ATOM 0 HG2 PRO B 41 3.161 -17.796 1.021 1.00 0.00 H new ATOM 0 HG3 PRO B 41 2.261 -16.459 0.334 1.00 0.00 H new ATOM 0 HD2 PRO B 41 5.130 -17.316 -0.271 1.00 0.00 H new ATOM 0 HD3 PRO B 41 3.882 -16.842 -1.406 1.00 0.00 H new ATOM 1446 N LYS B 42 6.708 -14.390 1.497 1.00 0.00 N ATOM 1447 CA LYS B 42 7.882 -13.774 2.090 1.00 0.00 C ATOM 1448 C LYS B 42 8.156 -12.448 1.382 1.00 0.00 C ATOM 1449 O LYS B 42 8.184 -11.403 2.026 1.00 0.00 O ATOM 1450 CB LYS B 42 9.105 -14.690 1.928 1.00 0.00 C ATOM 1451 CG LYS B 42 9.081 -15.970 2.777 1.00 0.00 C ATOM 1452 CD LYS B 42 8.168 -17.064 2.205 1.00 0.00 C ATOM 1453 CE LYS B 42 8.374 -18.406 2.916 1.00 0.00 C ATOM 1454 NZ LYS B 42 9.696 -18.991 2.631 1.00 0.00 N ATOM 0 H LYS B 42 6.922 -15.215 0.937 1.00 0.00 H new ATOM 0 HA LYS B 42 7.701 -13.608 3.152 1.00 0.00 H new ATOM 0 HB2 LYS B 42 9.192 -14.971 0.878 1.00 0.00 H new ATOM 0 HB3 LYS B 42 10.000 -14.122 2.181 1.00 0.00 H new ATOM 0 HG2 LYS B 42 10.095 -16.361 2.861 1.00 0.00 H new ATOM 0 HG3 LYS B 42 8.751 -15.722 3.786 1.00 0.00 H new ATOM 0 HD2 LYS B 42 7.127 -16.757 2.303 1.00 0.00 H new ATOM 0 HD3 LYS B 42 8.366 -17.183 1.140 1.00 0.00 H new ATOM 0 HE2 LYS B 42 8.265 -18.266 3.991 1.00 0.00 H new ATOM 0 HE3 LYS B 42 7.596 -19.103 2.605 1.00 0.00 H new ATOM 0 HZ1 LYS B 42 9.701 -19.992 2.913 1.00 0.00 H new ATOM 0 HZ2 LYS B 42 9.896 -18.917 1.613 1.00 0.00 H new ATOM 0 HZ3 LYS B 42 10.425 -18.478 3.166 1.00 0.00 H new ATOM 1468 N THR B 43 8.335 -12.519 0.055 1.00 0.00 N ATOM 1469 CA THR B 43 8.608 -11.421 -0.861 1.00 0.00 C ATOM 1470 C THR B 43 7.626 -10.262 -0.715 1.00 0.00 C ATOM 1471 O THR B 43 8.015 -9.102 -0.798 1.00 0.00 O ATOM 1472 CB THR B 43 8.518 -11.966 -2.288 1.00 0.00 C ATOM 1473 OG1 THR B 43 9.248 -13.168 -2.387 1.00 0.00 O ATOM 1474 CG2 THR B 43 9.019 -10.946 -3.312 1.00 0.00 C ATOM 0 H THR B 43 8.288 -13.413 -0.433 1.00 0.00 H new ATOM 0 HA THR B 43 9.599 -11.030 -0.630 1.00 0.00 H new ATOM 0 HB THR B 43 7.470 -12.164 -2.512 1.00 0.00 H new ATOM 0 HG1 THR B 43 9.186 -13.514 -3.302 1.00 0.00 H new ATOM 0 HG21 THR B 43 8.940 -11.368 -4.314 1.00 0.00 H new ATOM 0 HG22 THR B 43 8.414 -10.041 -3.250 1.00 0.00 H new ATOM 0 HG23 THR B 43 10.060 -10.701 -3.102 1.00 0.00 H new ATOM 1482 N ILE B 44 6.348 -10.592 -0.534 1.00 0.00 N ATOM 1483 CA ILE B 44 5.249 -9.654 -0.393 1.00 0.00 C ATOM 1484 C ILE B 44 5.440 -8.677 0.760 1.00 0.00 C ATOM 1485 O ILE B 44 5.284 -7.468 0.597 1.00 0.00 O ATOM 1486 CB ILE B 44 3.951 -10.470 -0.272 1.00 0.00 C ATOM 1487 CG1 ILE B 44 3.557 -10.869 -1.706 1.00 0.00 C ATOM 1488 CG2 ILE B 44 2.864 -9.691 0.488 1.00 0.00 C ATOM 1489 CD1 ILE B 44 2.510 -11.976 -1.778 1.00 0.00 C ATOM 0 H ILE B 44 6.043 -11.564 -0.480 1.00 0.00 H new ATOM 0 HA ILE B 44 5.203 -9.015 -1.275 1.00 0.00 H new ATOM 0 HB ILE B 44 4.088 -11.371 0.326 1.00 0.00 H new ATOM 0 HG12 ILE B 44 3.177 -9.989 -2.225 1.00 0.00 H new ATOM 0 HG13 ILE B 44 4.450 -11.193 -2.240 1.00 0.00 H new ATOM 0 HG21 ILE B 44 1.961 -10.298 0.555 1.00 0.00 H new ATOM 0 HG22 ILE B 44 3.219 -9.457 1.492 1.00 0.00 H new ATOM 0 HG23 ILE B 44 2.641 -8.766 -0.043 1.00 0.00 H new ATOM 0 HD11 ILE B 44 2.287 -12.199 -2.821 1.00 0.00 H new ATOM 0 HD12 ILE B 44 2.893 -12.872 -1.290 1.00 0.00 H new ATOM 0 HD13 ILE B 44 1.600 -11.650 -1.274 1.00 0.00 H new ATOM 1501 N GLN B 45 5.774 -9.229 1.920 1.00 0.00 N ATOM 1502 CA GLN B 45 5.883 -8.518 3.175 1.00 0.00 C ATOM 1503 C GLN B 45 6.825 -7.318 3.251 1.00 0.00 C ATOM 1504 O GLN B 45 6.524 -6.409 4.020 1.00 0.00 O ATOM 1505 CB GLN B 45 6.100 -9.543 4.277 1.00 0.00 C ATOM 1506 CG GLN B 45 4.778 -10.300 4.503 1.00 0.00 C ATOM 1507 CD GLN B 45 3.679 -9.434 5.121 1.00 0.00 C ATOM 1508 OE1 GLN B 45 2.568 -9.386 4.598 1.00 0.00 O ATOM 1509 NE2 GLN B 45 3.979 -8.736 6.219 1.00 0.00 N ATOM 0 H GLN B 45 5.983 -10.223 2.009 1.00 0.00 H new ATOM 0 HA GLN B 45 4.937 -7.992 3.304 1.00 0.00 H new ATOM 0 HB2 GLN B 45 6.892 -10.238 3.998 1.00 0.00 H new ATOM 0 HB3 GLN B 45 6.417 -9.050 5.196 1.00 0.00 H new ATOM 0 HG2 GLN B 45 4.426 -10.694 3.550 1.00 0.00 H new ATOM 0 HG3 GLN B 45 4.964 -11.155 5.152 1.00 0.00 H new ATOM 0 HE21 GLN B 45 4.912 -8.801 6.625 1.00 0.00 H new ATOM 0 HE22 GLN B 45 3.275 -8.138 6.651 1.00 0.00 H new ATOM 1518 N THR B 46 7.934 -7.268 2.503 1.00 0.00 N ATOM 1519 CA THR B 46 8.807 -6.094 2.563 1.00 0.00 C ATOM 1520 C THR B 46 8.075 -4.837 2.103 1.00 0.00 C ATOM 1521 O THR B 46 8.203 -3.793 2.739 1.00 0.00 O ATOM 1522 CB THR B 46 10.090 -6.251 1.746 1.00 0.00 C ATOM 1523 OG1 THR B 46 10.889 -5.105 1.970 1.00 0.00 O ATOM 1524 CG2 THR B 46 9.861 -6.364 0.235 1.00 0.00 C ATOM 0 H THR B 46 8.240 -8.004 1.867 1.00 0.00 H new ATOM 0 HA THR B 46 9.090 -5.998 3.611 1.00 0.00 H new ATOM 0 HB THR B 46 10.559 -7.180 2.071 1.00 0.00 H new ATOM 0 HG1 THR B 46 11.721 -5.181 1.458 1.00 0.00 H new ATOM 0 HG21 THR B 46 10.820 -6.472 -0.271 1.00 0.00 H new ATOM 0 HG22 THR B 46 9.240 -7.235 0.025 1.00 0.00 H new ATOM 0 HG23 THR B 46 9.360 -5.465 -0.125 1.00 0.00 H new ATOM 1532 N MET B 47 7.312 -4.945 1.005 1.00 0.00 N ATOM 1533 CA MET B 47 6.570 -3.824 0.458 1.00 0.00 C ATOM 1534 C MET B 47 5.588 -3.267 1.485 1.00 0.00 C ATOM 1535 O MET B 47 5.183 -2.120 1.360 1.00 0.00 O ATOM 1536 CB MET B 47 5.855 -4.196 -0.846 1.00 0.00 C ATOM 1537 CG MET B 47 6.836 -4.517 -1.979 1.00 0.00 C ATOM 1538 SD MET B 47 7.318 -6.256 -2.138 1.00 0.00 S ATOM 1539 CE MET B 47 5.852 -6.905 -2.970 1.00 0.00 C ATOM 0 H MET B 47 7.199 -5.813 0.481 1.00 0.00 H new ATOM 0 HA MET B 47 7.290 -3.042 0.218 1.00 0.00 H new ATOM 0 HB2 MET B 47 5.211 -5.058 -0.671 1.00 0.00 H new ATOM 0 HB3 MET B 47 5.209 -3.373 -1.151 1.00 0.00 H new ATOM 0 HG2 MET B 47 6.391 -4.196 -2.921 1.00 0.00 H new ATOM 0 HG3 MET B 47 7.737 -3.922 -1.833 1.00 0.00 H new ATOM 0 HE1 MET B 47 5.999 -7.961 -3.195 1.00 0.00 H new ATOM 0 HE2 MET B 47 4.984 -6.790 -2.320 1.00 0.00 H new ATOM 0 HE3 MET B 47 5.687 -6.356 -3.897 1.00 0.00 H new ATOM 1549 N LEU B 48 5.145 -4.088 2.442 1.00 0.00 N ATOM 1550 CA LEU B 48 4.260 -3.687 3.519 1.00 0.00 C ATOM 1551 C LEU B 48 5.045 -3.148 4.720 1.00 0.00 C ATOM 1552 O LEU B 48 4.889 -1.991 5.096 1.00 0.00 O ATOM 1553 CB LEU B 48 3.353 -4.875 3.860 1.00 0.00 C ATOM 1554 CG LEU B 48 2.462 -5.221 2.650 1.00 0.00 C ATOM 1555 CD1 LEU B 48 2.002 -6.678 2.691 1.00 0.00 C ATOM 1556 CD2 LEU B 48 1.255 -4.281 2.589 1.00 0.00 C ATOM 0 H LEU B 48 5.404 -5.074 2.482 1.00 0.00 H new ATOM 0 HA LEU B 48 3.629 -2.855 3.206 1.00 0.00 H new ATOM 0 HB2 LEU B 48 3.959 -5.739 4.135 1.00 0.00 H new ATOM 0 HB3 LEU B 48 2.732 -4.633 4.723 1.00 0.00 H new ATOM 0 HG LEU B 48 3.060 -5.087 1.748 1.00 0.00 H new ATOM 0 HD11 LEU B 48 1.376 -6.887 1.823 1.00 0.00 H new ATOM 0 HD12 LEU B 48 2.872 -7.335 2.677 1.00 0.00 H new ATOM 0 HD13 LEU B 48 1.429 -6.853 3.602 1.00 0.00 H new ATOM 0 HD21 LEU B 48 0.636 -4.539 1.729 1.00 0.00 H new ATOM 0 HD22 LEU B 48 0.668 -4.383 3.502 1.00 0.00 H new ATOM 0 HD23 LEU B 48 1.600 -3.252 2.492 1.00 0.00 H new ATOM 1568 N LEU B 49 5.907 -3.993 5.299 1.00 0.00 N ATOM 1569 CA LEU B 49 6.707 -3.728 6.490 1.00 0.00 C ATOM 1570 C LEU B 49 7.577 -2.475 6.395 1.00 0.00 C ATOM 1571 O LEU B 49 7.495 -1.615 7.269 1.00 0.00 O ATOM 1572 CB LEU B 49 7.539 -4.988 6.805 1.00 0.00 C ATOM 1573 CG LEU B 49 8.334 -5.015 8.126 1.00 0.00 C ATOM 1574 CD1 LEU B 49 9.717 -4.360 8.018 1.00 0.00 C ATOM 1575 CD2 LEU B 49 7.561 -4.427 9.310 1.00 0.00 C ATOM 0 H LEU B 49 6.070 -4.928 4.926 1.00 0.00 H new ATOM 0 HA LEU B 49 6.024 -3.510 7.311 1.00 0.00 H new ATOM 0 HB2 LEU B 49 6.864 -5.844 6.803 1.00 0.00 H new ATOM 0 HB3 LEU B 49 8.244 -5.137 5.987 1.00 0.00 H new ATOM 0 HG LEU B 49 8.486 -6.076 8.323 1.00 0.00 H new ATOM 0 HD11 LEU B 49 10.221 -4.414 8.983 1.00 0.00 H new ATOM 0 HD12 LEU B 49 10.310 -4.884 7.268 1.00 0.00 H new ATOM 0 HD13 LEU B 49 9.603 -3.316 7.726 1.00 0.00 H new ATOM 0 HD21 LEU B 49 8.177 -4.477 10.208 1.00 0.00 H new ATOM 0 HD22 LEU B 49 7.309 -3.388 9.100 1.00 0.00 H new ATOM 0 HD23 LEU B 49 6.646 -4.998 9.466 1.00 0.00 H new ATOM 1587 N ARG B 50 8.412 -2.365 5.355 1.00 0.00 N ATOM 1588 CA ARG B 50 9.333 -1.244 5.207 1.00 0.00 C ATOM 1589 C ARG B 50 8.593 0.062 4.977 1.00 0.00 C ATOM 1590 O ARG B 50 8.949 1.071 5.580 1.00 0.00 O ATOM 1591 CB ARG B 50 10.391 -1.550 4.151 1.00 0.00 C ATOM 1592 CG ARG B 50 11.330 -2.628 4.700 1.00 0.00 C ATOM 1593 CD ARG B 50 12.489 -1.928 5.400 1.00 0.00 C ATOM 1594 NE ARG B 50 13.237 -2.843 6.267 1.00 0.00 N ATOM 1595 CZ ARG B 50 14.354 -2.512 6.936 1.00 0.00 C ATOM 1596 NH1 ARG B 50 14.913 -1.301 6.791 1.00 0.00 N ATOM 1597 NH2 ARG B 50 14.918 -3.404 7.762 1.00 0.00 N ATOM 0 H ARG B 50 8.465 -3.048 4.600 1.00 0.00 H new ATOM 0 HA ARG B 50 9.871 -1.106 6.145 1.00 0.00 H new ATOM 0 HB2 ARG B 50 9.919 -1.893 3.230 1.00 0.00 H new ATOM 0 HB3 ARG B 50 10.952 -0.649 3.905 1.00 0.00 H new ATOM 0 HG2 ARG B 50 10.800 -3.277 5.397 1.00 0.00 H new ATOM 0 HG3 ARG B 50 11.698 -3.261 3.892 1.00 0.00 H new ATOM 0 HD2 ARG B 50 13.161 -1.504 4.654 1.00 0.00 H new ATOM 0 HD3 ARG B 50 12.107 -1.097 5.993 1.00 0.00 H new ATOM 0 HE ARG B 50 12.886 -3.795 6.369 1.00 0.00 H new ATOM 0 HH11 ARG B 50 14.490 -0.616 6.165 1.00 0.00 H new ATOM 0 HH12 ARG B 50 15.761 -1.066 7.306 1.00 0.00 H new ATOM 0 HH21 ARG B 50 14.499 -4.327 7.879 1.00 0.00 H new ATOM 0 HH22 ARG B 50 15.766 -3.160 8.273 1.00 0.00 H new ATOM 1611 N LEU B 51 7.569 0.052 4.118 1.00 0.00 N ATOM 1612 CA LEU B 51 6.683 1.146 3.892 1.00 0.00 C ATOM 1613 C LEU B 51 6.165 1.620 5.246 1.00 0.00 C ATOM 1614 O LEU B 51 6.331 2.788 5.569 1.00 0.00 O ATOM 1615 CB LEU B 51 5.583 0.571 2.999 1.00 0.00 C ATOM 1616 CG LEU B 51 5.798 0.930 1.530 1.00 0.00 C ATOM 1617 CD1 LEU B 51 7.104 0.419 0.917 1.00 0.00 C ATOM 1618 CD2 LEU B 51 4.545 0.629 0.681 1.00 0.00 C ATOM 0 H LEU B 51 7.345 -0.764 3.548 1.00 0.00 H new ATOM 0 HA LEU B 51 7.138 2.012 3.411 1.00 0.00 H new ATOM 0 HB2 LEU B 51 5.556 -0.513 3.108 1.00 0.00 H new ATOM 0 HB3 LEU B 51 4.614 0.948 3.327 1.00 0.00 H new ATOM 0 HG LEU B 51 5.939 2.011 1.514 1.00 0.00 H new ATOM 0 HD11 LEU B 51 7.161 0.726 -0.127 1.00 0.00 H new ATOM 0 HD12 LEU B 51 7.950 0.835 1.464 1.00 0.00 H new ATOM 0 HD13 LEU B 51 7.133 -0.669 0.977 1.00 0.00 H new ATOM 0 HD21 LEU B 51 4.736 0.897 -0.358 1.00 0.00 H new ATOM 0 HD22 LEU B 51 4.310 -0.433 0.744 1.00 0.00 H new ATOM 0 HD23 LEU B 51 3.703 1.210 1.057 1.00 0.00 H new ATOM 1630 N ILE B 52 5.613 0.714 6.064 1.00 0.00 N ATOM 1631 CA ILE B 52 5.110 1.051 7.386 1.00 0.00 C ATOM 1632 C ILE B 52 6.212 1.623 8.281 1.00 0.00 C ATOM 1633 O ILE B 52 5.979 2.612 8.975 1.00 0.00 O ATOM 1634 CB ILE B 52 4.385 -0.152 8.015 1.00 0.00 C ATOM 1635 CG1 ILE B 52 3.142 -0.505 7.180 1.00 0.00 C ATOM 1636 CG2 ILE B 52 3.951 0.177 9.450 1.00 0.00 C ATOM 1637 CD1 ILE B 52 2.649 -1.932 7.404 1.00 0.00 C ATOM 0 H ILE B 52 5.506 -0.271 5.820 1.00 0.00 H new ATOM 0 HA ILE B 52 4.371 1.846 7.281 1.00 0.00 H new ATOM 0 HB ILE B 52 5.070 -1.000 8.033 1.00 0.00 H new ATOM 0 HG12 ILE B 52 2.340 0.192 7.423 1.00 0.00 H new ATOM 0 HG13 ILE B 52 3.372 -0.369 6.123 1.00 0.00 H new ATOM 0 HG21 ILE B 52 3.440 -0.683 9.882 1.00 0.00 H new ATOM 0 HG22 ILE B 52 4.829 0.416 10.050 1.00 0.00 H new ATOM 0 HG23 ILE B 52 3.276 1.032 9.439 1.00 0.00 H new ATOM 0 HD11 ILE B 52 1.771 -2.115 6.785 1.00 0.00 H new ATOM 0 HD12 ILE B 52 3.436 -2.636 7.133 1.00 0.00 H new ATOM 0 HD13 ILE B 52 2.388 -2.066 8.454 1.00 0.00 H new ATOM 1649 N LYS B 53 7.407 1.021 8.249 1.00 0.00 N ATOM 1650 CA LYS B 53 8.555 1.467 9.024 1.00 0.00 C ATOM 1651 C LYS B 53 8.949 2.901 8.644 1.00 0.00 C ATOM 1652 O LYS B 53 9.319 3.684 9.516 1.00 0.00 O ATOM 1653 CB LYS B 53 9.718 0.487 8.808 1.00 0.00 C ATOM 1654 CG LYS B 53 10.899 0.750 9.749 1.00 0.00 C ATOM 1655 CD LYS B 53 12.010 -0.275 9.490 1.00 0.00 C ATOM 1656 CE LYS B 53 13.189 -0.040 10.439 1.00 0.00 C ATOM 1657 NZ LYS B 53 14.264 -1.019 10.210 1.00 0.00 N ATOM 0 H LYS B 53 7.599 0.200 7.674 1.00 0.00 H new ATOM 0 HA LYS B 53 8.296 1.479 10.083 1.00 0.00 H new ATOM 0 HB2 LYS B 53 9.361 -0.532 8.957 1.00 0.00 H new ATOM 0 HB3 LYS B 53 10.060 0.558 7.775 1.00 0.00 H new ATOM 0 HG2 LYS B 53 11.280 1.759 9.595 1.00 0.00 H new ATOM 0 HG3 LYS B 53 10.570 0.688 10.786 1.00 0.00 H new ATOM 0 HD2 LYS B 53 11.621 -1.284 9.627 1.00 0.00 H new ATOM 0 HD3 LYS B 53 12.347 -0.201 8.456 1.00 0.00 H new ATOM 0 HE2 LYS B 53 13.577 0.969 10.297 1.00 0.00 H new ATOM 0 HE3 LYS B 53 12.846 -0.108 11.472 1.00 0.00 H new ATOM 0 HZ1 LYS B 53 14.969 -0.945 10.971 1.00 0.00 H new ATOM 0 HZ2 LYS B 53 13.863 -1.979 10.201 1.00 0.00 H new ATOM 0 HZ3 LYS B 53 14.720 -0.826 9.295 1.00 0.00 H new ATOM 1671 N LYS B 54 8.846 3.240 7.350 1.00 0.00 N ATOM 1672 CA LYS B 54 9.196 4.543 6.799 1.00 0.00 C ATOM 1673 C LYS B 54 8.005 5.509 6.698 1.00 0.00 C ATOM 1674 O LYS B 54 8.220 6.689 6.425 1.00 0.00 O ATOM 1675 CB LYS B 54 9.918 4.347 5.460 1.00 0.00 C ATOM 1676 CG LYS B 54 11.258 3.639 5.710 1.00 0.00 C ATOM 1677 CD LYS B 54 12.085 3.504 4.428 1.00 0.00 C ATOM 1678 CE LYS B 54 13.491 2.983 4.745 1.00 0.00 C ATOM 1679 NZ LYS B 54 13.465 1.604 5.264 1.00 0.00 N ATOM 0 H LYS B 54 8.505 2.589 6.642 1.00 0.00 H new ATOM 0 HA LYS B 54 9.874 5.033 7.497 1.00 0.00 H new ATOM 0 HB2 LYS B 54 9.301 3.756 4.783 1.00 0.00 H new ATOM 0 HB3 LYS B 54 10.086 5.311 4.979 1.00 0.00 H new ATOM 0 HG2 LYS B 54 11.829 4.196 6.453 1.00 0.00 H new ATOM 0 HG3 LYS B 54 11.073 2.649 6.127 1.00 0.00 H new ATOM 0 HD2 LYS B 54 11.587 2.824 3.737 1.00 0.00 H new ATOM 0 HD3 LYS B 54 12.153 4.471 3.930 1.00 0.00 H new ATOM 0 HE2 LYS B 54 14.103 3.020 3.844 1.00 0.00 H new ATOM 0 HE3 LYS B 54 13.963 3.637 5.478 1.00 0.00 H new ATOM 0 HZ1 LYS B 54 14.439 1.266 5.401 1.00 0.00 H new ATOM 0 HZ2 LYS B 54 12.960 1.585 6.173 1.00 0.00 H new ATOM 0 HZ3 LYS B 54 12.977 0.986 4.584 1.00 0.00 H new ATOM 1693 N GLY B 55 6.770 5.036 6.924 1.00 0.00 N ATOM 1694 CA GLY B 55 5.567 5.859 6.934 1.00 0.00 C ATOM 1695 C GLY B 55 4.630 5.762 5.724 1.00 0.00 C ATOM 1696 O GLY B 55 3.625 6.471 5.734 1.00 0.00 O ATOM 0 H GLY B 55 6.584 4.050 7.108 1.00 0.00 H new ATOM 0 HA2 GLY B 55 4.993 5.604 7.825 1.00 0.00 H new ATOM 0 HA3 GLY B 55 5.873 6.900 7.039 1.00 0.00 H new ATOM 1700 N ALA B 56 4.897 4.939 4.694 1.00 0.00 N ATOM 1701 CA ALA B 56 3.982 4.821 3.563 1.00 0.00 C ATOM 1702 C ALA B 56 2.579 4.358 3.978 1.00 0.00 C ATOM 1703 O ALA B 56 1.589 4.975 3.599 1.00 0.00 O ATOM 1704 CB ALA B 56 4.555 3.784 2.601 1.00 0.00 C ATOM 0 H ALA B 56 5.731 4.355 4.628 1.00 0.00 H new ATOM 0 HA ALA B 56 3.886 5.807 3.109 1.00 0.00 H new ATOM 0 HB1 ALA B 56 3.890 3.675 1.744 1.00 0.00 H new ATOM 0 HB2 ALA B 56 5.537 4.109 2.258 1.00 0.00 H new ATOM 0 HB3 ALA B 56 4.648 2.826 3.112 1.00 0.00 H new ATOM 1710 N LEU B 57 2.515 3.259 4.738 1.00 0.00 N ATOM 1711 CA LEU B 57 1.322 2.565 5.215 1.00 0.00 C ATOM 1712 C LEU B 57 1.338 2.489 6.748 1.00 0.00 C ATOM 1713 O LEU B 57 2.331 2.853 7.372 1.00 0.00 O ATOM 1714 CB LEU B 57 1.288 1.163 4.583 1.00 0.00 C ATOM 1715 CG LEU B 57 0.554 1.048 3.231 1.00 0.00 C ATOM 1716 CD1 LEU B 57 0.939 2.085 2.164 1.00 0.00 C ATOM 1717 CD2 LEU B 57 0.834 -0.354 2.681 1.00 0.00 C ATOM 0 H LEU B 57 3.366 2.798 5.059 1.00 0.00 H new ATOM 0 HA LEU B 57 0.423 3.107 4.923 1.00 0.00 H new ATOM 0 HB2 LEU B 57 2.314 0.823 4.447 1.00 0.00 H new ATOM 0 HB3 LEU B 57 0.817 0.479 5.289 1.00 0.00 H new ATOM 0 HG LEU B 57 -0.499 1.240 3.436 1.00 0.00 H new ATOM 0 HD11 LEU B 57 0.360 1.907 1.258 1.00 0.00 H new ATOM 0 HD12 LEU B 57 0.728 3.087 2.538 1.00 0.00 H new ATOM 0 HD13 LEU B 57 2.002 1.998 1.939 1.00 0.00 H new ATOM 0 HD21 LEU B 57 0.331 -0.476 1.722 1.00 0.00 H new ATOM 0 HD22 LEU B 57 1.908 -0.484 2.546 1.00 0.00 H new ATOM 0 HD23 LEU B 57 0.463 -1.101 3.383 1.00 0.00 H new ATOM 1729 N ASN B 58 0.208 2.128 7.373 1.00 0.00 N ATOM 1730 CA ASN B 58 0.102 1.972 8.819 1.00 0.00 C ATOM 1731 C ASN B 58 -0.764 0.764 9.182 1.00 0.00 C ATOM 1732 O ASN B 58 -1.902 0.698 8.728 1.00 0.00 O ATOM 1733 CB ASN B 58 -0.508 3.253 9.389 1.00 0.00 C ATOM 1734 CG ASN B 58 -0.531 3.236 10.916 1.00 0.00 C ATOM 1735 OD1 ASN B 58 -1.579 3.013 11.520 1.00 0.00 O ATOM 1736 ND2 ASN B 58 0.626 3.469 11.542 1.00 0.00 N ATOM 0 H ASN B 58 -0.663 1.936 6.878 1.00 0.00 H new ATOM 0 HA ASN B 58 1.092 1.800 9.242 1.00 0.00 H new ATOM 0 HB2 ASN B 58 0.064 4.114 9.043 1.00 0.00 H new ATOM 0 HB3 ASN B 58 -1.523 3.372 9.011 1.00 0.00 H new ATOM 0 HD21 ASN B 58 0.664 3.466 12.561 1.00 0.00 H new ATOM 0 HD22 ASN B 58 1.471 3.649 11.001 1.00 0.00 H new ATOM 1743 N HIS B 59 -0.281 -0.150 10.044 1.00 0.00 N ATOM 1744 CA HIS B 59 -1.057 -1.311 10.460 1.00 0.00 C ATOM 1745 C HIS B 59 -1.822 -1.045 11.757 1.00 0.00 C ATOM 1746 O HIS B 59 -1.387 -0.248 12.589 1.00 0.00 O ATOM 1747 CB HIS B 59 -0.135 -2.522 10.624 1.00 0.00 C ATOM 1748 CG HIS B 59 1.222 -2.309 11.248 1.00 0.00 C ATOM 1749 ND1 HIS B 59 1.435 -1.409 12.293 1.00 0.00 N ATOM 1750 CD2 HIS B 59 2.401 -2.950 10.967 1.00 0.00 C ATOM 1751 CE1 HIS B 59 2.732 -1.530 12.587 1.00 0.00 C ATOM 1752 NE2 HIS B 59 3.355 -2.445 11.826 1.00 0.00 N ATOM 0 H HIS B 59 0.648 -0.098 10.462 1.00 0.00 H new ATOM 0 HA HIS B 59 -1.793 -1.519 9.683 1.00 0.00 H new ATOM 0 HB2 HIS B 59 -0.664 -3.263 11.223 1.00 0.00 H new ATOM 0 HB3 HIS B 59 0.018 -2.959 9.637 1.00 0.00 H new ATOM 0 HD1 HIS B 59 0.751 -0.795 12.735 1.00 0.00 H new ATOM 0 HD2 HIS B 59 2.554 -3.709 10.214 1.00 0.00 H new ATOM 0 HE1 HIS B 59 3.227 -0.954 13.355 1.00 0.00 H new ATOM 1760 N HIS B 60 -2.979 -1.712 11.904 1.00 0.00 N ATOM 1761 CA HIS B 60 -3.852 -1.583 13.063 1.00 0.00 C ATOM 1762 C HIS B 60 -4.531 -2.916 13.359 1.00 0.00 C ATOM 1763 O HIS B 60 -5.223 -3.447 12.496 1.00 0.00 O ATOM 1764 CB HIS B 60 -4.904 -0.496 12.796 1.00 0.00 C ATOM 1765 CG HIS B 60 -6.046 -0.510 13.785 1.00 0.00 C ATOM 1766 ND1 HIS B 60 -5.828 -0.458 15.163 1.00 0.00 N ATOM 1767 CD2 HIS B 60 -7.389 -0.651 13.556 1.00 0.00 C ATOM 1768 CE1 HIS B 60 -7.043 -0.579 15.705 1.00 0.00 C ATOM 1769 NE2 HIS B 60 -8.013 -0.698 14.785 1.00 0.00 N ATOM 0 H HIS B 60 -3.332 -2.365 11.204 1.00 0.00 H new ATOM 0 HA HIS B 60 -3.258 -1.297 13.931 1.00 0.00 H new ATOM 0 HB2 HIS B 60 -4.421 0.481 12.824 1.00 0.00 H new ATOM 0 HB3 HIS B 60 -5.303 -0.626 11.790 1.00 0.00 H new ATOM 0 HD2 HIS B 60 -7.870 -0.714 12.591 1.00 0.00 H new ATOM 0 HE1 HIS B 60 -7.225 -0.581 16.770 1.00 0.00 H new ATOM 0 HE2 HIS B 60 -9.012 -0.802 14.960 1.00 0.00 H new ATOM 1777 N LYS B 61 -4.409 -3.397 14.605 1.00 0.00 N ATOM 1778 CA LYS B 61 -5.001 -4.649 15.047 1.00 0.00 C ATOM 1779 C LYS B 61 -6.454 -4.365 15.429 1.00 0.00 C ATOM 1780 O LYS B 61 -6.762 -3.979 16.556 1.00 0.00 O ATOM 1781 CB LYS B 61 -4.177 -5.205 16.217 1.00 0.00 C ATOM 1782 CG LYS B 61 -4.641 -6.608 16.623 1.00 0.00 C ATOM 1783 CD LYS B 61 -3.787 -7.124 17.785 1.00 0.00 C ATOM 1784 CE LYS B 61 -4.196 -8.548 18.170 1.00 0.00 C ATOM 1785 NZ LYS B 61 -3.384 -9.050 19.291 1.00 0.00 N ATOM 0 H LYS B 61 -3.888 -2.914 15.337 1.00 0.00 H new ATOM 0 HA LYS B 61 -4.994 -5.407 14.264 1.00 0.00 H new ATOM 0 HB2 LYS B 61 -3.124 -5.237 15.937 1.00 0.00 H new ATOM 0 HB3 LYS B 61 -4.260 -4.533 17.071 1.00 0.00 H new ATOM 0 HG2 LYS B 61 -5.691 -6.583 16.915 1.00 0.00 H new ATOM 0 HG3 LYS B 61 -4.563 -7.286 15.773 1.00 0.00 H new ATOM 0 HD2 LYS B 61 -2.734 -7.107 17.504 1.00 0.00 H new ATOM 0 HD3 LYS B 61 -3.898 -6.464 18.645 1.00 0.00 H new ATOM 0 HE2 LYS B 61 -5.251 -8.565 18.445 1.00 0.00 H new ATOM 0 HE3 LYS B 61 -4.081 -9.208 17.310 1.00 0.00 H new ATOM 0 HZ1 LYS B 61 -3.683 -10.017 19.531 1.00 0.00 H new ATOM 0 HZ2 LYS B 61 -2.381 -9.056 19.018 1.00 0.00 H new ATOM 0 HZ3 LYS B 61 -3.514 -8.433 20.118 1.00 0.00 H new ATOM 1799 N GLU B 62 -7.333 -4.566 14.440 1.00 0.00 N ATOM 1800 CA GLU B 62 -8.769 -4.364 14.500 1.00 0.00 C ATOM 1801 C GLU B 62 -9.459 -5.623 15.023 1.00 0.00 C ATOM 1802 O GLU B 62 -9.063 -6.727 14.655 1.00 0.00 O ATOM 1803 CB GLU B 62 -9.277 -3.983 13.102 1.00 0.00 C ATOM 1804 CG GLU B 62 -10.766 -3.616 13.075 1.00 0.00 C ATOM 1805 CD GLU B 62 -11.083 -2.418 13.968 1.00 0.00 C ATOM 1806 OE1 GLU B 62 -10.792 -1.285 13.526 1.00 0.00 O ATOM 1807 OE2 GLU B 62 -11.606 -2.655 15.079 1.00 0.00 O ATOM 0 H GLU B 62 -7.032 -4.895 13.523 1.00 0.00 H new ATOM 0 HA GLU B 62 -9.003 -3.554 15.191 1.00 0.00 H new ATOM 0 HB2 GLU B 62 -8.696 -3.140 12.729 1.00 0.00 H new ATOM 0 HB3 GLU B 62 -9.103 -4.816 12.421 1.00 0.00 H new ATOM 0 HG2 GLU B 62 -11.064 -3.392 12.051 1.00 0.00 H new ATOM 0 HG3 GLU B 62 -11.355 -4.474 13.399 1.00 0.00 H new ATOM 1814 N GLY B 63 -10.451 -5.425 15.906 1.00 0.00 N ATOM 1815 CA GLY B 63 -11.301 -6.413 16.570 1.00 0.00 C ATOM 1816 C GLY B 63 -11.101 -7.866 16.137 1.00 0.00 C ATOM 1817 O GLY B 63 -10.610 -8.672 16.927 1.00 0.00 O ATOM 0 H GLY B 63 -10.697 -4.479 16.197 1.00 0.00 H new ATOM 0 HA2 GLY B 63 -11.129 -6.348 17.644 1.00 0.00 H new ATOM 0 HA3 GLY B 63 -12.343 -6.143 16.396 1.00 0.00 H new ATOM 1821 N ARG B 64 -11.481 -8.199 14.894 1.00 0.00 N ATOM 1822 CA ARG B 64 -11.351 -9.551 14.367 1.00 0.00 C ATOM 1823 C ARG B 64 -9.877 -9.873 14.088 1.00 0.00 C ATOM 1824 O ARG B 64 -9.250 -10.550 14.901 1.00 0.00 O ATOM 1825 CB ARG B 64 -12.285 -9.762 13.169 1.00 0.00 C ATOM 1826 CG ARG B 64 -12.430 -11.263 12.892 1.00 0.00 C ATOM 1827 CD ARG B 64 -13.560 -11.538 11.903 1.00 0.00 C ATOM 1828 NE ARG B 64 -13.797 -12.981 11.753 1.00 0.00 N ATOM 1829 CZ ARG B 64 -13.010 -13.839 11.080 1.00 0.00 C ATOM 1830 NH1 ARG B 64 -11.930 -13.414 10.407 1.00 0.00 N ATOM 1831 NH2 ARG B 64 -13.308 -15.145 11.085 1.00 0.00 N ATOM 0 H ARG B 64 -11.885 -7.535 14.234 1.00 0.00 H new ATOM 0 HA ARG B 64 -11.678 -10.273 15.115 1.00 0.00 H new ATOM 0 HB2 ARG B 64 -13.261 -9.323 13.374 1.00 0.00 H new ATOM 0 HB3 ARG B 64 -11.886 -9.256 12.290 1.00 0.00 H new ATOM 0 HG2 ARG B 64 -11.493 -11.654 12.495 1.00 0.00 H new ATOM 0 HG3 ARG B 64 -12.625 -11.790 13.826 1.00 0.00 H new ATOM 0 HD2 ARG B 64 -14.473 -11.051 12.245 1.00 0.00 H new ATOM 0 HD3 ARG B 64 -13.312 -11.105 10.934 1.00 0.00 H new ATOM 0 HE ARG B 64 -14.631 -13.365 12.198 1.00 0.00 H new ATOM 0 HH11 ARG B 64 -11.692 -12.422 10.399 1.00 0.00 H new ATOM 0 HH12 ARG B 64 -11.347 -14.083 9.903 1.00 0.00 H new ATOM 0 HH21 ARG B 64 -14.125 -15.480 11.596 1.00 0.00 H new ATOM 0 HH22 ARG B 64 -12.718 -15.805 10.578 1.00 0.00 H new ATOM 1845 N VAL B 65 -9.318 -9.400 12.961 1.00 0.00 N ATOM 1846 CA VAL B 65 -7.941 -9.566 12.563 1.00 0.00 C ATOM 1847 C VAL B 65 -7.472 -8.171 12.108 1.00 0.00 C ATOM 1848 O VAL B 65 -8.288 -7.253 12.010 1.00 0.00 O ATOM 1849 CB VAL B 65 -7.823 -10.707 11.537 1.00 0.00 C ATOM 1850 CG1 VAL B 65 -8.293 -12.052 12.103 1.00 0.00 C ATOM 1851 CG2 VAL B 65 -8.570 -10.421 10.221 1.00 0.00 C ATOM 0 H VAL B 65 -9.857 -8.866 12.279 1.00 0.00 H new ATOM 0 HA VAL B 65 -7.274 -9.891 13.362 1.00 0.00 H new ATOM 0 HB VAL B 65 -6.758 -10.768 11.315 1.00 0.00 H new ATOM 0 HG11 VAL B 65 -8.190 -12.824 11.340 1.00 0.00 H new ATOM 0 HG12 VAL B 65 -7.686 -12.314 12.969 1.00 0.00 H new ATOM 0 HG13 VAL B 65 -9.338 -11.975 12.402 1.00 0.00 H new ATOM 0 HG21 VAL B 65 -8.447 -11.265 9.542 1.00 0.00 H new ATOM 0 HG22 VAL B 65 -9.630 -10.274 10.429 1.00 0.00 H new ATOM 0 HG23 VAL B 65 -8.163 -9.521 9.760 1.00 0.00 H new ATOM 1861 N PHE B 66 -6.184 -7.984 11.798 1.00 0.00 N ATOM 1862 CA PHE B 66 -5.638 -6.663 11.496 1.00 0.00 C ATOM 1863 C PHE B 66 -5.887 -6.161 10.097 1.00 0.00 C ATOM 1864 O PHE B 66 -6.141 -6.912 9.159 1.00 0.00 O ATOM 1865 CB PHE B 66 -4.146 -6.517 11.782 1.00 0.00 C ATOM 1866 CG PHE B 66 -3.201 -6.451 10.578 1.00 0.00 C ATOM 1867 CD1 PHE B 66 -3.209 -7.429 9.568 1.00 0.00 C ATOM 1868 CD2 PHE B 66 -2.203 -5.461 10.541 1.00 0.00 C ATOM 1869 CE1 PHE B 66 -2.120 -7.548 8.700 1.00 0.00 C ATOM 1870 CE2 PHE B 66 -1.034 -5.688 9.793 1.00 0.00 C ATOM 1871 CZ PHE B 66 -0.977 -6.770 8.908 1.00 0.00 C ATOM 0 H PHE B 66 -5.499 -8.739 11.751 1.00 0.00 H new ATOM 0 HA PHE B 66 -6.208 -6.045 12.190 1.00 0.00 H new ATOM 0 HB2 PHE B 66 -4.003 -5.612 12.372 1.00 0.00 H new ATOM 0 HB3 PHE B 66 -3.839 -7.356 12.406 1.00 0.00 H new ATOM 0 HD1 PHE B 66 -4.057 -8.089 9.463 1.00 0.00 H new ATOM 0 HD2 PHE B 66 -2.333 -4.535 11.082 1.00 0.00 H new ATOM 0 HE1 PHE B 66 -2.161 -8.239 7.871 1.00 0.00 H new ATOM 0 HE2 PHE B 66 -0.184 -5.030 9.901 1.00 0.00 H new ATOM 0 HZ PHE B 66 -0.058 -7.002 8.390 1.00 0.00 H new ATOM 1881 N VAL B 67 -5.901 -4.834 10.037 1.00 0.00 N ATOM 1882 CA VAL B 67 -6.084 -4.080 8.838 1.00 0.00 C ATOM 1883 C VAL B 67 -4.893 -3.153 8.621 1.00 0.00 C ATOM 1884 O VAL B 67 -4.527 -2.372 9.497 1.00 0.00 O ATOM 1885 CB VAL B 67 -7.393 -3.299 8.977 1.00 0.00 C ATOM 1886 CG1 VAL B 67 -7.671 -2.461 7.732 1.00 0.00 C ATOM 1887 CG2 VAL B 67 -8.533 -4.299 9.170 1.00 0.00 C ATOM 0 H VAL B 67 -5.779 -4.247 10.863 1.00 0.00 H new ATOM 0 HA VAL B 67 -6.144 -4.732 7.967 1.00 0.00 H new ATOM 0 HB VAL B 67 -7.314 -2.626 9.831 1.00 0.00 H new ATOM 0 HG11 VAL B 67 -8.607 -1.918 7.861 1.00 0.00 H new ATOM 0 HG12 VAL B 67 -6.857 -1.751 7.582 1.00 0.00 H new ATOM 0 HG13 VAL B 67 -7.747 -3.115 6.863 1.00 0.00 H new ATOM 0 HG21 VAL B 67 -9.476 -3.761 9.271 1.00 0.00 H new ATOM 0 HG22 VAL B 67 -8.585 -4.963 8.307 1.00 0.00 H new ATOM 0 HG23 VAL B 67 -8.353 -4.887 10.070 1.00 0.00 H new ATOM 1897 N TYR B 68 -4.402 -3.179 7.382 1.00 0.00 N ATOM 1898 CA TYR B 68 -3.352 -2.296 6.902 1.00 0.00 C ATOM 1899 C TYR B 68 -4.123 -1.152 6.242 1.00 0.00 C ATOM 1900 O TYR B 68 -4.905 -1.368 5.317 1.00 0.00 O ATOM 1901 CB TYR B 68 -2.553 -2.957 5.770 1.00 0.00 C ATOM 1902 CG TYR B 68 -1.615 -4.082 6.134 1.00 0.00 C ATOM 1903 CD1 TYR B 68 -0.438 -3.785 6.843 1.00 0.00 C ATOM 1904 CD2 TYR B 68 -1.727 -5.308 5.453 1.00 0.00 C ATOM 1905 CE1 TYR B 68 0.623 -4.705 6.870 1.00 0.00 C ATOM 1906 CE2 TYR B 68 -0.648 -6.204 5.440 1.00 0.00 C ATOM 1907 CZ TYR B 68 0.532 -5.902 6.141 1.00 0.00 C ATOM 1908 OH TYR B 68 1.562 -6.798 6.172 1.00 0.00 O ATOM 0 H TYR B 68 -4.734 -3.831 6.672 1.00 0.00 H new ATOM 0 HA TYR B 68 -2.673 -2.017 7.708 1.00 0.00 H new ATOM 0 HB2 TYR B 68 -3.264 -3.338 5.037 1.00 0.00 H new ATOM 0 HB3 TYR B 68 -1.969 -2.181 5.275 1.00 0.00 H new ATOM 0 HD1 TYR B 68 -0.349 -2.846 7.369 1.00 0.00 H new ATOM 0 HD2 TYR B 68 -2.644 -5.559 4.940 1.00 0.00 H new ATOM 0 HE1 TYR B 68 1.508 -4.492 7.451 1.00 0.00 H new ATOM 0 HE2 TYR B 68 -0.724 -7.130 4.889 1.00 0.00 H new ATOM 0 HH TYR B 68 1.350 -7.519 6.801 1.00 0.00 H new ATOM 1918 N THR B 69 -3.891 0.065 6.750 1.00 0.00 N ATOM 1919 CA THR B 69 -4.554 1.290 6.336 1.00 0.00 C ATOM 1920 C THR B 69 -3.570 2.242 5.644 1.00 0.00 C ATOM 1921 O THR B 69 -2.513 2.522 6.207 1.00 0.00 O ATOM 1922 CB THR B 69 -5.190 1.983 7.552 1.00 0.00 C ATOM 1923 OG1 THR B 69 -4.213 2.388 8.490 1.00 0.00 O ATOM 1924 CG2 THR B 69 -6.217 1.090 8.257 1.00 0.00 C ATOM 0 H THR B 69 -3.207 0.220 7.490 1.00 0.00 H new ATOM 0 HA THR B 69 -5.335 1.029 5.622 1.00 0.00 H new ATOM 0 HB THR B 69 -5.702 2.862 7.161 1.00 0.00 H new ATOM 0 HG1 THR B 69 -3.489 1.728 8.514 1.00 0.00 H new ATOM 0 HG21 THR B 69 -6.639 1.623 9.109 1.00 0.00 H new ATOM 0 HG22 THR B 69 -7.014 0.832 7.560 1.00 0.00 H new ATOM 0 HG23 THR B 69 -5.730 0.179 8.604 1.00 0.00 H new ATOM 1932 N PRO B 70 -3.895 2.749 4.442 1.00 0.00 N ATOM 1933 CA PRO B 70 -3.069 3.704 3.715 1.00 0.00 C ATOM 1934 C PRO B 70 -2.804 4.965 4.550 1.00 0.00 C ATOM 1935 O PRO B 70 -3.731 5.721 4.840 1.00 0.00 O ATOM 1936 CB PRO B 70 -3.856 4.026 2.436 1.00 0.00 C ATOM 1937 CG PRO B 70 -4.670 2.759 2.195 1.00 0.00 C ATOM 1938 CD PRO B 70 -5.002 2.301 3.610 1.00 0.00 C ATOM 0 HA PRO B 70 -2.084 3.296 3.487 1.00 0.00 H new ATOM 0 HB2 PRO B 70 -4.498 4.897 2.567 1.00 0.00 H new ATOM 0 HB3 PRO B 70 -3.192 4.243 1.599 1.00 0.00 H new ATOM 0 HG2 PRO B 70 -5.569 2.960 1.613 1.00 0.00 H new ATOM 0 HG3 PRO B 70 -4.098 2.008 1.650 1.00 0.00 H new ATOM 0 HD2 PRO B 70 -5.945 2.731 3.949 1.00 0.00 H new ATOM 0 HD3 PRO B 70 -5.111 1.217 3.655 1.00 0.00 H new ATOM 1946 N ASN B 71 -1.542 5.186 4.945 1.00 0.00 N ATOM 1947 CA ASN B 71 -1.117 6.351 5.721 1.00 0.00 C ATOM 1948 C ASN B 71 -1.023 7.610 4.841 1.00 0.00 C ATOM 1949 O ASN B 71 -0.868 8.715 5.357 1.00 0.00 O ATOM 1950 CB ASN B 71 0.224 6.049 6.396 1.00 0.00 C ATOM 1951 CG ASN B 71 0.580 7.059 7.485 1.00 0.00 C ATOM 1952 OD1 ASN B 71 1.455 7.901 7.294 1.00 0.00 O ATOM 1953 ND2 ASN B 71 -0.097 6.973 8.633 1.00 0.00 N ATOM 0 H ASN B 71 -0.777 4.547 4.728 1.00 0.00 H new ATOM 0 HA ASN B 71 -1.865 6.554 6.487 1.00 0.00 H new ATOM 0 HB2 ASN B 71 0.190 5.050 6.831 1.00 0.00 H new ATOM 0 HB3 ASN B 71 1.011 6.042 5.642 1.00 0.00 H new ATOM 0 HD21 ASN B 71 0.105 7.622 9.394 1.00 0.00 H new ATOM 0 HD22 ASN B 71 -0.816 6.258 8.749 1.00 0.00 H new ATOM 1960 N ILE B 72 -1.142 7.430 3.518 1.00 0.00 N ATOM 1961 CA ILE B 72 -1.132 8.449 2.483 1.00 0.00 C ATOM 1962 C ILE B 72 -2.539 8.505 1.879 1.00 0.00 C ATOM 1963 O ILE B 72 -3.265 7.510 1.880 1.00 0.00 O ATOM 1964 CB ILE B 72 -0.056 8.175 1.401 1.00 0.00 C ATOM 1965 CG1 ILE B 72 0.256 6.720 0.990 1.00 0.00 C ATOM 1966 CG2 ILE B 72 1.290 8.779 1.822 1.00 0.00 C ATOM 1967 CD1 ILE B 72 -0.912 5.747 0.837 1.00 0.00 C ATOM 0 H ILE B 72 -1.256 6.496 3.124 1.00 0.00 H new ATOM 0 HA ILE B 72 -0.867 9.413 2.918 1.00 0.00 H new ATOM 0 HB ILE B 72 -0.530 8.633 0.533 1.00 0.00 H new ATOM 0 HG12 ILE B 72 0.791 6.750 0.041 1.00 0.00 H new ATOM 0 HG13 ILE B 72 0.941 6.305 1.729 1.00 0.00 H new ATOM 0 HG21 ILE B 72 2.035 8.578 1.052 1.00 0.00 H new ATOM 0 HG22 ILE B 72 1.181 9.856 1.950 1.00 0.00 H new ATOM 0 HG23 ILE B 72 1.611 8.332 2.763 1.00 0.00 H new ATOM 0 HD11 ILE B 72 -0.534 4.767 0.545 1.00 0.00 H new ATOM 0 HD12 ILE B 72 -1.443 5.663 1.785 1.00 0.00 H new ATOM 0 HD13 ILE B 72 -1.594 6.115 0.071 1.00 0.00 H new