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 58 ASN : amide:sc= -0.191 K(o=-0.38,f=-3.2) USER MOD Set 1.2: B 60 HIS : no HD1:sc= -0.473 K(o=-0.38,f=-3.1!) USER MOD Set 1.3: B 69 THR OG1 : rot 38:sc= 0.288 USER MOD Set 2.1: B 40 SER OG : rot -54:sc= 0.577 USER MOD Set 2.2: B 43 THR OG1 : rot 180:sc= 0.572 USER MOD Set 3.1: B 25 ASN : amide:sc= 0.0909 X(o=0.23,f=-0.017) USER MOD Set 3.2: B 27 ASN : amide:sc= 0.136 X(o=0.23,f=-0.017) USER MOD Set 4.1: B 26 THR OG1 : rot -38:sc= 1.01 USER MOD Set 4.2: B 68 TYR OH : rot 180:sc= 0 USER MOD Set 5.1: B 6 GLN : amide:sc= -0.627 K(o=-0.31,f=-0.93) USER MOD Set 5.2: B 8 SER OG : rot -13:sc= 0.321 USER MOD Single : B 15 MET CE :methyl 170:sc= -0.316 (180deg=-0.584) USER MOD Single : B 16 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0639) USER MOD Single : B 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 21 HIS : no HE2:sc= -0.0206 K(o=0.011,f=-1.5) USER MOD Single : B 22 SER OG : rot 180:sc= 0.104 USER MOD Single : B 23 SER OG : rot 170:sc= 0 USER MOD Single : B 31 LYS NZ :NH3+ 159:sc= 0.265 (180deg=0.139) USER MOD Single : B 34 SER OG : rot 180:sc= 0 USER MOD Single : B 35 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0674) USER MOD Single : B 36 THR OG1 : rot -80:sc= 0.553 USER MOD Single : B 37 SER OG : rot -151:sc= 1.71 USER MOD Single : B 38 THR OG1 : rot 180:sc= 0 USER MOD Single : B 42 LYS NZ :NH3+ 166:sc=-0.00834 (180deg=-0.165) USER MOD Single : B 45 GLN : amide:sc= -0.0219 K(o=-0.022,f=-1.7) USER MOD Single : B 46 THR OG1 : rot 180:sc= 0 USER MOD Single : B 47 MET CE :methyl 160:sc= -0.201 (180deg=-0.613) USER MOD Single : B 53 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0518) USER MOD Single : B 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 59 HIS : no HE2:sc= -2.26! K(o=-2.3!,f=-2.8) USER MOD Single : B 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 71 ASN : amide:sc=-0.00112 X(o=-0.0011,f=-0.0011) USER MOD ----------------------------------------------------------------- ATOM 851 N PRO B 5 5.903 8.670 0.397 1.00 0.00 N ATOM 852 CA PRO B 5 6.585 7.414 0.128 1.00 0.00 C ATOM 853 C PRO B 5 7.059 7.381 -1.324 1.00 0.00 C ATOM 854 O PRO B 5 6.313 7.756 -2.228 1.00 0.00 O ATOM 855 CB PRO B 5 5.552 6.322 0.424 1.00 0.00 C ATOM 856 CG PRO B 5 4.229 7.005 0.094 1.00 0.00 C ATOM 857 CD PRO B 5 4.473 8.450 0.531 1.00 0.00 C ATOM 0 HA PRO B 5 7.476 7.276 0.740 1.00 0.00 H new ATOM 0 HB2 PRO B 5 5.713 5.436 -0.190 1.00 0.00 H new ATOM 0 HB3 PRO B 5 5.592 6.000 1.465 1.00 0.00 H new ATOM 0 HG2 PRO B 5 3.994 6.938 -0.968 1.00 0.00 H new ATOM 0 HG3 PRO B 5 3.396 6.555 0.634 1.00 0.00 H new ATOM 0 HD2 PRO B 5 3.911 9.146 -0.091 1.00 0.00 H new ATOM 0 HD3 PRO B 5 4.148 8.607 1.560 1.00 0.00 H new ATOM 865 N GLN B 6 8.309 6.951 -1.540 1.00 0.00 N ATOM 866 CA GLN B 6 8.896 6.844 -2.866 1.00 0.00 C ATOM 867 C GLN B 6 8.233 5.656 -3.557 1.00 0.00 C ATOM 868 O GLN B 6 8.571 4.509 -3.274 1.00 0.00 O ATOM 869 CB GLN B 6 10.424 6.720 -2.740 1.00 0.00 C ATOM 870 CG GLN B 6 11.157 6.688 -4.090 1.00 0.00 C ATOM 871 CD GLN B 6 11.057 5.339 -4.801 1.00 0.00 C ATOM 872 OE1 GLN B 6 10.466 5.240 -5.875 1.00 0.00 O ATOM 873 NE2 GLN B 6 11.637 4.295 -4.203 1.00 0.00 N ATOM 0 H GLN B 6 8.939 6.668 -0.789 1.00 0.00 H new ATOM 0 HA GLN B 6 8.721 7.730 -3.476 1.00 0.00 H new ATOM 0 HB2 GLN B 6 10.800 7.558 -2.153 1.00 0.00 H new ATOM 0 HB3 GLN B 6 10.661 5.811 -2.187 1.00 0.00 H new ATOM 0 HG2 GLN B 6 10.746 7.463 -4.737 1.00 0.00 H new ATOM 0 HG3 GLN B 6 12.208 6.930 -3.931 1.00 0.00 H new ATOM 0 HE21 GLN B 6 12.118 4.420 -3.312 1.00 0.00 H new ATOM 0 HE22 GLN B 6 11.599 3.373 -4.637 1.00 0.00 H new ATOM 882 N ILE B 7 7.288 5.937 -4.463 1.00 0.00 N ATOM 883 CA ILE B 7 6.539 4.905 -5.160 1.00 0.00 C ATOM 884 C ILE B 7 7.371 4.363 -6.317 1.00 0.00 C ATOM 885 O ILE B 7 7.704 5.091 -7.252 1.00 0.00 O ATOM 886 CB ILE B 7 5.173 5.442 -5.628 1.00 0.00 C ATOM 887 CG1 ILE B 7 4.359 5.973 -4.423 1.00 0.00 C ATOM 888 CG2 ILE B 7 4.427 4.360 -6.431 1.00 0.00 C ATOM 889 CD1 ILE B 7 2.943 5.405 -4.265 1.00 0.00 C ATOM 0 H ILE B 7 7.028 6.887 -4.727 1.00 0.00 H new ATOM 0 HA ILE B 7 6.335 4.081 -4.477 1.00 0.00 H new ATOM 0 HB ILE B 7 5.321 6.289 -6.298 1.00 0.00 H new ATOM 0 HG12 ILE B 7 4.918 5.762 -3.511 1.00 0.00 H new ATOM 0 HG13 ILE B 7 4.287 7.057 -4.508 1.00 0.00 H new ATOM 0 HG21 ILE B 7 3.463 4.749 -6.757 1.00 0.00 H new ATOM 0 HG22 ILE B 7 5.019 4.080 -7.302 1.00 0.00 H new ATOM 0 HG23 ILE B 7 4.271 3.483 -5.802 1.00 0.00 H new ATOM 0 HD11 ILE B 7 2.469 5.848 -3.389 1.00 0.00 H new ATOM 0 HD12 ILE B 7 2.356 5.639 -5.153 1.00 0.00 H new ATOM 0 HD13 ILE B 7 2.997 4.323 -4.140 1.00 0.00 H new ATOM 901 N SER B 8 7.678 3.065 -6.232 1.00 0.00 N ATOM 902 CA SER B 8 8.415 2.305 -7.226 1.00 0.00 C ATOM 903 C SER B 8 7.412 1.512 -8.064 1.00 0.00 C ATOM 904 O SER B 8 6.204 1.586 -7.833 1.00 0.00 O ATOM 905 CB SER B 8 9.396 1.366 -6.516 1.00 0.00 C ATOM 906 OG SER B 8 10.246 2.099 -5.660 1.00 0.00 O ATOM 0 H SER B 8 7.404 2.497 -5.430 1.00 0.00 H new ATOM 0 HA SER B 8 8.985 2.967 -7.879 1.00 0.00 H new ATOM 0 HB2 SER B 8 8.845 0.621 -5.942 1.00 0.00 H new ATOM 0 HB3 SER B 8 9.990 0.825 -7.253 1.00 0.00 H new ATOM 0 HG SER B 8 10.171 3.055 -5.864 1.00 0.00 H new ATOM 912 N ASP B 9 7.914 0.746 -9.039 1.00 0.00 N ATOM 913 CA ASP B 9 7.081 -0.083 -9.897 1.00 0.00 C ATOM 914 C ASP B 9 6.314 -1.093 -9.044 1.00 0.00 C ATOM 915 O ASP B 9 5.090 -1.160 -9.123 1.00 0.00 O ATOM 916 CB ASP B 9 7.962 -0.780 -10.944 1.00 0.00 C ATOM 917 CG ASP B 9 7.161 -1.726 -11.839 1.00 0.00 C ATOM 918 OD1 ASP B 9 6.146 -1.261 -12.402 1.00 0.00 O ATOM 919 OD2 ASP B 9 7.578 -2.900 -11.944 1.00 0.00 O ATOM 0 H ASP B 9 8.910 0.688 -9.250 1.00 0.00 H new ATOM 0 HA ASP B 9 6.352 0.533 -10.424 1.00 0.00 H new ATOM 0 HB2 ASP B 9 8.453 -0.028 -11.561 1.00 0.00 H new ATOM 0 HB3 ASP B 9 8.749 -1.340 -10.439 1.00 0.00 H new ATOM 924 N ALA B 10 7.039 -1.846 -8.208 1.00 0.00 N ATOM 925 CA ALA B 10 6.479 -2.853 -7.322 1.00 0.00 C ATOM 926 C ALA B 10 5.561 -2.270 -6.244 1.00 0.00 C ATOM 927 O ALA B 10 4.723 -3.002 -5.719 1.00 0.00 O ATOM 928 CB ALA B 10 7.620 -3.658 -6.691 1.00 0.00 C ATOM 0 H ALA B 10 8.053 -1.764 -8.133 1.00 0.00 H new ATOM 0 HA ALA B 10 5.848 -3.506 -7.925 1.00 0.00 H new ATOM 0 HB1 ALA B 10 7.206 -4.415 -6.025 1.00 0.00 H new ATOM 0 HB2 ALA B 10 8.200 -4.143 -7.476 1.00 0.00 H new ATOM 0 HB3 ALA B 10 8.266 -2.989 -6.123 1.00 0.00 H new ATOM 934 N GLU B 11 5.697 -0.978 -5.909 1.00 0.00 N ATOM 935 CA GLU B 11 4.873 -0.354 -4.883 1.00 0.00 C ATOM 936 C GLU B 11 3.457 -0.145 -5.405 1.00 0.00 C ATOM 937 O GLU B 11 2.497 -0.604 -4.793 1.00 0.00 O ATOM 938 CB GLU B 11 5.475 0.980 -4.411 1.00 0.00 C ATOM 939 CG GLU B 11 5.045 1.248 -2.965 1.00 0.00 C ATOM 940 CD GLU B 11 5.626 2.545 -2.406 1.00 0.00 C ATOM 941 OE1 GLU B 11 6.855 2.569 -2.187 1.00 0.00 O ATOM 942 OE2 GLU B 11 4.832 3.487 -2.195 1.00 0.00 O ATOM 0 H GLU B 11 6.375 -0.350 -6.340 1.00 0.00 H new ATOM 0 HA GLU B 11 4.841 -1.023 -4.023 1.00 0.00 H new ATOM 0 HB2 GLU B 11 6.562 0.945 -4.478 1.00 0.00 H new ATOM 0 HB3 GLU B 11 5.141 1.791 -5.058 1.00 0.00 H new ATOM 0 HG2 GLU B 11 3.957 1.292 -2.916 1.00 0.00 H new ATOM 0 HG3 GLU B 11 5.359 0.414 -2.337 1.00 0.00 H new ATOM 949 N LEU B 12 3.334 0.540 -6.546 1.00 0.00 N ATOM 950 CA LEU B 12 2.054 0.840 -7.161 1.00 0.00 C ATOM 951 C LEU B 12 1.244 -0.429 -7.436 1.00 0.00 C ATOM 952 O LEU B 12 0.024 -0.421 -7.282 1.00 0.00 O ATOM 953 CB LEU B 12 2.281 1.674 -8.416 1.00 0.00 C ATOM 954 CG LEU B 12 0.975 2.219 -9.013 1.00 0.00 C ATOM 955 CD1 LEU B 12 0.058 2.915 -7.997 1.00 0.00 C ATOM 956 CD2 LEU B 12 1.382 3.255 -10.051 1.00 0.00 C ATOM 0 H LEU B 12 4.133 0.902 -7.067 1.00 0.00 H new ATOM 0 HA LEU B 12 1.453 1.426 -6.466 1.00 0.00 H new ATOM 0 HB2 LEU B 12 2.942 2.507 -8.178 1.00 0.00 H new ATOM 0 HB3 LEU B 12 2.791 1.066 -9.163 1.00 0.00 H new ATOM 0 HG LEU B 12 0.412 1.375 -9.412 1.00 0.00 H new ATOM 0 HD11 LEU B 12 -0.841 3.270 -8.501 1.00 0.00 H new ATOM 0 HD12 LEU B 12 -0.220 2.209 -7.214 1.00 0.00 H new ATOM 0 HD13 LEU B 12 0.583 3.761 -7.553 1.00 0.00 H new ATOM 0 HD21 LEU B 12 0.490 3.679 -10.511 1.00 0.00 H new ATOM 0 HD22 LEU B 12 1.953 4.048 -9.569 1.00 0.00 H new ATOM 0 HD23 LEU B 12 1.995 2.781 -10.817 1.00 0.00 H new ATOM 968 N GLU B 13 1.923 -1.518 -7.825 1.00 0.00 N ATOM 969 CA GLU B 13 1.302 -2.804 -8.082 1.00 0.00 C ATOM 970 C GLU B 13 0.528 -3.290 -6.857 1.00 0.00 C ATOM 971 O GLU B 13 -0.622 -3.702 -7.003 1.00 0.00 O ATOM 972 CB GLU B 13 2.365 -3.817 -8.499 1.00 0.00 C ATOM 973 CG GLU B 13 2.876 -3.530 -9.914 1.00 0.00 C ATOM 974 CD GLU B 13 4.022 -4.464 -10.297 1.00 0.00 C ATOM 975 OE1 GLU B 13 3.756 -5.683 -10.392 1.00 0.00 O ATOM 976 OE2 GLU B 13 5.143 -3.947 -10.489 1.00 0.00 O ATOM 0 H GLU B 13 2.933 -1.519 -7.969 1.00 0.00 H new ATOM 0 HA GLU B 13 0.587 -2.694 -8.898 1.00 0.00 H new ATOM 0 HB2 GLU B 13 3.197 -3.786 -7.795 1.00 0.00 H new ATOM 0 HB3 GLU B 13 1.949 -4.824 -8.457 1.00 0.00 H new ATOM 0 HG2 GLU B 13 2.059 -3.644 -10.627 1.00 0.00 H new ATOM 0 HG3 GLU B 13 3.212 -2.495 -9.977 1.00 0.00 H new ATOM 983 N VAL B 14 1.133 -3.236 -5.659 1.00 0.00 N ATOM 984 CA VAL B 14 0.449 -3.661 -4.452 1.00 0.00 C ATOM 985 C VAL B 14 -0.603 -2.640 -4.056 1.00 0.00 C ATOM 986 O VAL B 14 -1.754 -3.025 -3.879 1.00 0.00 O ATOM 987 CB VAL B 14 1.399 -4.040 -3.306 1.00 0.00 C ATOM 988 CG1 VAL B 14 2.396 -5.075 -3.823 1.00 0.00 C ATOM 989 CG2 VAL B 14 2.143 -2.927 -2.560 1.00 0.00 C ATOM 0 H VAL B 14 2.086 -2.904 -5.513 1.00 0.00 H new ATOM 0 HA VAL B 14 -0.067 -4.594 -4.679 1.00 0.00 H new ATOM 0 HB VAL B 14 0.729 -4.421 -2.535 1.00 0.00 H new ATOM 0 HG11 VAL B 14 3.079 -5.355 -3.021 1.00 0.00 H new ATOM 0 HG12 VAL B 14 1.858 -5.958 -4.167 1.00 0.00 H new ATOM 0 HG13 VAL B 14 2.964 -4.651 -4.651 1.00 0.00 H new ATOM 0 HG21 VAL B 14 2.770 -3.365 -1.784 1.00 0.00 H new ATOM 0 HG22 VAL B 14 2.768 -2.374 -3.261 1.00 0.00 H new ATOM 0 HG23 VAL B 14 1.421 -2.249 -2.104 1.00 0.00 H new ATOM 999 N MET B 15 -0.228 -1.355 -3.964 1.00 0.00 N ATOM 1000 CA MET B 15 -1.118 -0.264 -3.614 1.00 0.00 C ATOM 1001 C MET B 15 -2.435 -0.314 -4.388 1.00 0.00 C ATOM 1002 O MET B 15 -3.479 0.015 -3.833 1.00 0.00 O ATOM 1003 CB MET B 15 -0.399 1.041 -3.921 1.00 0.00 C ATOM 1004 CG MET B 15 0.803 1.296 -3.013 1.00 0.00 C ATOM 1005 SD MET B 15 0.354 1.987 -1.396 1.00 0.00 S ATOM 1006 CE MET B 15 1.821 2.992 -1.065 1.00 0.00 C ATOM 0 H MET B 15 0.730 -1.050 -4.138 1.00 0.00 H new ATOM 0 HA MET B 15 -1.368 -0.345 -2.556 1.00 0.00 H new ATOM 0 HB2 MET B 15 -0.066 1.029 -4.959 1.00 0.00 H new ATOM 0 HB3 MET B 15 -1.103 1.868 -3.822 1.00 0.00 H new ATOM 0 HG2 MET B 15 1.340 0.359 -2.863 1.00 0.00 H new ATOM 0 HG3 MET B 15 1.488 1.980 -3.514 1.00 0.00 H new ATOM 0 HE1 MET B 15 1.640 3.625 -0.196 1.00 0.00 H new ATOM 0 HE2 MET B 15 2.672 2.340 -0.868 1.00 0.00 H new ATOM 0 HE3 MET B 15 2.037 3.617 -1.931 1.00 0.00 H new ATOM 1016 N LYS B 16 -2.374 -0.720 -5.663 1.00 0.00 N ATOM 1017 CA LYS B 16 -3.528 -0.873 -6.534 1.00 0.00 C ATOM 1018 C LYS B 16 -4.543 -1.823 -5.899 1.00 0.00 C ATOM 1019 O LYS B 16 -5.714 -1.469 -5.774 1.00 0.00 O ATOM 1020 CB LYS B 16 -3.067 -1.382 -7.908 1.00 0.00 C ATOM 1021 CG LYS B 16 -4.184 -1.380 -8.964 1.00 0.00 C ATOM 1022 CD LYS B 16 -4.959 -2.707 -9.023 1.00 0.00 C ATOM 1023 CE LYS B 16 -6.059 -2.674 -10.090 1.00 0.00 C ATOM 1024 NZ LYS B 16 -7.142 -1.741 -9.733 1.00 0.00 N ATOM 0 H LYS B 16 -1.494 -0.955 -6.121 1.00 0.00 H new ATOM 0 HA LYS B 16 -4.017 0.092 -6.671 1.00 0.00 H new ATOM 0 HB2 LYS B 16 -2.243 -0.761 -8.260 1.00 0.00 H new ATOM 0 HB3 LYS B 16 -2.680 -2.395 -7.801 1.00 0.00 H new ATOM 0 HG2 LYS B 16 -4.879 -0.569 -8.747 1.00 0.00 H new ATOM 0 HG3 LYS B 16 -3.750 -1.175 -9.943 1.00 0.00 H new ATOM 0 HD2 LYS B 16 -4.268 -3.523 -9.237 1.00 0.00 H new ATOM 0 HD3 LYS B 16 -5.403 -2.913 -8.049 1.00 0.00 H new ATOM 0 HE2 LYS B 16 -5.628 -2.381 -11.047 1.00 0.00 H new ATOM 0 HE3 LYS B 16 -6.470 -3.675 -10.219 1.00 0.00 H new ATOM 0 HZ1 LYS B 16 -7.920 -1.834 -10.417 1.00 0.00 H new ATOM 0 HZ2 LYS B 16 -7.491 -1.963 -8.779 1.00 0.00 H new ATOM 0 HZ3 LYS B 16 -6.780 -0.766 -9.751 1.00 0.00 H new ATOM 1038 N VAL B 17 -4.092 -3.022 -5.497 1.00 0.00 N ATOM 1039 CA VAL B 17 -4.933 -4.023 -4.863 1.00 0.00 C ATOM 1040 C VAL B 17 -5.459 -3.506 -3.522 1.00 0.00 C ATOM 1041 O VAL B 17 -6.617 -3.743 -3.187 1.00 0.00 O ATOM 1042 CB VAL B 17 -4.131 -5.329 -4.717 1.00 0.00 C ATOM 1043 CG1 VAL B 17 -4.704 -6.236 -3.629 1.00 0.00 C ATOM 1044 CG2 VAL B 17 -4.116 -6.093 -6.046 1.00 0.00 C ATOM 0 H VAL B 17 -3.122 -3.317 -5.609 1.00 0.00 H new ATOM 0 HA VAL B 17 -5.807 -4.229 -5.481 1.00 0.00 H new ATOM 0 HB VAL B 17 -3.117 -5.050 -4.431 1.00 0.00 H new ATOM 0 HG11 VAL B 17 -4.107 -7.145 -3.561 1.00 0.00 H new ATOM 0 HG12 VAL B 17 -4.681 -5.715 -2.672 1.00 0.00 H new ATOM 0 HG13 VAL B 17 -5.733 -6.496 -3.877 1.00 0.00 H new ATOM 0 HG21 VAL B 17 -3.546 -7.015 -5.929 1.00 0.00 H new ATOM 0 HG22 VAL B 17 -5.138 -6.333 -6.339 1.00 0.00 H new ATOM 0 HG23 VAL B 17 -3.654 -5.475 -6.816 1.00 0.00 H new ATOM 1054 N ILE B 18 -4.619 -2.806 -2.754 1.00 0.00 N ATOM 1055 CA ILE B 18 -5.008 -2.266 -1.461 1.00 0.00 C ATOM 1056 C ILE B 18 -6.105 -1.212 -1.638 1.00 0.00 C ATOM 1057 O ILE B 18 -7.087 -1.226 -0.898 1.00 0.00 O ATOM 1058 CB ILE B 18 -3.772 -1.738 -0.713 1.00 0.00 C ATOM 1059 CG1 ILE B 18 -2.699 -2.850 -0.659 1.00 0.00 C ATOM 1060 CG2 ILE B 18 -4.195 -1.213 0.667 1.00 0.00 C ATOM 1061 CD1 ILE B 18 -1.646 -2.670 0.431 1.00 0.00 C ATOM 0 H ILE B 18 -3.655 -2.602 -3.016 1.00 0.00 H new ATOM 0 HA ILE B 18 -5.432 -3.056 -0.841 1.00 0.00 H new ATOM 0 HB ILE B 18 -3.321 -0.895 -1.236 1.00 0.00 H new ATOM 0 HG12 ILE B 18 -3.196 -3.808 -0.510 1.00 0.00 H new ATOM 0 HG13 ILE B 18 -2.197 -2.898 -1.625 1.00 0.00 H new ATOM 0 HG21 ILE B 18 -3.320 -0.839 1.198 1.00 0.00 H new ATOM 0 HG22 ILE B 18 -4.917 -0.406 0.544 1.00 0.00 H new ATOM 0 HG23 ILE B 18 -4.649 -2.021 1.240 1.00 0.00 H new ATOM 0 HD11 ILE B 18 -0.937 -3.497 0.392 1.00 0.00 H new ATOM 0 HD12 ILE B 18 -1.117 -1.730 0.274 1.00 0.00 H new ATOM 0 HD13 ILE B 18 -2.131 -2.654 1.407 1.00 0.00 H new ATOM 1073 N TRP B 19 -5.949 -0.321 -2.626 1.00 0.00 N ATOM 1074 CA TRP B 19 -6.918 0.719 -2.940 1.00 0.00 C ATOM 1075 C TRP B 19 -8.169 0.133 -3.603 1.00 0.00 C ATOM 1076 O TRP B 19 -9.232 0.747 -3.514 1.00 0.00 O ATOM 1077 CB TRP B 19 -6.268 1.828 -3.784 1.00 0.00 C ATOM 1078 CG TRP B 19 -5.233 2.669 -3.087 1.00 0.00 C ATOM 1079 CD1 TRP B 19 -5.307 3.101 -1.807 1.00 0.00 C ATOM 1080 CD2 TRP B 19 -3.986 3.227 -3.610 1.00 0.00 C ATOM 1081 NE1 TRP B 19 -4.192 3.842 -1.487 1.00 0.00 N ATOM 1082 CE2 TRP B 19 -3.332 3.934 -2.556 1.00 0.00 C ATOM 1083 CE3 TRP B 19 -3.341 3.224 -4.867 1.00 0.00 C ATOM 1084 CZ2 TRP B 19 -2.087 4.556 -2.720 1.00 0.00 C ATOM 1085 CZ3 TRP B 19 -2.099 3.864 -5.048 1.00 0.00 C ATOM 1086 CH2 TRP B 19 -1.444 4.473 -3.961 1.00 0.00 C ATOM 0 H TRP B 19 -5.131 -0.308 -3.235 1.00 0.00 H new ATOM 0 HA TRP B 19 -7.249 1.176 -2.008 1.00 0.00 H new ATOM 0 HB2 TRP B 19 -5.805 1.368 -4.657 1.00 0.00 H new ATOM 0 HB3 TRP B 19 -7.055 2.487 -4.150 1.00 0.00 H new ATOM 0 HD1 TRP B 19 -6.125 2.894 -1.132 1.00 0.00 H new ATOM 0 HE1 TRP B 19 -4.025 4.268 -0.575 1.00 0.00 H new ATOM 0 HE3 TRP B 19 -3.807 2.723 -5.702 1.00 0.00 H new ATOM 0 HZ2 TRP B 19 -1.630 5.092 -1.901 1.00 0.00 H new ATOM 0 HZ3 TRP B 19 -1.646 3.888 -6.028 1.00 0.00 H new ATOM 0 HH2 TRP B 19 -0.449 4.875 -4.084 1.00 0.00 H new ATOM 1097 N LYS B 20 -8.065 -1.041 -4.250 1.00 0.00 N ATOM 1098 CA LYS B 20 -9.211 -1.712 -4.852 1.00 0.00 C ATOM 1099 C LYS B 20 -10.177 -2.101 -3.727 1.00 0.00 C ATOM 1100 O LYS B 20 -11.380 -1.866 -3.834 1.00 0.00 O ATOM 1101 CB LYS B 20 -8.753 -2.921 -5.682 1.00 0.00 C ATOM 1102 CG LYS B 20 -9.894 -3.643 -6.412 1.00 0.00 C ATOM 1103 CD LYS B 20 -10.570 -2.764 -7.471 1.00 0.00 C ATOM 1104 CE LYS B 20 -11.576 -3.585 -8.283 1.00 0.00 C ATOM 1105 NZ LYS B 20 -12.240 -2.758 -9.303 1.00 0.00 N ATOM 0 H LYS B 20 -7.184 -1.543 -4.365 1.00 0.00 H new ATOM 0 HA LYS B 20 -9.729 -1.049 -5.545 1.00 0.00 H new ATOM 0 HB2 LYS B 20 -8.019 -2.588 -6.416 1.00 0.00 H new ATOM 0 HB3 LYS B 20 -8.249 -3.630 -5.025 1.00 0.00 H new ATOM 0 HG2 LYS B 20 -9.503 -4.542 -6.888 1.00 0.00 H new ATOM 0 HG3 LYS B 20 -10.639 -3.965 -5.684 1.00 0.00 H new ATOM 0 HD2 LYS B 20 -11.078 -1.928 -6.989 1.00 0.00 H new ATOM 0 HD3 LYS B 20 -9.817 -2.340 -8.135 1.00 0.00 H new ATOM 0 HE2 LYS B 20 -11.064 -4.419 -8.764 1.00 0.00 H new ATOM 0 HE3 LYS B 20 -12.324 -4.012 -7.615 1.00 0.00 H new ATOM 0 HZ1 LYS B 20 -12.916 -3.341 -9.837 1.00 0.00 H new ATOM 0 HZ2 LYS B 20 -12.747 -1.977 -8.840 1.00 0.00 H new ATOM 0 HZ3 LYS B 20 -11.527 -2.371 -9.954 1.00 0.00 H new ATOM 1119 N HIS B 21 -9.632 -2.668 -2.640 1.00 0.00 N ATOM 1120 CA HIS B 21 -10.363 -3.033 -1.433 1.00 0.00 C ATOM 1121 C HIS B 21 -10.605 -1.742 -0.625 1.00 0.00 C ATOM 1122 O HIS B 21 -9.900 -0.758 -0.854 1.00 0.00 O ATOM 1123 CB HIS B 21 -9.551 -4.093 -0.659 1.00 0.00 C ATOM 1124 CG HIS B 21 -9.441 -5.430 -1.354 1.00 0.00 C ATOM 1125 ND1 HIS B 21 -8.869 -5.565 -2.619 1.00 0.00 N ATOM 1126 CD2 HIS B 21 -9.802 -6.672 -0.900 1.00 0.00 C ATOM 1127 CE1 HIS B 21 -8.907 -6.874 -2.876 1.00 0.00 C ATOM 1128 NE2 HIS B 21 -9.461 -7.582 -1.879 1.00 0.00 N ATOM 0 H HIS B 21 -8.638 -2.889 -2.582 1.00 0.00 H new ATOM 0 HA HIS B 21 -11.333 -3.479 -1.653 1.00 0.00 H new ATOM 0 HB2 HIS B 21 -8.547 -3.706 -0.483 1.00 0.00 H new ATOM 0 HB3 HIS B 21 -10.011 -4.242 0.318 1.00 0.00 H new ATOM 0 HD1 HIS B 21 -8.502 -4.825 -3.217 1.00 0.00 H new ATOM 0 HD2 HIS B 21 -10.267 -6.896 0.048 1.00 0.00 H new ATOM 0 HE1 HIS B 21 -8.533 -7.316 -3.788 1.00 0.00 H new ATOM 1136 N SER B 22 -11.598 -1.698 0.288 1.00 0.00 N ATOM 1137 CA SER B 22 -11.860 -0.484 1.079 1.00 0.00 C ATOM 1138 C SER B 22 -10.579 -0.158 1.850 1.00 0.00 C ATOM 1139 O SER B 22 -9.993 0.908 1.667 1.00 0.00 O ATOM 1140 CB SER B 22 -13.072 -0.696 1.997 1.00 0.00 C ATOM 1141 OG SER B 22 -12.914 -1.834 2.820 1.00 0.00 O ATOM 0 H SER B 22 -12.222 -2.479 0.492 1.00 0.00 H new ATOM 0 HA SER B 22 -12.115 0.363 0.441 1.00 0.00 H new ATOM 0 HB2 SER B 22 -13.215 0.187 2.621 1.00 0.00 H new ATOM 0 HB3 SER B 22 -13.972 -0.807 1.392 1.00 0.00 H new ATOM 0 HG SER B 22 -13.703 -1.936 3.392 1.00 0.00 H new ATOM 1147 N SER B 23 -10.141 -1.112 2.675 1.00 0.00 N ATOM 1148 CA SER B 23 -8.807 -1.151 3.247 1.00 0.00 C ATOM 1149 C SER B 23 -8.363 -2.580 2.918 1.00 0.00 C ATOM 1150 O SER B 23 -8.899 -3.146 1.971 1.00 0.00 O ATOM 1151 CB SER B 23 -8.875 -0.871 4.745 1.00 0.00 C ATOM 1152 OG SER B 23 -9.393 0.423 4.970 1.00 0.00 O ATOM 0 H SER B 23 -10.725 -1.896 2.967 1.00 0.00 H new ATOM 0 HA SER B 23 -8.112 -0.405 2.862 1.00 0.00 H new ATOM 0 HB2 SER B 23 -9.505 -1.614 5.234 1.00 0.00 H new ATOM 0 HB3 SER B 23 -7.881 -0.956 5.185 1.00 0.00 H new ATOM 0 HG SER B 23 -9.585 0.537 5.924 1.00 0.00 H new ATOM 1158 N ILE B 24 -7.450 -3.223 3.655 1.00 0.00 N ATOM 1159 CA ILE B 24 -7.151 -4.632 3.402 1.00 0.00 C ATOM 1160 C ILE B 24 -6.701 -5.383 4.662 1.00 0.00 C ATOM 1161 O ILE B 24 -6.148 -4.748 5.554 1.00 0.00 O ATOM 1162 CB ILE B 24 -6.359 -4.811 2.095 1.00 0.00 C ATOM 1163 CG1 ILE B 24 -6.555 -6.211 1.509 1.00 0.00 C ATOM 1164 CG2 ILE B 24 -4.888 -4.478 2.289 1.00 0.00 C ATOM 1165 CD1 ILE B 24 -6.151 -6.272 0.033 1.00 0.00 C ATOM 0 H ILE B 24 -6.917 -2.799 4.415 1.00 0.00 H new ATOM 0 HA ILE B 24 -8.069 -5.176 3.182 1.00 0.00 H new ATOM 0 HB ILE B 24 -6.756 -4.102 1.368 1.00 0.00 H new ATOM 0 HG12 ILE B 24 -5.964 -6.929 2.078 1.00 0.00 H new ATOM 0 HG13 ILE B 24 -7.599 -6.505 1.612 1.00 0.00 H new ATOM 0 HG21 ILE B 24 -4.357 -4.615 1.347 1.00 0.00 H new ATOM 0 HG22 ILE B 24 -4.789 -3.442 2.614 1.00 0.00 H new ATOM 0 HG23 ILE B 24 -4.462 -5.138 3.045 1.00 0.00 H new ATOM 0 HD11 ILE B 24 -6.305 -7.283 -0.345 1.00 0.00 H new ATOM 0 HD12 ILE B 24 -6.760 -5.573 -0.540 1.00 0.00 H new ATOM 0 HD13 ILE B 24 -5.099 -6.004 -0.068 1.00 0.00 H new ATOM 1177 N ASN B 25 -6.924 -6.703 4.767 1.00 0.00 N ATOM 1178 CA ASN B 25 -6.477 -7.554 5.841 1.00 0.00 C ATOM 1179 C ASN B 25 -5.460 -8.409 5.063 1.00 0.00 C ATOM 1180 O ASN B 25 -5.767 -8.829 3.946 1.00 0.00 O ATOM 1181 CB ASN B 25 -7.707 -8.283 6.423 1.00 0.00 C ATOM 1182 CG ASN B 25 -8.322 -9.298 5.461 1.00 0.00 C ATOM 1183 OD1 ASN B 25 -7.926 -10.462 5.444 1.00 0.00 O ATOM 1184 ND2 ASN B 25 -9.303 -8.860 4.667 1.00 0.00 N ATOM 0 H ASN B 25 -7.450 -7.216 4.059 1.00 0.00 H new ATOM 0 HA ASN B 25 -6.024 -7.110 6.728 1.00 0.00 H new ATOM 0 HB2 ASN B 25 -7.417 -8.793 7.341 1.00 0.00 H new ATOM 0 HB3 ASN B 25 -8.463 -7.546 6.693 1.00 0.00 H new ATOM 0 HD21 ASN B 25 -9.755 -9.500 4.014 1.00 0.00 H new ATOM 0 HD22 ASN B 25 -9.600 -7.885 4.714 1.00 0.00 H new ATOM 1191 N THR B 26 -4.248 -8.622 5.591 1.00 0.00 N ATOM 1192 CA THR B 26 -3.157 -9.329 4.915 1.00 0.00 C ATOM 1193 C THR B 26 -3.578 -10.600 4.167 1.00 0.00 C ATOM 1194 O THR B 26 -2.914 -10.949 3.193 1.00 0.00 O ATOM 1195 CB THR B 26 -1.985 -9.607 5.877 1.00 0.00 C ATOM 1196 OG1 THR B 26 -1.569 -8.414 6.488 1.00 0.00 O ATOM 1197 CG2 THR B 26 -0.741 -10.134 5.158 1.00 0.00 C ATOM 0 H THR B 26 -3.994 -8.298 6.524 1.00 0.00 H new ATOM 0 HA THR B 26 -2.820 -8.644 4.137 1.00 0.00 H new ATOM 0 HB THR B 26 -2.361 -10.345 6.586 1.00 0.00 H new ATOM 0 HG1 THR B 26 -1.607 -7.682 5.837 1.00 0.00 H new ATOM 0 HG21 THR B 26 0.051 -10.312 5.885 1.00 0.00 H new ATOM 0 HG22 THR B 26 -0.983 -11.067 4.649 1.00 0.00 H new ATOM 0 HG23 THR B 26 -0.404 -9.399 4.427 1.00 0.00 H new ATOM 1205 N ASN B 27 -4.657 -11.296 4.559 1.00 0.00 N ATOM 1206 CA ASN B 27 -5.058 -12.464 3.780 1.00 0.00 C ATOM 1207 C ASN B 27 -5.440 -12.089 2.349 1.00 0.00 C ATOM 1208 O ASN B 27 -5.044 -12.788 1.422 1.00 0.00 O ATOM 1209 CB ASN B 27 -6.182 -13.244 4.465 1.00 0.00 C ATOM 1210 CG ASN B 27 -7.336 -13.668 3.550 1.00 0.00 C ATOM 1211 OD1 ASN B 27 -7.197 -14.596 2.755 1.00 0.00 O ATOM 1212 ND2 ASN B 27 -8.481 -12.990 3.670 1.00 0.00 N ATOM 0 H ASN B 27 -5.238 -11.081 5.369 1.00 0.00 H new ATOM 0 HA ASN B 27 -4.189 -13.120 3.725 1.00 0.00 H new ATOM 0 HB2 ASN B 27 -5.756 -14.137 4.923 1.00 0.00 H new ATOM 0 HB3 ASN B 27 -6.586 -12.634 5.273 1.00 0.00 H new ATOM 0 HD21 ASN B 27 -9.283 -13.236 3.089 1.00 0.00 H new ATOM 0 HD22 ASN B 27 -8.554 -12.227 4.343 1.00 0.00 H new ATOM 1219 N GLU B 28 -6.217 -11.016 2.164 1.00 0.00 N ATOM 1220 CA GLU B 28 -6.650 -10.583 0.853 1.00 0.00 C ATOM 1221 C GLU B 28 -5.457 -10.085 0.056 1.00 0.00 C ATOM 1222 O GLU B 28 -5.346 -10.406 -1.124 1.00 0.00 O ATOM 1223 CB GLU B 28 -7.705 -9.492 1.018 1.00 0.00 C ATOM 1224 CG GLU B 28 -9.017 -10.058 1.548 1.00 0.00 C ATOM 1225 CD GLU B 28 -9.725 -10.928 0.512 1.00 0.00 C ATOM 1226 OE1 GLU B 28 -10.203 -10.349 -0.488 1.00 0.00 O ATOM 1227 OE2 GLU B 28 -9.772 -12.158 0.735 1.00 0.00 O ATOM 0 H GLU B 28 -6.558 -10.430 2.927 1.00 0.00 H new ATOM 0 HA GLU B 28 -7.091 -11.416 0.305 1.00 0.00 H new ATOM 0 HB2 GLU B 28 -7.335 -8.727 1.701 1.00 0.00 H new ATOM 0 HB3 GLU B 28 -7.879 -9.005 0.059 1.00 0.00 H new ATOM 0 HG2 GLU B 28 -8.822 -10.647 2.444 1.00 0.00 H new ATOM 0 HG3 GLU B 28 -9.673 -9.239 1.842 1.00 0.00 H new ATOM 1234 N VAL B 29 -4.559 -9.328 0.700 1.00 0.00 N ATOM 1235 CA VAL B 29 -3.385 -8.802 0.032 1.00 0.00 C ATOM 1236 C VAL B 29 -2.532 -9.962 -0.481 1.00 0.00 C ATOM 1237 O VAL B 29 -2.340 -10.062 -1.686 1.00 0.00 O ATOM 1238 CB VAL B 29 -2.662 -7.760 0.917 1.00 0.00 C ATOM 1239 CG1 VAL B 29 -1.420 -8.254 1.665 1.00 0.00 C ATOM 1240 CG2 VAL B 29 -2.205 -6.564 0.083 1.00 0.00 C ATOM 0 H VAL B 29 -4.633 -9.072 1.685 1.00 0.00 H new ATOM 0 HA VAL B 29 -3.659 -8.232 -0.856 1.00 0.00 H new ATOM 0 HB VAL B 29 -3.419 -7.508 1.659 1.00 0.00 H new ATOM 0 HG11 VAL B 29 -0.999 -7.437 2.251 1.00 0.00 H new ATOM 0 HG12 VAL B 29 -1.697 -9.072 2.330 1.00 0.00 H new ATOM 0 HG13 VAL B 29 -0.679 -8.605 0.947 1.00 0.00 H new ATOM 0 HG21 VAL B 29 -1.699 -5.844 0.726 1.00 0.00 H new ATOM 0 HG22 VAL B 29 -1.518 -6.903 -0.693 1.00 0.00 H new ATOM 0 HG23 VAL B 29 -3.071 -6.091 -0.380 1.00 0.00 H new ATOM 1250 N ILE B 30 -2.102 -10.881 0.396 1.00 0.00 N ATOM 1251 CA ILE B 30 -1.295 -12.027 -0.002 1.00 0.00 C ATOM 1252 C ILE B 30 -2.046 -12.875 -1.029 1.00 0.00 C ATOM 1253 O ILE B 30 -1.468 -13.236 -2.051 1.00 0.00 O ATOM 1254 CB ILE B 30 -0.797 -12.815 1.228 1.00 0.00 C ATOM 1255 CG1 ILE B 30 0.271 -11.953 1.932 1.00 0.00 C ATOM 1256 CG2 ILE B 30 -0.199 -14.169 0.812 1.00 0.00 C ATOM 1257 CD1 ILE B 30 0.940 -12.614 3.139 1.00 0.00 C ATOM 0 H ILE B 30 -2.306 -10.845 1.395 1.00 0.00 H new ATOM 0 HA ILE B 30 -0.391 -11.678 -0.501 1.00 0.00 H new ATOM 0 HB ILE B 30 -1.630 -13.022 1.899 1.00 0.00 H new ATOM 0 HG12 ILE B 30 1.041 -11.691 1.207 1.00 0.00 H new ATOM 0 HG13 ILE B 30 -0.192 -11.021 2.257 1.00 0.00 H new ATOM 0 HG21 ILE B 30 0.144 -14.703 1.698 1.00 0.00 H new ATOM 0 HG22 ILE B 30 -0.959 -14.761 0.303 1.00 0.00 H new ATOM 0 HG23 ILE B 30 0.643 -14.004 0.140 1.00 0.00 H new ATOM 0 HD11 ILE B 30 1.675 -11.932 3.567 1.00 0.00 H new ATOM 0 HD12 ILE B 30 0.185 -12.851 3.889 1.00 0.00 H new ATOM 0 HD13 ILE B 30 1.437 -13.531 2.823 1.00 0.00 H new ATOM 1269 N LYS B 31 -3.328 -13.164 -0.773 1.00 0.00 N ATOM 1270 CA LYS B 31 -4.177 -13.925 -1.685 1.00 0.00 C ATOM 1271 C LYS B 31 -4.198 -13.303 -3.094 1.00 0.00 C ATOM 1272 O LYS B 31 -4.140 -14.041 -4.074 1.00 0.00 O ATOM 1273 CB LYS B 31 -5.561 -14.114 -1.040 1.00 0.00 C ATOM 1274 CG LYS B 31 -6.342 -15.330 -1.568 1.00 0.00 C ATOM 1275 CD LYS B 31 -7.162 -15.031 -2.820 1.00 0.00 C ATOM 1276 CE LYS B 31 -8.461 -14.289 -2.481 1.00 0.00 C ATOM 1277 NZ LYS B 31 -9.233 -13.983 -3.696 1.00 0.00 N ATOM 0 H LYS B 31 -3.804 -12.872 0.080 1.00 0.00 H new ATOM 0 HA LYS B 31 -3.765 -14.921 -1.845 1.00 0.00 H new ATOM 0 HB2 LYS B 31 -5.436 -14.217 0.038 1.00 0.00 H new ATOM 0 HB3 LYS B 31 -6.154 -13.215 -1.208 1.00 0.00 H new ATOM 0 HG2 LYS B 31 -5.641 -16.135 -1.787 1.00 0.00 H new ATOM 0 HG3 LYS B 31 -7.008 -15.692 -0.785 1.00 0.00 H new ATOM 0 HD2 LYS B 31 -6.569 -14.430 -3.509 1.00 0.00 H new ATOM 0 HD3 LYS B 31 -7.398 -15.964 -3.332 1.00 0.00 H new ATOM 0 HE2 LYS B 31 -9.065 -14.897 -1.807 1.00 0.00 H new ATOM 0 HE3 LYS B 31 -8.227 -13.364 -1.953 1.00 0.00 H new ATOM 0 HZ1 LYS B 31 -10.228 -13.817 -3.443 1.00 0.00 H new ATOM 0 HZ2 LYS B 31 -8.844 -13.131 -4.149 1.00 0.00 H new ATOM 0 HZ3 LYS B 31 -9.173 -14.784 -4.356 1.00 0.00 H new ATOM 1291 N GLU B 32 -4.225 -11.966 -3.212 1.00 0.00 N ATOM 1292 CA GLU B 32 -4.238 -11.276 -4.502 1.00 0.00 C ATOM 1293 C GLU B 32 -2.845 -11.198 -5.133 1.00 0.00 C ATOM 1294 O GLU B 32 -2.642 -11.723 -6.225 1.00 0.00 O ATOM 1295 CB GLU B 32 -4.812 -9.854 -4.355 1.00 0.00 C ATOM 1296 CG GLU B 32 -6.322 -9.757 -4.599 1.00 0.00 C ATOM 1297 CD GLU B 32 -7.149 -10.575 -3.610 1.00 0.00 C ATOM 1298 OE1 GLU B 32 -7.222 -11.804 -3.821 1.00 0.00 O ATOM 1299 OE2 GLU B 32 -7.705 -9.961 -2.674 1.00 0.00 O ATOM 0 H GLU B 32 -4.238 -11.336 -2.410 1.00 0.00 H new ATOM 0 HA GLU B 32 -4.876 -11.863 -5.162 1.00 0.00 H new ATOM 0 HB2 GLU B 32 -4.593 -9.488 -3.352 1.00 0.00 H new ATOM 0 HB3 GLU B 32 -4.299 -9.193 -5.054 1.00 0.00 H new ATOM 0 HG2 GLU B 32 -6.626 -8.712 -4.539 1.00 0.00 H new ATOM 0 HG3 GLU B 32 -6.542 -10.095 -5.612 1.00 0.00 H new ATOM 1306 N LEU B 33 -1.896 -10.528 -4.464 1.00 0.00 N ATOM 1307 CA LEU B 33 -0.546 -10.290 -4.882 1.00 0.00 C ATOM 1308 C LEU B 33 0.181 -11.577 -5.282 1.00 0.00 C ATOM 1309 O LEU B 33 0.919 -11.577 -6.264 1.00 0.00 O ATOM 1310 CB LEU B 33 0.114 -9.633 -3.672 1.00 0.00 C ATOM 1311 CG LEU B 33 0.076 -8.103 -3.588 1.00 0.00 C ATOM 1312 CD1 LEU B 33 -1.326 -7.509 -3.470 1.00 0.00 C ATOM 1313 CD2 LEU B 33 0.878 -7.701 -2.349 1.00 0.00 C ATOM 0 H LEU B 33 -2.087 -10.116 -3.551 1.00 0.00 H new ATOM 0 HA LEU B 33 -0.508 -9.665 -5.774 1.00 0.00 H new ATOM 0 HB2 LEU B 33 -0.359 -10.031 -2.774 1.00 0.00 H new ATOM 0 HB3 LEU B 33 1.158 -9.945 -3.648 1.00 0.00 H new ATOM 0 HG LEU B 33 0.489 -7.715 -4.519 1.00 0.00 H new ATOM 0 HD11 LEU B 33 -1.257 -6.422 -3.416 1.00 0.00 H new ATOM 0 HD12 LEU B 33 -1.916 -7.793 -4.342 1.00 0.00 H new ATOM 0 HD13 LEU B 33 -1.807 -7.887 -2.568 1.00 0.00 H new ATOM 0 HD21 LEU B 33 0.877 -6.615 -2.251 1.00 0.00 H new ATOM 0 HD22 LEU B 33 0.426 -8.146 -1.463 1.00 0.00 H new ATOM 0 HD23 LEU B 33 1.904 -8.055 -2.449 1.00 0.00 H new ATOM 1325 N SER B 34 -0.018 -12.663 -4.525 1.00 0.00 N ATOM 1326 CA SER B 34 0.617 -13.948 -4.780 1.00 0.00 C ATOM 1327 C SER B 34 0.126 -14.583 -6.082 1.00 0.00 C ATOM 1328 O SER B 34 0.921 -15.172 -6.812 1.00 0.00 O ATOM 1329 CB SER B 34 0.391 -14.885 -3.588 1.00 0.00 C ATOM 1330 OG SER B 34 1.125 -16.079 -3.759 1.00 0.00 O ATOM 0 H SER B 34 -0.632 -12.667 -3.711 1.00 0.00 H new ATOM 0 HA SER B 34 1.687 -13.778 -4.900 1.00 0.00 H new ATOM 0 HB2 SER B 34 0.696 -14.391 -2.665 1.00 0.00 H new ATOM 0 HB3 SER B 34 -0.671 -15.113 -3.492 1.00 0.00 H new ATOM 0 HG SER B 34 0.974 -16.669 -2.991 1.00 0.00 H new ATOM 1336 N LYS B 35 -1.176 -14.473 -6.369 1.00 0.00 N ATOM 1337 CA LYS B 35 -1.776 -15.021 -7.577 1.00 0.00 C ATOM 1338 C LYS B 35 -1.390 -14.202 -8.806 1.00 0.00 C ATOM 1339 O LYS B 35 -1.048 -14.769 -9.842 1.00 0.00 O ATOM 1340 CB LYS B 35 -3.302 -15.062 -7.433 1.00 0.00 C ATOM 1341 CG LYS B 35 -3.724 -16.178 -6.471 1.00 0.00 C ATOM 1342 CD LYS B 35 -5.252 -16.233 -6.352 1.00 0.00 C ATOM 1343 CE LYS B 35 -5.705 -17.294 -5.343 1.00 0.00 C ATOM 1344 NZ LYS B 35 -5.321 -18.654 -5.757 1.00 0.00 N ATOM 0 H LYS B 35 -1.842 -13.997 -5.761 1.00 0.00 H new ATOM 0 HA LYS B 35 -1.398 -16.034 -7.713 1.00 0.00 H new ATOM 0 HB2 LYS B 35 -3.664 -14.102 -7.065 1.00 0.00 H new ATOM 0 HB3 LYS B 35 -3.760 -15.223 -8.409 1.00 0.00 H new ATOM 0 HG2 LYS B 35 -3.346 -17.136 -6.828 1.00 0.00 H new ATOM 0 HG3 LYS B 35 -3.282 -16.007 -5.489 1.00 0.00 H new ATOM 0 HD2 LYS B 35 -5.628 -15.257 -6.047 1.00 0.00 H new ATOM 0 HD3 LYS B 35 -5.685 -16.451 -7.328 1.00 0.00 H new ATOM 0 HE2 LYS B 35 -5.269 -17.076 -4.368 1.00 0.00 H new ATOM 0 HE3 LYS B 35 -6.788 -17.243 -5.226 1.00 0.00 H new ATOM 0 HZ1 LYS B 35 -5.748 -19.347 -5.110 1.00 0.00 H new ATOM 0 HZ2 LYS B 35 -5.658 -18.830 -6.725 1.00 0.00 H new ATOM 0 HZ3 LYS B 35 -4.285 -18.746 -5.729 1.00 0.00 H new ATOM 1358 N THR B 36 -1.448 -12.871 -8.685 1.00 0.00 N ATOM 1359 CA THR B 36 -1.158 -11.950 -9.772 1.00 0.00 C ATOM 1360 C THR B 36 0.342 -11.881 -10.072 1.00 0.00 C ATOM 1361 O THR B 36 0.761 -12.235 -11.172 1.00 0.00 O ATOM 1362 CB THR B 36 -1.765 -10.573 -9.461 1.00 0.00 C ATOM 1363 OG1 THR B 36 -1.277 -10.067 -8.235 1.00 0.00 O ATOM 1364 CG2 THR B 36 -3.296 -10.659 -9.404 1.00 0.00 C ATOM 0 H THR B 36 -1.702 -12.404 -7.814 1.00 0.00 H new ATOM 0 HA THR B 36 -1.624 -12.322 -10.684 1.00 0.00 H new ATOM 0 HB THR B 36 -1.471 -9.895 -10.262 1.00 0.00 H new ATOM 0 HG1 THR B 36 -1.763 -10.484 -7.493 1.00 0.00 H new ATOM 0 HG21 THR B 36 -3.708 -9.674 -9.183 1.00 0.00 H new ATOM 0 HG22 THR B 36 -3.677 -11.004 -10.365 1.00 0.00 H new ATOM 0 HG23 THR B 36 -3.592 -11.360 -8.624 1.00 0.00 H new ATOM 1372 N SER B 37 1.141 -11.436 -9.095 1.00 0.00 N ATOM 1373 CA SER B 37 2.586 -11.283 -9.210 1.00 0.00 C ATOM 1374 C SER B 37 3.323 -12.534 -8.726 1.00 0.00 C ATOM 1375 O SER B 37 2.748 -13.366 -8.027 1.00 0.00 O ATOM 1376 CB SER B 37 3.020 -10.042 -8.425 1.00 0.00 C ATOM 1377 OG SER B 37 4.371 -9.739 -8.696 1.00 0.00 O ATOM 0 H SER B 37 0.784 -11.166 -8.178 1.00 0.00 H new ATOM 0 HA SER B 37 2.848 -11.154 -10.260 1.00 0.00 H new ATOM 0 HB2 SER B 37 2.389 -9.195 -8.693 1.00 0.00 H new ATOM 0 HB3 SER B 37 2.886 -10.214 -7.357 1.00 0.00 H new ATOM 0 HG SER B 37 4.771 -9.301 -7.916 1.00 0.00 H new ATOM 1383 N THR B 38 4.600 -12.660 -9.119 1.00 0.00 N ATOM 1384 CA THR B 38 5.476 -13.771 -8.766 1.00 0.00 C ATOM 1385 C THR B 38 5.544 -13.925 -7.245 1.00 0.00 C ATOM 1386 O THR B 38 5.165 -14.974 -6.728 1.00 0.00 O ATOM 1387 CB THR B 38 6.866 -13.544 -9.381 1.00 0.00 C ATOM 1388 OG1 THR B 38 6.741 -13.378 -10.779 1.00 0.00 O ATOM 1389 CG2 THR B 38 7.806 -14.723 -9.105 1.00 0.00 C ATOM 0 H THR B 38 5.059 -11.966 -9.709 1.00 0.00 H new ATOM 0 HA THR B 38 5.076 -14.701 -9.170 1.00 0.00 H new ATOM 0 HB THR B 38 7.291 -12.650 -8.924 1.00 0.00 H new ATOM 0 HG1 THR B 38 7.627 -13.231 -11.172 1.00 0.00 H new ATOM 0 HG21 THR B 38 8.779 -14.526 -9.555 1.00 0.00 H new ATOM 0 HG22 THR B 38 7.923 -14.851 -8.029 1.00 0.00 H new ATOM 0 HG23 THR B 38 7.385 -15.632 -9.534 1.00 0.00 H new ATOM 1397 N TRP B 39 6.024 -12.871 -6.566 1.00 0.00 N ATOM 1398 CA TRP B 39 6.180 -12.701 -5.126 1.00 0.00 C ATOM 1399 C TRP B 39 5.405 -13.698 -4.253 1.00 0.00 C ATOM 1400 O TRP B 39 4.176 -13.736 -4.293 1.00 0.00 O ATOM 1401 CB TRP B 39 5.762 -11.268 -4.759 1.00 0.00 C ATOM 1402 CG TRP B 39 6.320 -10.143 -5.581 1.00 0.00 C ATOM 1403 CD1 TRP B 39 7.555 -10.086 -6.129 1.00 0.00 C ATOM 1404 CD2 TRP B 39 5.651 -8.913 -5.992 1.00 0.00 C ATOM 1405 NE1 TRP B 39 7.704 -8.915 -6.840 1.00 0.00 N ATOM 1406 CE2 TRP B 39 6.553 -8.157 -6.797 1.00 0.00 C ATOM 1407 CE3 TRP B 39 4.362 -8.370 -5.791 1.00 0.00 C ATOM 1408 CZ2 TRP B 39 6.200 -6.926 -7.367 1.00 0.00 C ATOM 1409 CZ3 TRP B 39 3.990 -7.147 -6.379 1.00 0.00 C ATOM 1410 CH2 TRP B 39 4.909 -6.422 -7.156 1.00 0.00 C ATOM 0 H TRP B 39 6.341 -12.041 -7.067 1.00 0.00 H new ATOM 0 HA TRP B 39 7.230 -12.899 -4.912 1.00 0.00 H new ATOM 0 HB2 TRP B 39 4.675 -11.213 -4.811 1.00 0.00 H new ATOM 0 HB3 TRP B 39 6.041 -11.094 -3.720 1.00 0.00 H new ATOM 0 HD1 TRP B 39 8.314 -10.847 -6.025 1.00 0.00 H new ATOM 0 HE1 TRP B 39 8.555 -8.644 -7.334 1.00 0.00 H new ATOM 0 HE3 TRP B 39 3.651 -8.902 -5.176 1.00 0.00 H new ATOM 0 HZ2 TRP B 39 6.913 -6.373 -7.961 1.00 0.00 H new ATOM 0 HZ3 TRP B 39 2.991 -6.763 -6.232 1.00 0.00 H new ATOM 0 HH2 TRP B 39 4.621 -5.476 -7.591 1.00 0.00 H new ATOM 1421 N SER B 40 6.133 -14.489 -3.455 1.00 0.00 N ATOM 1422 CA SER B 40 5.581 -15.465 -2.522 1.00 0.00 C ATOM 1423 C SER B 40 5.065 -14.741 -1.264 1.00 0.00 C ATOM 1424 O SER B 40 5.262 -13.532 -1.148 1.00 0.00 O ATOM 1425 CB SER B 40 6.688 -16.482 -2.201 1.00 0.00 C ATOM 1426 OG SER B 40 7.670 -15.911 -1.361 1.00 0.00 O ATOM 0 H SER B 40 7.153 -14.463 -3.444 1.00 0.00 H new ATOM 0 HA SER B 40 4.731 -15.996 -2.951 1.00 0.00 H new ATOM 0 HB2 SER B 40 6.254 -17.357 -1.717 1.00 0.00 H new ATOM 0 HB3 SER B 40 7.151 -16.826 -3.126 1.00 0.00 H new ATOM 0 HG SER B 40 8.003 -15.082 -1.764 1.00 0.00 H new ATOM 1432 N PRO B 41 4.413 -15.432 -0.311 1.00 0.00 N ATOM 1433 CA PRO B 41 3.906 -14.825 0.916 1.00 0.00 C ATOM 1434 C PRO B 41 4.964 -14.009 1.663 1.00 0.00 C ATOM 1435 O PRO B 41 4.658 -12.934 2.171 1.00 0.00 O ATOM 1436 CB PRO B 41 3.374 -15.984 1.762 1.00 0.00 C ATOM 1437 CG PRO B 41 2.931 -16.984 0.696 1.00 0.00 C ATOM 1438 CD PRO B 41 4.028 -16.833 -0.356 1.00 0.00 C ATOM 0 HA PRO B 41 3.124 -14.100 0.689 1.00 0.00 H new ATOM 0 HB2 PRO B 41 4.143 -16.398 2.415 1.00 0.00 H new ATOM 0 HB3 PRO B 41 2.546 -15.676 2.400 1.00 0.00 H new ATOM 0 HG2 PRO B 41 2.878 -18.000 1.087 1.00 0.00 H new ATOM 0 HG3 PRO B 41 1.946 -16.744 0.296 1.00 0.00 H new ATOM 0 HD2 PRO B 41 4.876 -17.481 -0.136 1.00 0.00 H new ATOM 0 HD3 PRO B 41 3.664 -17.109 -1.346 1.00 0.00 H new ATOM 1446 N LYS B 42 6.206 -14.508 1.707 1.00 0.00 N ATOM 1447 CA LYS B 42 7.322 -13.835 2.355 1.00 0.00 C ATOM 1448 C LYS B 42 7.687 -12.567 1.585 1.00 0.00 C ATOM 1449 O LYS B 42 7.753 -11.494 2.178 1.00 0.00 O ATOM 1450 CB LYS B 42 8.520 -14.786 2.461 1.00 0.00 C ATOM 1451 CG LYS B 42 8.218 -16.071 3.247 1.00 0.00 C ATOM 1452 CD LYS B 42 7.616 -15.797 4.634 1.00 0.00 C ATOM 1453 CE LYS B 42 7.607 -17.052 5.511 1.00 0.00 C ATOM 1454 NZ LYS B 42 8.967 -17.445 5.920 1.00 0.00 N ATOM 0 H LYS B 42 6.460 -15.402 1.286 1.00 0.00 H new ATOM 0 HA LYS B 42 7.031 -13.545 3.365 1.00 0.00 H new ATOM 0 HB2 LYS B 42 8.851 -15.053 1.457 1.00 0.00 H new ATOM 0 HB3 LYS B 42 9.347 -14.263 2.941 1.00 0.00 H new ATOM 0 HG2 LYS B 42 7.527 -16.688 2.672 1.00 0.00 H new ATOM 0 HG3 LYS B 42 9.138 -16.645 3.363 1.00 0.00 H new ATOM 0 HD2 LYS B 42 8.188 -15.012 5.129 1.00 0.00 H new ATOM 0 HD3 LYS B 42 6.597 -15.426 4.521 1.00 0.00 H new ATOM 0 HE2 LYS B 42 6.999 -16.871 6.397 1.00 0.00 H new ATOM 0 HE3 LYS B 42 7.140 -17.873 4.966 1.00 0.00 H new ATOM 0 HZ1 LYS B 42 8.910 -18.140 6.691 1.00 0.00 H new ATOM 0 HZ2 LYS B 42 9.465 -17.866 5.110 1.00 0.00 H new ATOM 0 HZ3 LYS B 42 9.487 -16.606 6.248 1.00 0.00 H new ATOM 1468 N THR B 43 7.906 -12.698 0.270 1.00 0.00 N ATOM 1469 CA THR B 43 8.245 -11.626 -0.654 1.00 0.00 C ATOM 1470 C THR B 43 7.284 -10.433 -0.575 1.00 0.00 C ATOM 1471 O THR B 43 7.691 -9.300 -0.821 1.00 0.00 O ATOM 1472 CB THR B 43 8.254 -12.209 -2.066 1.00 0.00 C ATOM 1473 OG1 THR B 43 9.004 -13.403 -2.085 1.00 0.00 O ATOM 1474 CG2 THR B 43 8.819 -11.219 -3.084 1.00 0.00 C ATOM 0 H THR B 43 7.847 -13.604 -0.194 1.00 0.00 H new ATOM 0 HA THR B 43 9.225 -11.235 -0.381 1.00 0.00 H new ATOM 0 HB THR B 43 7.222 -12.419 -2.348 1.00 0.00 H new ATOM 0 HG1 THR B 43 9.005 -13.774 -2.992 1.00 0.00 H new ATOM 0 HG21 THR B 43 8.808 -11.671 -4.076 1.00 0.00 H new ATOM 0 HG22 THR B 43 8.209 -10.316 -3.090 1.00 0.00 H new ATOM 0 HG23 THR B 43 9.843 -10.963 -2.813 1.00 0.00 H new ATOM 1482 N ILE B 44 6.015 -10.690 -0.240 1.00 0.00 N ATOM 1483 CA ILE B 44 4.957 -9.694 -0.145 1.00 0.00 C ATOM 1484 C ILE B 44 5.049 -8.868 1.143 1.00 0.00 C ATOM 1485 O ILE B 44 4.939 -7.644 1.095 1.00 0.00 O ATOM 1486 CB ILE B 44 3.605 -10.416 -0.302 1.00 0.00 C ATOM 1487 CG1 ILE B 44 3.453 -10.855 -1.770 1.00 0.00 C ATOM 1488 CG2 ILE B 44 2.445 -9.512 0.133 1.00 0.00 C ATOM 1489 CD1 ILE B 44 2.378 -11.924 -1.972 1.00 0.00 C ATOM 0 H ILE B 44 5.691 -11.632 -0.021 1.00 0.00 H new ATOM 0 HA ILE B 44 5.065 -8.963 -0.946 1.00 0.00 H new ATOM 0 HB ILE B 44 3.580 -11.294 0.343 1.00 0.00 H new ATOM 0 HG12 ILE B 44 3.209 -9.985 -2.379 1.00 0.00 H new ATOM 0 HG13 ILE B 44 4.409 -11.238 -2.129 1.00 0.00 H new ATOM 0 HG21 ILE B 44 1.502 -10.046 0.012 1.00 0.00 H new ATOM 0 HG22 ILE B 44 2.573 -9.234 1.179 1.00 0.00 H new ATOM 0 HG23 ILE B 44 2.434 -8.613 -0.483 1.00 0.00 H new ATOM 0 HD11 ILE B 44 2.322 -12.189 -3.028 1.00 0.00 H new ATOM 0 HD12 ILE B 44 2.631 -12.809 -1.389 1.00 0.00 H new ATOM 0 HD13 ILE B 44 1.414 -11.537 -1.643 1.00 0.00 H new ATOM 1501 N GLN B 45 5.246 -9.542 2.281 1.00 0.00 N ATOM 1502 CA GLN B 45 5.314 -8.969 3.623 1.00 0.00 C ATOM 1503 C GLN B 45 6.236 -7.753 3.788 1.00 0.00 C ATOM 1504 O GLN B 45 5.941 -6.896 4.621 1.00 0.00 O ATOM 1505 CB GLN B 45 5.684 -10.083 4.608 1.00 0.00 C ATOM 1506 CG GLN B 45 4.496 -11.032 4.826 1.00 0.00 C ATOM 1507 CD GLN B 45 4.892 -12.362 5.468 1.00 0.00 C ATOM 1508 OE1 GLN B 45 6.070 -12.699 5.559 1.00 0.00 O ATOM 1509 NE2 GLN B 45 3.894 -13.130 5.914 1.00 0.00 N ATOM 0 H GLN B 45 5.368 -10.555 2.287 1.00 0.00 H new ATOM 0 HA GLN B 45 4.325 -8.562 3.832 1.00 0.00 H new ATOM 0 HB2 GLN B 45 6.538 -10.643 4.227 1.00 0.00 H new ATOM 0 HB3 GLN B 45 5.987 -9.647 5.560 1.00 0.00 H new ATOM 0 HG2 GLN B 45 3.757 -10.538 5.457 1.00 0.00 H new ATOM 0 HG3 GLN B 45 4.016 -11.228 3.867 1.00 0.00 H new ATOM 0 HE21 GLN B 45 2.928 -12.816 5.821 1.00 0.00 H new ATOM 0 HE22 GLN B 45 4.098 -14.030 6.348 1.00 0.00 H new ATOM 1518 N THR B 46 7.330 -7.653 3.021 1.00 0.00 N ATOM 1519 CA THR B 46 8.271 -6.543 3.145 1.00 0.00 C ATOM 1520 C THR B 46 7.682 -5.183 2.795 1.00 0.00 C ATOM 1521 O THR B 46 7.800 -4.260 3.592 1.00 0.00 O ATOM 1522 CB THR B 46 9.530 -6.741 2.296 1.00 0.00 C ATOM 1523 OG1 THR B 46 10.393 -5.661 2.596 1.00 0.00 O ATOM 1524 CG2 THR B 46 9.263 -6.778 0.779 1.00 0.00 C ATOM 0 H THR B 46 7.582 -8.335 2.305 1.00 0.00 H new ATOM 0 HA THR B 46 8.526 -6.548 4.205 1.00 0.00 H new ATOM 0 HB THR B 46 9.961 -7.712 2.540 1.00 0.00 H new ATOM 0 HG1 THR B 46 11.218 -5.747 2.074 1.00 0.00 H new ATOM 0 HG21 THR B 46 10.204 -6.921 0.247 1.00 0.00 H new ATOM 0 HG22 THR B 46 8.587 -7.601 0.549 1.00 0.00 H new ATOM 0 HG23 THR B 46 8.809 -5.838 0.466 1.00 0.00 H new ATOM 1532 N MET B 47 7.108 -5.056 1.592 1.00 0.00 N ATOM 1533 CA MET B 47 6.562 -3.819 1.067 1.00 0.00 C ATOM 1534 C MET B 47 5.613 -3.224 2.091 1.00 0.00 C ATOM 1535 O MET B 47 5.781 -2.086 2.511 1.00 0.00 O ATOM 1536 CB MET B 47 5.860 -4.086 -0.274 1.00 0.00 C ATOM 1537 CG MET B 47 6.843 -4.589 -1.340 1.00 0.00 C ATOM 1538 SD MET B 47 6.108 -4.906 -2.966 1.00 0.00 S ATOM 1539 CE MET B 47 5.512 -6.592 -2.684 1.00 0.00 C ATOM 0 H MET B 47 7.013 -5.840 0.946 1.00 0.00 H new ATOM 0 HA MET B 47 7.361 -3.101 0.881 1.00 0.00 H new ATOM 0 HB2 MET B 47 5.070 -4.823 -0.131 1.00 0.00 H new ATOM 0 HB3 MET B 47 5.382 -3.171 -0.623 1.00 0.00 H new ATOM 0 HG2 MET B 47 7.640 -3.854 -1.455 1.00 0.00 H new ATOM 0 HG3 MET B 47 7.306 -5.508 -0.981 1.00 0.00 H new ATOM 0 HE1 MET B 47 4.739 -6.832 -3.414 1.00 0.00 H new ATOM 0 HE2 MET B 47 6.340 -7.293 -2.789 1.00 0.00 H new ATOM 0 HE3 MET B 47 5.097 -6.668 -1.679 1.00 0.00 H new ATOM 1549 N LEU B 48 4.667 -4.046 2.536 1.00 0.00 N ATOM 1550 CA LEU B 48 3.655 -3.707 3.510 1.00 0.00 C ATOM 1551 C LEU B 48 4.280 -3.141 4.788 1.00 0.00 C ATOM 1552 O LEU B 48 3.922 -2.044 5.204 1.00 0.00 O ATOM 1553 CB LEU B 48 2.829 -4.968 3.783 1.00 0.00 C ATOM 1554 CG LEU B 48 2.159 -5.523 2.510 1.00 0.00 C ATOM 1555 CD1 LEU B 48 1.826 -7.004 2.685 1.00 0.00 C ATOM 1556 CD2 LEU B 48 0.899 -4.730 2.161 1.00 0.00 C ATOM 0 H LEU B 48 4.589 -5.008 2.207 1.00 0.00 H new ATOM 0 HA LEU B 48 3.005 -2.922 3.123 1.00 0.00 H new ATOM 0 HB2 LEU B 48 3.474 -5.734 4.214 1.00 0.00 H new ATOM 0 HB3 LEU B 48 2.062 -4.743 4.524 1.00 0.00 H new ATOM 0 HG LEU B 48 2.863 -5.418 1.685 1.00 0.00 H new ATOM 0 HD11 LEU B 48 1.354 -7.380 1.778 1.00 0.00 H new ATOM 0 HD12 LEU B 48 2.742 -7.563 2.876 1.00 0.00 H new ATOM 0 HD13 LEU B 48 1.144 -7.127 3.527 1.00 0.00 H new ATOM 0 HD21 LEU B 48 0.447 -5.143 1.259 1.00 0.00 H new ATOM 0 HD22 LEU B 48 0.189 -4.795 2.985 1.00 0.00 H new ATOM 0 HD23 LEU B 48 1.162 -3.686 1.990 1.00 0.00 H new ATOM 1568 N LEU B 49 5.235 -3.864 5.386 1.00 0.00 N ATOM 1569 CA LEU B 49 5.918 -3.473 6.615 1.00 0.00 C ATOM 1570 C LEU B 49 6.763 -2.208 6.440 1.00 0.00 C ATOM 1571 O LEU B 49 6.719 -1.311 7.279 1.00 0.00 O ATOM 1572 CB LEU B 49 6.764 -4.668 7.095 1.00 0.00 C ATOM 1573 CG LEU B 49 7.516 -4.526 8.434 1.00 0.00 C ATOM 1574 CD1 LEU B 49 8.893 -3.865 8.291 1.00 0.00 C ATOM 1575 CD2 LEU B 49 6.692 -3.830 9.524 1.00 0.00 C ATOM 0 H LEU B 49 5.558 -4.758 5.016 1.00 0.00 H new ATOM 0 HA LEU B 49 5.176 -3.218 7.371 1.00 0.00 H new ATOM 0 HB2 LEU B 49 6.107 -5.534 7.170 1.00 0.00 H new ATOM 0 HB3 LEU B 49 7.498 -4.891 6.321 1.00 0.00 H new ATOM 0 HG LEU B 49 7.681 -5.553 8.759 1.00 0.00 H new ATOM 0 HD11 LEU B 49 9.367 -3.796 9.270 1.00 0.00 H new ATOM 0 HD12 LEU B 49 9.517 -4.464 7.627 1.00 0.00 H new ATOM 0 HD13 LEU B 49 8.775 -2.865 7.874 1.00 0.00 H new ATOM 0 HD21 LEU B 49 7.281 -3.763 10.439 1.00 0.00 H new ATOM 0 HD22 LEU B 49 6.423 -2.827 9.192 1.00 0.00 H new ATOM 0 HD23 LEU B 49 5.786 -4.404 9.717 1.00 0.00 H new ATOM 1587 N ARG B 50 7.533 -2.129 5.353 1.00 0.00 N ATOM 1588 CA ARG B 50 8.442 -1.023 5.093 1.00 0.00 C ATOM 1589 C ARG B 50 7.695 0.268 4.815 1.00 0.00 C ATOM 1590 O ARG B 50 8.076 1.300 5.356 1.00 0.00 O ATOM 1591 CB ARG B 50 9.471 -1.418 4.035 1.00 0.00 C ATOM 1592 CG ARG B 50 10.390 -2.474 4.659 1.00 0.00 C ATOM 1593 CD ARG B 50 11.595 -1.755 5.256 1.00 0.00 C ATOM 1594 NE ARG B 50 12.385 -2.623 6.136 1.00 0.00 N ATOM 1595 CZ ARG B 50 13.530 -2.247 6.733 1.00 0.00 C ATOM 1596 NH1 ARG B 50 14.046 -1.025 6.528 1.00 0.00 N ATOM 1597 NH2 ARG B 50 14.169 -3.100 7.545 1.00 0.00 N ATOM 0 H ARG B 50 7.539 -2.842 4.623 1.00 0.00 H new ATOM 0 HA ARG B 50 9.015 -0.806 5.994 1.00 0.00 H new ATOM 0 HB2 ARG B 50 8.977 -1.815 3.149 1.00 0.00 H new ATOM 0 HB3 ARG B 50 10.046 -0.549 3.716 1.00 0.00 H new ATOM 0 HG2 ARG B 50 9.860 -3.034 5.430 1.00 0.00 H new ATOM 0 HG3 ARG B 50 10.710 -3.194 3.906 1.00 0.00 H new ATOM 0 HD2 ARG B 50 12.229 -1.385 4.451 1.00 0.00 H new ATOM 0 HD3 ARG B 50 11.254 -0.886 5.818 1.00 0.00 H new ATOM 0 HE ARG B 50 12.045 -3.570 6.305 1.00 0.00 H new ATOM 0 HH11 ARG B 50 13.569 -0.367 5.912 1.00 0.00 H new ATOM 0 HH12 ARG B 50 14.915 -0.755 6.988 1.00 0.00 H new ATOM 0 HH21 ARG B 50 13.787 -4.031 7.709 1.00 0.00 H new ATOM 0 HH22 ARG B 50 15.038 -2.818 7.999 1.00 0.00 H new ATOM 1611 N LEU B 51 6.636 0.239 4.000 1.00 0.00 N ATOM 1612 CA LEU B 51 5.774 1.349 3.779 1.00 0.00 C ATOM 1613 C LEU B 51 5.307 1.871 5.140 1.00 0.00 C ATOM 1614 O LEU B 51 5.402 3.066 5.380 1.00 0.00 O ATOM 1615 CB LEU B 51 4.653 0.785 2.909 1.00 0.00 C ATOM 1616 CG LEU B 51 4.960 0.933 1.414 1.00 0.00 C ATOM 1617 CD1 LEU B 51 6.360 0.585 0.894 1.00 0.00 C ATOM 1618 CD2 LEU B 51 3.869 0.268 0.563 1.00 0.00 C ATOM 0 H LEU B 51 6.368 -0.592 3.472 1.00 0.00 H new ATOM 0 HA LEU B 51 6.231 2.202 3.278 1.00 0.00 H new ATOM 0 HB2 LEU B 51 4.504 -0.268 3.146 1.00 0.00 H new ATOM 0 HB3 LEU B 51 3.720 1.299 3.141 1.00 0.00 H new ATOM 0 HG LEU B 51 4.957 2.017 1.297 1.00 0.00 H new ATOM 0 HD11 LEU B 51 6.399 0.748 -0.183 1.00 0.00 H new ATOM 0 HD12 LEU B 51 7.098 1.220 1.384 1.00 0.00 H new ATOM 0 HD13 LEU B 51 6.579 -0.460 1.111 1.00 0.00 H new ATOM 0 HD21 LEU B 51 4.109 0.386 -0.494 1.00 0.00 H new ATOM 0 HD22 LEU B 51 3.814 -0.793 0.806 1.00 0.00 H new ATOM 0 HD23 LEU B 51 2.908 0.738 0.771 1.00 0.00 H new ATOM 1630 N ILE B 52 4.894 0.989 6.059 1.00 0.00 N ATOM 1631 CA ILE B 52 4.462 1.383 7.393 1.00 0.00 C ATOM 1632 C ILE B 52 5.600 2.050 8.170 1.00 0.00 C ATOM 1633 O ILE B 52 5.377 3.074 8.814 1.00 0.00 O ATOM 1634 CB ILE B 52 3.825 0.190 8.133 1.00 0.00 C ATOM 1635 CG1 ILE B 52 2.579 -0.269 7.362 1.00 0.00 C ATOM 1636 CG2 ILE B 52 3.426 0.570 9.565 1.00 0.00 C ATOM 1637 CD1 ILE B 52 2.132 -1.689 7.675 1.00 0.00 C ATOM 0 H ILE B 52 4.852 -0.016 5.892 1.00 0.00 H new ATOM 0 HA ILE B 52 3.683 2.140 7.304 1.00 0.00 H new ATOM 0 HB ILE B 52 4.558 -0.615 8.187 1.00 0.00 H new ATOM 0 HG12 ILE B 52 1.759 0.414 7.583 1.00 0.00 H new ATOM 0 HG13 ILE B 52 2.779 -0.192 6.293 1.00 0.00 H new ATOM 0 HG21 ILE B 52 2.980 -0.293 10.060 1.00 0.00 H new ATOM 0 HG22 ILE B 52 4.311 0.888 10.117 1.00 0.00 H new ATOM 0 HG23 ILE B 52 2.704 1.386 9.537 1.00 0.00 H new ATOM 0 HD11 ILE B 52 1.246 -1.930 7.087 1.00 0.00 H new ATOM 0 HD12 ILE B 52 2.933 -2.386 7.427 1.00 0.00 H new ATOM 0 HD13 ILE B 52 1.896 -1.771 8.736 1.00 0.00 H new ATOM 1649 N LYS B 53 6.813 1.490 8.090 1.00 0.00 N ATOM 1650 CA LYS B 53 7.997 2.035 8.740 1.00 0.00 C ATOM 1651 C LYS B 53 8.318 3.434 8.197 1.00 0.00 C ATOM 1652 O LYS B 53 8.678 4.323 8.967 1.00 0.00 O ATOM 1653 CB LYS B 53 9.171 1.066 8.532 1.00 0.00 C ATOM 1654 CG LYS B 53 10.469 1.528 9.202 1.00 0.00 C ATOM 1655 CD LYS B 53 11.568 0.484 8.964 1.00 0.00 C ATOM 1656 CE LYS B 53 12.913 0.914 9.559 1.00 0.00 C ATOM 1657 NZ LYS B 53 13.481 2.075 8.851 1.00 0.00 N ATOM 0 H LYS B 53 6.995 0.635 7.564 1.00 0.00 H new ATOM 0 HA LYS B 53 7.814 2.142 9.809 1.00 0.00 H new ATOM 0 HB2 LYS B 53 8.897 0.086 8.924 1.00 0.00 H new ATOM 0 HB3 LYS B 53 9.346 0.944 7.463 1.00 0.00 H new ATOM 0 HG2 LYS B 53 10.776 2.493 8.798 1.00 0.00 H new ATOM 0 HG3 LYS B 53 10.309 1.666 10.271 1.00 0.00 H new ATOM 0 HD2 LYS B 53 11.265 -0.466 9.404 1.00 0.00 H new ATOM 0 HD3 LYS B 53 11.683 0.318 7.893 1.00 0.00 H new ATOM 0 HE2 LYS B 53 12.782 1.160 10.613 1.00 0.00 H new ATOM 0 HE3 LYS B 53 13.614 0.081 9.511 1.00 0.00 H new ATOM 0 HZ1 LYS B 53 14.441 2.261 9.204 1.00 0.00 H new ATOM 0 HZ2 LYS B 53 13.520 1.875 7.831 1.00 0.00 H new ATOM 0 HZ3 LYS B 53 12.883 2.910 9.017 1.00 0.00 H new ATOM 1671 N LYS B 54 8.168 3.625 6.878 1.00 0.00 N ATOM 1672 CA LYS B 54 8.449 4.873 6.181 1.00 0.00 C ATOM 1673 C LYS B 54 7.243 5.826 6.116 1.00 0.00 C ATOM 1674 O LYS B 54 7.413 6.963 5.679 1.00 0.00 O ATOM 1675 CB LYS B 54 8.997 4.558 4.783 1.00 0.00 C ATOM 1676 CG LYS B 54 10.271 3.693 4.789 1.00 0.00 C ATOM 1677 CD LYS B 54 11.467 4.367 5.469 1.00 0.00 C ATOM 1678 CE LYS B 54 12.717 3.496 5.305 1.00 0.00 C ATOM 1679 NZ LYS B 54 13.878 4.091 5.986 1.00 0.00 N ATOM 0 H LYS B 54 7.837 2.888 6.255 1.00 0.00 H new ATOM 0 HA LYS B 54 9.202 5.410 6.758 1.00 0.00 H new ATOM 0 HB2 LYS B 54 8.225 4.046 4.209 1.00 0.00 H new ATOM 0 HB3 LYS B 54 9.209 5.495 4.268 1.00 0.00 H new ATOM 0 HG2 LYS B 54 10.059 2.752 5.296 1.00 0.00 H new ATOM 0 HG3 LYS B 54 10.539 3.448 3.761 1.00 0.00 H new ATOM 0 HD2 LYS B 54 11.638 5.351 5.032 1.00 0.00 H new ATOM 0 HD3 LYS B 54 11.256 4.521 6.527 1.00 0.00 H new ATOM 0 HE2 LYS B 54 12.526 2.502 5.710 1.00 0.00 H new ATOM 0 HE3 LYS B 54 12.939 3.371 4.245 1.00 0.00 H new ATOM 0 HZ1 LYS B 54 14.708 3.478 5.857 1.00 0.00 H new ATOM 0 HZ2 LYS B 54 14.074 5.029 5.582 1.00 0.00 H new ATOM 0 HZ3 LYS B 54 13.673 4.187 7.001 1.00 0.00 H new ATOM 1693 N GLY B 55 6.048 5.394 6.550 1.00 0.00 N ATOM 1694 CA GLY B 55 4.846 6.221 6.601 1.00 0.00 C ATOM 1695 C GLY B 55 3.761 5.980 5.542 1.00 0.00 C ATOM 1696 O GLY B 55 2.690 6.565 5.694 1.00 0.00 O ATOM 0 H GLY B 55 5.894 4.441 6.880 1.00 0.00 H new ATOM 0 HA2 GLY B 55 4.390 6.088 7.582 1.00 0.00 H new ATOM 0 HA3 GLY B 55 5.155 7.264 6.532 1.00 0.00 H new ATOM 1700 N ALA B 56 3.976 5.172 4.489 1.00 0.00 N ATOM 1701 CA ALA B 56 2.935 4.912 3.494 1.00 0.00 C ATOM 1702 C ALA B 56 1.639 4.351 4.104 1.00 0.00 C ATOM 1703 O ALA B 56 0.585 4.966 3.978 1.00 0.00 O ATOM 1704 CB ALA B 56 3.476 3.936 2.446 1.00 0.00 C ATOM 0 H ALA B 56 4.858 4.693 4.310 1.00 0.00 H new ATOM 0 HA ALA B 56 2.677 5.869 3.039 1.00 0.00 H new ATOM 0 HB1 ALA B 56 2.705 3.738 1.701 1.00 0.00 H new ATOM 0 HB2 ALA B 56 4.348 4.372 1.959 1.00 0.00 H new ATOM 0 HB3 ALA B 56 3.761 3.002 2.931 1.00 0.00 H new ATOM 1710 N LEU B 57 1.715 3.185 4.752 1.00 0.00 N ATOM 1711 CA LEU B 57 0.596 2.439 5.331 1.00 0.00 C ATOM 1712 C LEU B 57 0.601 2.458 6.864 1.00 0.00 C ATOM 1713 O LEU B 57 1.548 2.944 7.476 1.00 0.00 O ATOM 1714 CB LEU B 57 0.627 1.002 4.786 1.00 0.00 C ATOM 1715 CG LEU B 57 -0.292 0.782 3.575 1.00 0.00 C ATOM 1716 CD1 LEU B 57 0.041 1.661 2.359 1.00 0.00 C ATOM 1717 CD2 LEU B 57 -0.177 -0.689 3.172 1.00 0.00 C ATOM 0 H LEU B 57 2.607 2.711 4.894 1.00 0.00 H new ATOM 0 HA LEU B 57 -0.333 2.926 5.036 1.00 0.00 H new ATOM 0 HB2 LEU B 57 1.650 0.751 4.505 1.00 0.00 H new ATOM 0 HB3 LEU B 57 0.337 0.315 5.581 1.00 0.00 H new ATOM 0 HG LEU B 57 -1.301 1.062 3.877 1.00 0.00 H new ATOM 0 HD11 LEU B 57 -0.656 1.442 1.550 1.00 0.00 H new ATOM 0 HD12 LEU B 57 -0.043 2.712 2.636 1.00 0.00 H new ATOM 0 HD13 LEU B 57 1.059 1.454 2.028 1.00 0.00 H new ATOM 0 HD21 LEU B 57 -0.819 -0.882 2.312 1.00 0.00 H new ATOM 0 HD22 LEU B 57 0.857 -0.915 2.911 1.00 0.00 H new ATOM 0 HD23 LEU B 57 -0.487 -1.320 4.005 1.00 0.00 H new ATOM 1729 N ASN B 58 -0.510 2.034 7.490 1.00 0.00 N ATOM 1730 CA ASN B 58 -0.638 1.926 8.940 1.00 0.00 C ATOM 1731 C ASN B 58 -1.421 0.669 9.353 1.00 0.00 C ATOM 1732 O ASN B 58 -2.599 0.575 9.005 1.00 0.00 O ATOM 1733 CB ASN B 58 -1.334 3.192 9.443 1.00 0.00 C ATOM 1734 CG ASN B 58 -1.348 3.261 10.968 1.00 0.00 C ATOM 1735 OD1 ASN B 58 -2.376 3.009 11.593 1.00 0.00 O ATOM 1736 ND2 ASN B 58 -0.205 3.601 11.569 1.00 0.00 N ATOM 0 H ASN B 58 -1.353 1.754 6.989 1.00 0.00 H new ATOM 0 HA ASN B 58 0.352 1.831 9.387 1.00 0.00 H new ATOM 0 HB2 ASN B 58 -0.826 4.070 9.044 1.00 0.00 H new ATOM 0 HB3 ASN B 58 -2.357 3.218 9.068 1.00 0.00 H new ATOM 0 HD21 ASN B 58 -0.162 3.660 12.586 1.00 0.00 H new ATOM 0 HD22 ASN B 58 0.625 3.802 11.011 1.00 0.00 H new ATOM 1743 N HIS B 59 -0.816 -0.271 10.113 1.00 0.00 N ATOM 1744 CA HIS B 59 -1.515 -1.464 10.588 1.00 0.00 C ATOM 1745 C HIS B 59 -2.089 -1.263 11.987 1.00 0.00 C ATOM 1746 O HIS B 59 -1.436 -0.701 12.865 1.00 0.00 O ATOM 1747 CB HIS B 59 -0.617 -2.708 10.582 1.00 0.00 C ATOM 1748 CG HIS B 59 0.817 -2.582 11.039 1.00 0.00 C ATOM 1749 ND1 HIS B 59 1.206 -1.759 12.095 1.00 0.00 N ATOM 1750 CD2 HIS B 59 1.918 -3.256 10.575 1.00 0.00 C ATOM 1751 CE1 HIS B 59 2.523 -1.950 12.211 1.00 0.00 C ATOM 1752 NE2 HIS B 59 3.000 -2.833 11.318 1.00 0.00 N ATOM 0 H HIS B 59 0.159 -0.217 10.406 1.00 0.00 H new ATOM 0 HA HIS B 59 -2.334 -1.627 9.887 1.00 0.00 H new ATOM 0 HB2 HIS B 59 -1.096 -3.462 11.207 1.00 0.00 H new ATOM 0 HB3 HIS B 59 -0.604 -3.099 9.565 1.00 0.00 H new ATOM 0 HD1 HIS B 59 0.615 -1.146 12.656 1.00 0.00 H new ATOM 0 HD2 HIS B 59 1.934 -3.983 9.776 1.00 0.00 H new ATOM 0 HE1 HIS B 59 3.138 -1.449 12.944 1.00 0.00 H new ATOM 1760 N HIS B 60 -3.342 -1.701 12.160 1.00 0.00 N ATOM 1761 CA HIS B 60 -4.050 -1.648 13.436 1.00 0.00 C ATOM 1762 C HIS B 60 -5.008 -2.830 13.583 1.00 0.00 C ATOM 1763 O HIS B 60 -5.663 -3.202 12.612 1.00 0.00 O ATOM 1764 CB HIS B 60 -4.723 -0.286 13.643 1.00 0.00 C ATOM 1765 CG HIS B 60 -5.469 0.235 12.444 1.00 0.00 C ATOM 1766 ND1 HIS B 60 -6.596 -0.410 11.939 1.00 0.00 N ATOM 1767 CD2 HIS B 60 -5.207 1.340 11.679 1.00 0.00 C ATOM 1768 CE1 HIS B 60 -6.974 0.334 10.898 1.00 0.00 C ATOM 1769 NE2 HIS B 60 -6.177 1.397 10.705 1.00 0.00 N ATOM 0 H HIS B 60 -3.896 -2.107 11.406 1.00 0.00 H new ATOM 0 HA HIS B 60 -3.322 -1.747 14.241 1.00 0.00 H new ATOM 0 HB2 HIS B 60 -5.416 -0.362 14.481 1.00 0.00 H new ATOM 0 HB3 HIS B 60 -3.962 0.441 13.925 1.00 0.00 H new ATOM 0 HD2 HIS B 60 -4.392 2.036 11.815 1.00 0.00 H new ATOM 0 HE1 HIS B 60 -7.828 0.106 10.278 1.00 0.00 H new ATOM 0 HE2 HIS B 60 -6.272 2.107 9.979 1.00 0.00 H new ATOM 1777 N LYS B 61 -5.122 -3.381 14.802 1.00 0.00 N ATOM 1778 CA LYS B 61 -5.961 -4.535 15.109 1.00 0.00 C ATOM 1779 C LYS B 61 -7.396 -4.075 15.364 1.00 0.00 C ATOM 1780 O LYS B 61 -7.652 -3.348 16.322 1.00 0.00 O ATOM 1781 CB LYS B 61 -5.361 -5.300 16.295 1.00 0.00 C ATOM 1782 CG LYS B 61 -6.031 -6.668 16.466 1.00 0.00 C ATOM 1783 CD LYS B 61 -5.269 -7.499 17.502 1.00 0.00 C ATOM 1784 CE LYS B 61 -5.891 -8.890 17.647 1.00 0.00 C ATOM 1785 NZ LYS B 61 -5.128 -9.712 18.600 1.00 0.00 N ATOM 0 H LYS B 61 -4.620 -3.024 15.615 1.00 0.00 H new ATOM 0 HA LYS B 61 -5.993 -5.222 14.263 1.00 0.00 H new ATOM 0 HB2 LYS B 61 -4.290 -5.433 16.142 1.00 0.00 H new ATOM 0 HB3 LYS B 61 -5.482 -4.716 17.207 1.00 0.00 H new ATOM 0 HG2 LYS B 61 -7.066 -6.538 16.782 1.00 0.00 H new ATOM 0 HG3 LYS B 61 -6.053 -7.193 15.511 1.00 0.00 H new ATOM 0 HD2 LYS B 61 -4.225 -7.592 17.204 1.00 0.00 H new ATOM 0 HD3 LYS B 61 -5.281 -6.988 18.465 1.00 0.00 H new ATOM 0 HE2 LYS B 61 -6.923 -8.797 17.986 1.00 0.00 H new ATOM 0 HE3 LYS B 61 -5.918 -9.383 16.675 1.00 0.00 H new ATOM 0 HZ1 LYS B 61 -5.570 -10.650 18.681 1.00 0.00 H new ATOM 0 HZ2 LYS B 61 -4.150 -9.818 18.262 1.00 0.00 H new ATOM 0 HZ3 LYS B 61 -5.124 -9.250 19.532 1.00 0.00 H new ATOM 1799 N GLU B 62 -8.318 -4.506 14.487 1.00 0.00 N ATOM 1800 CA GLU B 62 -9.727 -4.128 14.508 1.00 0.00 C ATOM 1801 C GLU B 62 -10.650 -5.335 14.694 1.00 0.00 C ATOM 1802 O GLU B 62 -10.813 -6.134 13.773 1.00 0.00 O ATOM 1803 CB GLU B 62 -10.085 -3.405 13.197 1.00 0.00 C ATOM 1804 CG GLU B 62 -9.190 -2.199 12.884 1.00 0.00 C ATOM 1805 CD GLU B 62 -9.199 -1.152 13.995 1.00 0.00 C ATOM 1806 OE1 GLU B 62 -10.283 -0.570 14.220 1.00 0.00 O ATOM 1807 OE2 GLU B 62 -8.124 -0.949 14.600 1.00 0.00 O ATOM 0 H GLU B 62 -8.090 -5.145 13.725 1.00 0.00 H new ATOM 0 HA GLU B 62 -9.876 -3.466 15.361 1.00 0.00 H new ATOM 0 HB2 GLU B 62 -10.020 -4.116 12.373 1.00 0.00 H new ATOM 0 HB3 GLU B 62 -11.121 -3.071 13.250 1.00 0.00 H new ATOM 0 HG2 GLU B 62 -8.168 -2.543 12.723 1.00 0.00 H new ATOM 0 HG3 GLU B 62 -9.522 -1.738 11.954 1.00 0.00 H new ATOM 1814 N GLY B 63 -11.274 -5.439 15.876 1.00 0.00 N ATOM 1815 CA GLY B 63 -12.233 -6.475 16.238 1.00 0.00 C ATOM 1816 C GLY B 63 -11.734 -7.892 15.965 1.00 0.00 C ATOM 1817 O GLY B 63 -11.094 -8.495 16.825 1.00 0.00 O ATOM 0 H GLY B 63 -11.113 -4.773 16.632 1.00 0.00 H new ATOM 0 HA2 GLY B 63 -12.474 -6.381 17.297 1.00 0.00 H new ATOM 0 HA3 GLY B 63 -13.158 -6.312 15.685 1.00 0.00 H new ATOM 1821 N ARG B 64 -12.049 -8.419 14.773 1.00 0.00 N ATOM 1822 CA ARG B 64 -11.669 -9.759 14.351 1.00 0.00 C ATOM 1823 C ARG B 64 -10.155 -9.842 14.158 1.00 0.00 C ATOM 1824 O ARG B 64 -9.453 -10.275 15.071 1.00 0.00 O ATOM 1825 CB ARG B 64 -12.447 -10.171 13.100 1.00 0.00 C ATOM 1826 CG ARG B 64 -13.946 -10.287 13.408 1.00 0.00 C ATOM 1827 CD ARG B 64 -14.721 -10.882 12.253 1.00 0.00 C ATOM 1828 NE ARG B 64 -14.596 -10.087 11.024 1.00 0.00 N ATOM 1829 CZ ARG B 64 -15.044 -10.471 9.817 1.00 0.00 C ATOM 1830 NH1 ARG B 64 -15.661 -11.651 9.652 1.00 0.00 N ATOM 1831 NH2 ARG B 64 -14.872 -9.663 8.762 1.00 0.00 N ATOM 0 H ARG B 64 -12.584 -7.911 14.069 1.00 0.00 H new ATOM 0 HA ARG B 64 -11.933 -10.472 15.132 1.00 0.00 H new ATOM 0 HB2 ARG B 64 -12.289 -9.438 12.309 1.00 0.00 H new ATOM 0 HB3 ARG B 64 -12.072 -11.125 12.730 1.00 0.00 H new ATOM 0 HG2 ARG B 64 -14.086 -10.905 14.295 1.00 0.00 H new ATOM 0 HG3 ARG B 64 -14.345 -9.300 13.641 1.00 0.00 H new ATOM 0 HD2 ARG B 64 -14.366 -11.895 12.064 1.00 0.00 H new ATOM 0 HD3 ARG B 64 -15.773 -10.959 12.527 1.00 0.00 H new ATOM 0 HE ARG B 64 -14.136 -9.179 11.092 1.00 0.00 H new ATOM 0 HH11 ARG B 64 -15.796 -12.272 10.450 1.00 0.00 H new ATOM 0 HH12 ARG B 64 -15.995 -11.927 8.729 1.00 0.00 H new ATOM 0 HH21 ARG B 64 -14.404 -8.764 8.879 1.00 0.00 H new ATOM 0 HH22 ARG B 64 -15.209 -9.947 7.842 1.00 0.00 H new ATOM 1845 N VAL B 65 -9.650 -9.440 12.983 1.00 0.00 N ATOM 1846 CA VAL B 65 -8.263 -9.426 12.626 1.00 0.00 C ATOM 1847 C VAL B 65 -7.943 -7.981 12.216 1.00 0.00 C ATOM 1848 O VAL B 65 -8.832 -7.134 12.126 1.00 0.00 O ATOM 1849 CB VAL B 65 -8.010 -10.522 11.579 1.00 0.00 C ATOM 1850 CG1 VAL B 65 -8.294 -11.910 12.170 1.00 0.00 C ATOM 1851 CG2 VAL B 65 -8.832 -10.354 10.284 1.00 0.00 C ATOM 0 H VAL B 65 -10.248 -9.101 12.229 1.00 0.00 H new ATOM 0 HA VAL B 65 -7.575 -9.678 13.433 1.00 0.00 H new ATOM 0 HB VAL B 65 -6.959 -10.424 11.308 1.00 0.00 H new ATOM 0 HG11 VAL B 65 -8.109 -12.672 11.413 1.00 0.00 H new ATOM 0 HG12 VAL B 65 -7.641 -12.082 13.025 1.00 0.00 H new ATOM 0 HG13 VAL B 65 -9.334 -11.963 12.491 1.00 0.00 H new ATOM 0 HG21 VAL B 65 -8.597 -11.166 9.596 1.00 0.00 H new ATOM 0 HG22 VAL B 65 -9.895 -10.376 10.523 1.00 0.00 H new ATOM 0 HG23 VAL B 65 -8.585 -9.400 9.817 1.00 0.00 H new ATOM 1861 N PHE B 66 -6.669 -7.695 11.965 1.00 0.00 N ATOM 1862 CA PHE B 66 -6.148 -6.363 11.697 1.00 0.00 C ATOM 1863 C PHE B 66 -6.345 -5.877 10.269 1.00 0.00 C ATOM 1864 O PHE B 66 -6.548 -6.660 9.343 1.00 0.00 O ATOM 1865 CB PHE B 66 -4.671 -6.258 12.081 1.00 0.00 C ATOM 1866 CG PHE B 66 -3.758 -6.233 10.873 1.00 0.00 C ATOM 1867 CD1 PHE B 66 -3.831 -7.295 9.967 1.00 0.00 C ATOM 1868 CD2 PHE B 66 -3.211 -5.017 10.438 1.00 0.00 C ATOM 1869 CE1 PHE B 66 -3.166 -7.258 8.755 1.00 0.00 C ATOM 1870 CE2 PHE B 66 -2.683 -4.918 9.144 1.00 0.00 C ATOM 1871 CZ PHE B 66 -2.601 -6.057 8.331 1.00 0.00 C ATOM 0 H PHE B 66 -5.946 -8.414 11.942 1.00 0.00 H new ATOM 0 HA PHE B 66 -6.746 -5.704 12.327 1.00 0.00 H new ATOM 0 HB2 PHE B 66 -4.515 -5.353 12.669 1.00 0.00 H new ATOM 0 HB3 PHE B 66 -4.403 -7.102 12.717 1.00 0.00 H new ATOM 0 HD1 PHE B 66 -4.420 -8.164 10.219 1.00 0.00 H new ATOM 0 HD2 PHE B 66 -3.197 -4.161 11.097 1.00 0.00 H new ATOM 0 HE1 PHE B 66 -3.086 -8.147 8.146 1.00 0.00 H new ATOM 0 HE2 PHE B 66 -2.339 -3.964 8.773 1.00 0.00 H new ATOM 0 HZ PHE B 66 -2.100 -6.004 7.376 1.00 0.00 H new ATOM 1881 N VAL B 67 -6.392 -4.553 10.143 1.00 0.00 N ATOM 1882 CA VAL B 67 -6.513 -3.892 8.871 1.00 0.00 C ATOM 1883 C VAL B 67 -5.303 -2.998 8.590 1.00 0.00 C ATOM 1884 O VAL B 67 -4.923 -2.170 9.418 1.00 0.00 O ATOM 1885 CB VAL B 67 -7.825 -3.099 8.873 1.00 0.00 C ATOM 1886 CG1 VAL B 67 -8.084 -2.432 7.521 1.00 0.00 C ATOM 1887 CG2 VAL B 67 -8.977 -4.058 9.179 1.00 0.00 C ATOM 0 H VAL B 67 -6.346 -3.913 10.936 1.00 0.00 H new ATOM 0 HA VAL B 67 -6.535 -4.627 8.067 1.00 0.00 H new ATOM 0 HB VAL B 67 -7.752 -2.317 9.629 1.00 0.00 H new ATOM 0 HG11 VAL B 67 -9.023 -1.879 7.562 1.00 0.00 H new ATOM 0 HG12 VAL B 67 -7.269 -1.746 7.292 1.00 0.00 H new ATOM 0 HG13 VAL B 67 -8.145 -3.195 6.745 1.00 0.00 H new ATOM 0 HG21 VAL B 67 -9.918 -3.507 9.184 1.00 0.00 H new ATOM 0 HG22 VAL B 67 -9.016 -4.835 8.416 1.00 0.00 H new ATOM 0 HG23 VAL B 67 -8.820 -4.516 10.156 1.00 0.00 H new ATOM 1897 N TYR B 68 -4.819 -3.098 7.346 1.00 0.00 N ATOM 1898 CA TYR B 68 -3.758 -2.250 6.798 1.00 0.00 C ATOM 1899 C TYR B 68 -4.534 -1.134 6.094 1.00 0.00 C ATOM 1900 O TYR B 68 -5.344 -1.403 5.205 1.00 0.00 O ATOM 1901 CB TYR B 68 -3.018 -2.919 5.615 1.00 0.00 C ATOM 1902 CG TYR B 68 -1.892 -3.896 5.855 1.00 0.00 C ATOM 1903 CD1 TYR B 68 -0.823 -3.571 6.709 1.00 0.00 C ATOM 1904 CD2 TYR B 68 -1.797 -5.036 5.034 1.00 0.00 C ATOM 1905 CE1 TYR B 68 0.218 -4.495 6.912 1.00 0.00 C ATOM 1906 CE2 TYR B 68 -0.730 -5.932 5.196 1.00 0.00 C ATOM 1907 CZ TYR B 68 0.251 -5.690 6.172 1.00 0.00 C ATOM 1908 OH TYR B 68 1.239 -6.606 6.388 1.00 0.00 O ATOM 0 H TYR B 68 -5.164 -3.788 6.678 1.00 0.00 H new ATOM 0 HA TYR B 68 -3.057 -1.987 7.590 1.00 0.00 H new ATOM 0 HB2 TYR B 68 -3.770 -3.438 5.021 1.00 0.00 H new ATOM 0 HB3 TYR B 68 -2.618 -2.117 4.994 1.00 0.00 H new ATOM 0 HD1 TYR B 68 -0.801 -2.614 7.208 1.00 0.00 H new ATOM 0 HD2 TYR B 68 -2.547 -5.221 4.279 1.00 0.00 H new ATOM 0 HE1 TYR B 68 0.992 -4.287 7.636 1.00 0.00 H new ATOM 0 HE2 TYR B 68 -0.663 -6.809 4.570 1.00 0.00 H new ATOM 0 HH TYR B 68 1.110 -7.373 5.792 1.00 0.00 H new ATOM 1918 N THR B 69 -4.289 0.116 6.514 1.00 0.00 N ATOM 1919 CA THR B 69 -4.955 1.294 5.978 1.00 0.00 C ATOM 1920 C THR B 69 -3.959 2.241 5.302 1.00 0.00 C ATOM 1921 O THR B 69 -3.008 2.675 5.952 1.00 0.00 O ATOM 1922 CB THR B 69 -5.723 2.039 7.071 1.00 0.00 C ATOM 1923 OG1 THR B 69 -4.875 2.417 8.138 1.00 0.00 O ATOM 1924 CG2 THR B 69 -6.889 1.202 7.600 1.00 0.00 C ATOM 0 H THR B 69 -3.612 0.331 7.246 1.00 0.00 H new ATOM 0 HA THR B 69 -5.664 0.947 5.227 1.00 0.00 H new ATOM 0 HB THR B 69 -6.124 2.945 6.616 1.00 0.00 H new ATOM 0 HG1 THR B 69 -4.003 2.688 7.783 1.00 0.00 H new ATOM 0 HG21 THR B 69 -7.415 1.759 8.375 1.00 0.00 H new ATOM 0 HG22 THR B 69 -7.576 0.979 6.784 1.00 0.00 H new ATOM 0 HG23 THR B 69 -6.508 0.270 8.018 1.00 0.00 H new ATOM 1932 N PRO B 70 -4.166 2.581 4.017 1.00 0.00 N ATOM 1933 CA PRO B 70 -3.333 3.515 3.277 1.00 0.00 C ATOM 1934 C PRO B 70 -3.339 4.888 3.952 1.00 0.00 C ATOM 1935 O PRO B 70 -4.341 5.600 3.902 1.00 0.00 O ATOM 1936 CB PRO B 70 -3.918 3.564 1.859 1.00 0.00 C ATOM 1937 CG PRO B 70 -4.577 2.196 1.719 1.00 0.00 C ATOM 1938 CD PRO B 70 -5.115 1.944 3.121 1.00 0.00 C ATOM 0 HA PRO B 70 -2.289 3.202 3.248 1.00 0.00 H new ATOM 0 HB2 PRO B 70 -4.639 4.374 1.746 1.00 0.00 H new ATOM 0 HB3 PRO B 70 -3.144 3.719 1.107 1.00 0.00 H new ATOM 0 HG2 PRO B 70 -5.373 2.203 0.974 1.00 0.00 H new ATOM 0 HG3 PRO B 70 -3.863 1.431 1.415 1.00 0.00 H new ATOM 0 HD2 PRO B 70 -6.113 2.366 3.241 1.00 0.00 H new ATOM 0 HD3 PRO B 70 -5.194 0.876 3.326 1.00 0.00 H new ATOM 1946 N ASN B 71 -2.223 5.250 4.598 1.00 0.00 N ATOM 1947 CA ASN B 71 -2.076 6.528 5.282 1.00 0.00 C ATOM 1948 C ASN B 71 -1.890 7.688 4.290 1.00 0.00 C ATOM 1949 O ASN B 71 -1.913 8.845 4.708 1.00 0.00 O ATOM 1950 CB ASN B 71 -0.922 6.443 6.295 1.00 0.00 C ATOM 1951 CG ASN B 71 -0.986 7.548 7.347 1.00 0.00 C ATOM 1952 OD1 ASN B 71 -0.217 8.506 7.292 1.00 0.00 O ATOM 1953 ND2 ASN B 71 -1.899 7.412 8.313 1.00 0.00 N ATOM 0 H ASN B 71 -1.396 4.656 4.657 1.00 0.00 H new ATOM 0 HA ASN B 71 -2.996 6.741 5.826 1.00 0.00 H new ATOM 0 HB2 ASN B 71 -0.948 5.472 6.790 1.00 0.00 H new ATOM 0 HB3 ASN B 71 0.028 6.505 5.765 1.00 0.00 H new ATOM 0 HD21 ASN B 71 -1.978 8.120 9.043 1.00 0.00 H new ATOM 0 HD22 ASN B 71 -2.517 6.601 8.320 1.00 0.00 H new ATOM 1960 N ILE B 72 -1.729 7.387 2.989 1.00 0.00 N ATOM 1961 CA ILE B 72 -1.549 8.357 1.915 1.00 0.00 C ATOM 1962 C ILE B 72 -2.768 8.349 0.988 1.00 0.00 C ATOM 1963 O ILE B 72 -3.084 7.337 0.365 1.00 0.00 O ATOM 1964 CB ILE B 72 -0.210 8.149 1.172 1.00 0.00 C ATOM 1965 CG1 ILE B 72 -0.078 6.942 0.216 1.00 0.00 C ATOM 1966 CG2 ILE B 72 0.952 8.178 2.171 1.00 0.00 C ATOM 1967 CD1 ILE B 72 -0.436 5.565 0.776 1.00 0.00 C ATOM 0 H ILE B 72 -1.722 6.424 2.653 1.00 0.00 H new ATOM 0 HA ILE B 72 -1.483 9.355 2.348 1.00 0.00 H new ATOM 0 HB ILE B 72 -0.179 8.992 0.482 1.00 0.00 H new ATOM 0 HG12 ILE B 72 -0.710 7.128 -0.652 1.00 0.00 H new ATOM 0 HG13 ILE B 72 0.951 6.905 -0.141 1.00 0.00 H new ATOM 0 HG21 ILE B 72 1.892 8.031 1.640 1.00 0.00 H new ATOM 0 HG22 ILE B 72 0.970 9.142 2.680 1.00 0.00 H new ATOM 0 HG23 ILE B 72 0.821 7.382 2.904 1.00 0.00 H new ATOM 0 HD11 ILE B 72 -0.299 4.810 0.001 1.00 0.00 H new ATOM 0 HD12 ILE B 72 0.211 5.337 1.623 1.00 0.00 H new ATOM 0 HD13 ILE B 72 -1.476 5.564 1.103 1.00 0.00 H new