USER MOD reduce.3.24.130724 H: found=0, std=0, add=581, rem=0, adj=19 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= 0.0384 X(o=0.64,f=0.47) USER MOD Set 1.2: B 69 THR OG1 : rot 27:sc= 0.603 USER MOD Set 2.1: B 36 THR OG1 : rot 180:sc= -0.0126 USER MOD Set 2.2: B 37 SER OG : rot 171:sc= 0.056 USER MOD Set 3.1: B 25 ASN : amide:sc= -0.0352 X(o=-0.075,f=-0.27) USER MOD Set 3.2: B 27 ASN : amide:sc= -0.0402 X(o=-0.075,f=-0.035) USER MOD Single : B 6 GLN : amide:sc= -0.129 X(o=-0.13,f=-0.13) USER MOD Single : B 8 SER OG : rot 180:sc= 0 USER MOD Single : B 15 MET CE :methyl -172:sc= 0 (180deg=-0.0592) USER MOD Single : B 16 LYS NZ :NH3+ 175:sc=-0.00321 (180deg=-0.0554) USER MOD Single : B 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 21 HIS :FLIP no HE2:sc= -2.72! C(o=-6.5!,f=-2.7!) USER MOD Single : B 22 SER OG : rot 180:sc= 0 USER MOD Single : B 23 SER OG : rot 180:sc= 0 USER MOD Single : B 26 THR OG1 : rot 180:sc= 0.154 USER MOD Single : B 31 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0812) USER MOD Single : B 34 SER OG : rot 55:sc= 0.19 USER MOD Single : B 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 38 THR OG1 : rot 180:sc= 0.00951 USER MOD Single : B 40 SER OG : rot 180:sc= -0.17 USER MOD Single : B 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 43 THR OG1 : rot 180:sc= 0 USER MOD Single : B 45 GLN : amide:sc= -0.0113 K(o=-0.011,f=-1.8) USER MOD Single : B 46 THR OG1 : rot 93:sc= 0.0564 USER MOD Single : B 47 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 54 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0524) USER MOD Single : B 59 HIS : no HE2:sc= -0.3 K(o=-0.3,f=-1.8) USER MOD Single : B 60 HIS : no HD1:sc= 0.101 K(o=0.1,f=-0.5) USER MOD Single : B 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 68 TYR OH : rot 120:sc= 0 USER MOD Single : B 71 ASN : amide:sc= 0.315 X(o=0.31,f=-0.038) USER MOD ----------------------------------------------------------------- ATOM 851 N PRO B 5 6.901 8.988 -1.651 1.00 0.00 N ATOM 852 CA PRO B 5 7.239 7.605 -1.967 1.00 0.00 C ATOM 853 C PRO B 5 7.664 7.434 -3.427 1.00 0.00 C ATOM 854 O PRO B 5 6.994 7.943 -4.325 1.00 0.00 O ATOM 855 CB PRO B 5 5.984 6.780 -1.658 1.00 0.00 C ATOM 856 CG PRO B 5 5.270 7.621 -0.608 1.00 0.00 C ATOM 857 CD PRO B 5 5.576 9.048 -1.052 1.00 0.00 C ATOM 0 HA PRO B 5 8.093 7.275 -1.375 1.00 0.00 H new ATOM 0 HB2 PRO B 5 5.368 6.635 -2.546 1.00 0.00 H new ATOM 0 HB3 PRO B 5 6.236 5.790 -1.279 1.00 0.00 H new ATOM 0 HG2 PRO B 5 4.198 7.423 -0.592 1.00 0.00 H new ATOM 0 HG3 PRO B 5 5.646 7.420 0.395 1.00 0.00 H new ATOM 0 HD2 PRO B 5 4.836 9.404 -1.769 1.00 0.00 H new ATOM 0 HD3 PRO B 5 5.557 9.736 -0.206 1.00 0.00 H new ATOM 865 N GLN B 6 8.778 6.724 -3.657 1.00 0.00 N ATOM 866 CA GLN B 6 9.305 6.452 -4.987 1.00 0.00 C ATOM 867 C GLN B 6 8.486 5.319 -5.607 1.00 0.00 C ATOM 868 O GLN B 6 8.900 4.161 -5.613 1.00 0.00 O ATOM 869 CB GLN B 6 10.808 6.141 -4.895 1.00 0.00 C ATOM 870 CG GLN B 6 11.462 5.818 -6.248 1.00 0.00 C ATOM 871 CD GLN B 6 11.197 6.890 -7.304 1.00 0.00 C ATOM 872 OE1 GLN B 6 11.904 7.894 -7.361 1.00 0.00 O ATOM 873 NE2 GLN B 6 10.182 6.676 -8.147 1.00 0.00 N ATOM 0 H GLN B 6 9.341 6.320 -2.908 1.00 0.00 H new ATOM 0 HA GLN B 6 9.213 7.321 -5.639 1.00 0.00 H new ATOM 0 HB2 GLN B 6 11.319 6.995 -4.450 1.00 0.00 H new ATOM 0 HB3 GLN B 6 10.954 5.296 -4.222 1.00 0.00 H new ATOM 0 HG2 GLN B 6 12.538 5.709 -6.110 1.00 0.00 H new ATOM 0 HG3 GLN B 6 11.088 4.860 -6.608 1.00 0.00 H new ATOM 0 HE21 GLN B 6 9.620 5.829 -8.064 1.00 0.00 H new ATOM 0 HE22 GLN B 6 9.969 7.360 -8.873 1.00 0.00 H new ATOM 882 N ILE B 7 7.323 5.681 -6.154 1.00 0.00 N ATOM 883 CA ILE B 7 6.371 4.760 -6.749 1.00 0.00 C ATOM 884 C ILE B 7 6.766 4.376 -8.172 1.00 0.00 C ATOM 885 O ILE B 7 7.314 5.172 -8.933 1.00 0.00 O ATOM 886 CB ILE B 7 4.953 5.362 -6.675 1.00 0.00 C ATOM 887 CG1 ILE B 7 4.477 5.266 -5.217 1.00 0.00 C ATOM 888 CG2 ILE B 7 3.964 4.632 -7.599 1.00 0.00 C ATOM 889 CD1 ILE B 7 3.204 6.043 -4.909 1.00 0.00 C ATOM 0 H ILE B 7 7.015 6.653 -6.193 1.00 0.00 H new ATOM 0 HA ILE B 7 6.377 3.831 -6.178 1.00 0.00 H new ATOM 0 HB ILE B 7 4.990 6.399 -7.010 1.00 0.00 H new ATOM 0 HG12 ILE B 7 4.314 4.217 -4.971 1.00 0.00 H new ATOM 0 HG13 ILE B 7 5.273 5.626 -4.565 1.00 0.00 H new ATOM 0 HG21 ILE B 7 2.979 5.091 -7.513 1.00 0.00 H new ATOM 0 HG22 ILE B 7 4.309 4.704 -8.630 1.00 0.00 H new ATOM 0 HG23 ILE B 7 3.902 3.583 -7.309 1.00 0.00 H new ATOM 0 HD11 ILE B 7 2.946 5.916 -3.858 1.00 0.00 H new ATOM 0 HD12 ILE B 7 3.364 7.101 -5.118 1.00 0.00 H new ATOM 0 HD13 ILE B 7 2.390 5.669 -5.530 1.00 0.00 H new ATOM 901 N SER B 8 6.463 3.112 -8.485 1.00 0.00 N ATOM 902 CA SER B 8 6.656 2.439 -9.754 1.00 0.00 C ATOM 903 C SER B 8 5.365 1.669 -10.044 1.00 0.00 C ATOM 904 O SER B 8 4.360 1.859 -9.358 1.00 0.00 O ATOM 905 CB SER B 8 7.868 1.505 -9.639 1.00 0.00 C ATOM 906 OG SER B 8 7.649 0.526 -8.641 1.00 0.00 O ATOM 0 H SER B 8 6.042 2.491 -7.794 1.00 0.00 H new ATOM 0 HA SER B 8 6.856 3.133 -10.570 1.00 0.00 H new ATOM 0 HB2 SER B 8 8.053 1.020 -10.598 1.00 0.00 H new ATOM 0 HB3 SER B 8 8.759 2.085 -9.398 1.00 0.00 H new ATOM 0 HG SER B 8 8.431 -0.062 -8.582 1.00 0.00 H new ATOM 912 N ASP B 9 5.380 0.793 -11.054 1.00 0.00 N ATOM 913 CA ASP B 9 4.224 -0.028 -11.378 1.00 0.00 C ATOM 914 C ASP B 9 3.893 -0.917 -10.179 1.00 0.00 C ATOM 915 O ASP B 9 2.745 -0.965 -9.748 1.00 0.00 O ATOM 916 CB ASP B 9 4.525 -0.858 -12.634 1.00 0.00 C ATOM 917 CG ASP B 9 3.367 -1.778 -13.020 1.00 0.00 C ATOM 918 OD1 ASP B 9 2.221 -1.280 -13.051 1.00 0.00 O ATOM 919 OD2 ASP B 9 3.650 -2.967 -13.284 1.00 0.00 O ATOM 0 H ASP B 9 6.186 0.639 -11.659 1.00 0.00 H new ATOM 0 HA ASP B 9 3.356 0.597 -11.590 1.00 0.00 H new ATOM 0 HB2 ASP B 9 4.744 -0.187 -13.465 1.00 0.00 H new ATOM 0 HB3 ASP B 9 5.419 -1.457 -12.464 1.00 0.00 H new ATOM 924 N ALA B 10 4.914 -1.580 -9.621 1.00 0.00 N ATOM 925 CA ALA B 10 4.782 -2.474 -8.483 1.00 0.00 C ATOM 926 C ALA B 10 4.226 -1.792 -7.239 1.00 0.00 C ATOM 927 O ALA B 10 3.363 -2.374 -6.581 1.00 0.00 O ATOM 928 CB ALA B 10 6.137 -3.120 -8.174 1.00 0.00 C ATOM 0 H ALA B 10 5.872 -1.502 -9.962 1.00 0.00 H new ATOM 0 HA ALA B 10 4.056 -3.237 -8.763 1.00 0.00 H new ATOM 0 HB1 ALA B 10 6.035 -3.790 -7.320 1.00 0.00 H new ATOM 0 HB2 ALA B 10 6.476 -3.687 -9.041 1.00 0.00 H new ATOM 0 HB3 ALA B 10 6.866 -2.344 -7.941 1.00 0.00 H new ATOM 934 N GLU B 11 4.702 -0.582 -6.903 1.00 0.00 N ATOM 935 CA GLU B 11 4.218 0.093 -5.708 1.00 0.00 C ATOM 936 C GLU B 11 2.735 0.425 -5.845 1.00 0.00 C ATOM 937 O GLU B 11 1.946 0.066 -4.978 1.00 0.00 O ATOM 938 CB GLU B 11 5.017 1.362 -5.360 1.00 0.00 C ATOM 939 CG GLU B 11 5.010 1.539 -3.833 1.00 0.00 C ATOM 940 CD GLU B 11 5.711 2.811 -3.357 1.00 0.00 C ATOM 941 OE1 GLU B 11 6.844 3.050 -3.821 1.00 0.00 O ATOM 942 OE2 GLU B 11 5.104 3.523 -2.527 1.00 0.00 O ATOM 0 H GLU B 11 5.405 -0.068 -7.434 1.00 0.00 H new ATOM 0 HA GLU B 11 4.363 -0.604 -4.882 1.00 0.00 H new ATOM 0 HB2 GLU B 11 6.040 1.278 -5.727 1.00 0.00 H new ATOM 0 HB3 GLU B 11 4.575 2.233 -5.844 1.00 0.00 H new ATOM 0 HG2 GLU B 11 3.978 1.551 -3.483 1.00 0.00 H new ATOM 0 HG3 GLU B 11 5.492 0.676 -3.374 1.00 0.00 H new ATOM 949 N LEU B 12 2.368 1.091 -6.946 1.00 0.00 N ATOM 950 CA LEU B 12 1.010 1.526 -7.234 1.00 0.00 C ATOM 951 C LEU B 12 0.044 0.340 -7.352 1.00 0.00 C ATOM 952 O LEU B 12 -1.072 0.425 -6.845 1.00 0.00 O ATOM 953 CB LEU B 12 1.026 2.351 -8.535 1.00 0.00 C ATOM 954 CG LEU B 12 -0.015 3.480 -8.626 1.00 0.00 C ATOM 955 CD1 LEU B 12 0.082 4.104 -10.023 1.00 0.00 C ATOM 956 CD2 LEU B 12 -1.458 3.022 -8.391 1.00 0.00 C ATOM 0 H LEU B 12 3.032 1.346 -7.677 1.00 0.00 H new ATOM 0 HA LEU B 12 0.651 2.139 -6.407 1.00 0.00 H new ATOM 0 HB2 LEU B 12 2.018 2.787 -8.654 1.00 0.00 H new ATOM 0 HB3 LEU B 12 0.873 1.673 -9.375 1.00 0.00 H new ATOM 0 HG LEU B 12 0.214 4.191 -7.832 1.00 0.00 H new ATOM 0 HD11 LEU B 12 -0.647 4.909 -10.113 1.00 0.00 H new ATOM 0 HD12 LEU B 12 1.085 4.504 -10.174 1.00 0.00 H new ATOM 0 HD13 LEU B 12 -0.122 3.343 -10.776 1.00 0.00 H new ATOM 0 HD21 LEU B 12 -2.129 3.877 -8.472 1.00 0.00 H new ATOM 0 HD22 LEU B 12 -1.729 2.276 -9.138 1.00 0.00 H new ATOM 0 HD23 LEU B 12 -1.544 2.587 -7.395 1.00 0.00 H new ATOM 968 N GLU B 13 0.457 -0.762 -8.003 1.00 0.00 N ATOM 969 CA GLU B 13 -0.384 -1.946 -8.177 1.00 0.00 C ATOM 970 C GLU B 13 -0.951 -2.442 -6.845 1.00 0.00 C ATOM 971 O GLU B 13 -2.089 -2.904 -6.795 1.00 0.00 O ATOM 972 CB GLU B 13 0.406 -3.059 -8.875 1.00 0.00 C ATOM 973 CG GLU B 13 0.354 -2.908 -10.400 1.00 0.00 C ATOM 974 CD GLU B 13 1.257 -3.922 -11.100 1.00 0.00 C ATOM 975 OE1 GLU B 13 2.449 -3.983 -10.730 1.00 0.00 O ATOM 976 OE2 GLU B 13 0.741 -4.618 -12.002 1.00 0.00 O ATOM 0 H GLU B 13 1.383 -0.851 -8.421 1.00 0.00 H new ATOM 0 HA GLU B 13 -1.229 -1.663 -8.804 1.00 0.00 H new ATOM 0 HB2 GLU B 13 1.443 -3.036 -8.540 1.00 0.00 H new ATOM 0 HB3 GLU B 13 0.000 -4.030 -8.590 1.00 0.00 H new ATOM 0 HG2 GLU B 13 -0.672 -3.037 -10.744 1.00 0.00 H new ATOM 0 HG3 GLU B 13 0.658 -1.898 -10.676 1.00 0.00 H new ATOM 983 N VAL B 14 -0.160 -2.335 -5.773 1.00 0.00 N ATOM 984 CA VAL B 14 -0.561 -2.715 -4.430 1.00 0.00 C ATOM 985 C VAL B 14 -1.566 -1.700 -3.907 1.00 0.00 C ATOM 986 O VAL B 14 -2.691 -2.076 -3.596 1.00 0.00 O ATOM 987 CB VAL B 14 0.685 -2.810 -3.540 1.00 0.00 C ATOM 988 CG1 VAL B 14 0.362 -2.794 -2.042 1.00 0.00 C ATOM 989 CG2 VAL B 14 1.428 -4.088 -3.907 1.00 0.00 C ATOM 0 H VAL B 14 0.793 -1.974 -5.823 1.00 0.00 H new ATOM 0 HA VAL B 14 -1.043 -3.693 -4.429 1.00 0.00 H new ATOM 0 HB VAL B 14 1.300 -1.928 -3.720 1.00 0.00 H new ATOM 0 HG11 VAL B 14 1.287 -2.864 -1.470 1.00 0.00 H new ATOM 0 HG12 VAL B 14 -0.151 -1.866 -1.790 1.00 0.00 H new ATOM 0 HG13 VAL B 14 -0.280 -3.641 -1.799 1.00 0.00 H new ATOM 0 HG21 VAL B 14 2.320 -4.181 -3.288 1.00 0.00 H new ATOM 0 HG22 VAL B 14 0.779 -4.947 -3.739 1.00 0.00 H new ATOM 0 HG23 VAL B 14 1.717 -4.052 -4.957 1.00 0.00 H new ATOM 999 N MET B 15 -1.160 -0.425 -3.853 1.00 0.00 N ATOM 1000 CA MET B 15 -1.952 0.698 -3.359 1.00 0.00 C ATOM 1001 C MET B 15 -3.365 0.666 -3.923 1.00 0.00 C ATOM 1002 O MET B 15 -4.333 0.868 -3.195 1.00 0.00 O ATOM 1003 CB MET B 15 -1.312 2.031 -3.756 1.00 0.00 C ATOM 1004 CG MET B 15 0.209 2.065 -3.574 1.00 0.00 C ATOM 1005 SD MET B 15 0.966 3.700 -3.727 1.00 0.00 S ATOM 1006 CE MET B 15 0.841 4.241 -2.004 1.00 0.00 C ATOM 0 H MET B 15 -0.232 -0.141 -4.166 1.00 0.00 H new ATOM 0 HA MET B 15 -1.988 0.608 -2.273 1.00 0.00 H new ATOM 0 HB2 MET B 15 -1.549 2.241 -4.799 1.00 0.00 H new ATOM 0 HB3 MET B 15 -1.758 2.829 -3.162 1.00 0.00 H new ATOM 0 HG2 MET B 15 0.450 1.661 -2.591 1.00 0.00 H new ATOM 0 HG3 MET B 15 0.662 1.402 -4.311 1.00 0.00 H new ATOM 0 HE1 MET B 15 1.130 5.289 -1.930 1.00 0.00 H new ATOM 0 HE2 MET B 15 -0.186 4.123 -1.659 1.00 0.00 H new ATOM 0 HE3 MET B 15 1.503 3.637 -1.384 1.00 0.00 H new ATOM 1016 N LYS B 16 -3.446 0.412 -5.232 1.00 0.00 N ATOM 1017 CA LYS B 16 -4.670 0.280 -5.998 1.00 0.00 C ATOM 1018 C LYS B 16 -5.658 -0.649 -5.289 1.00 0.00 C ATOM 1019 O LYS B 16 -6.809 -0.258 -5.112 1.00 0.00 O ATOM 1020 CB LYS B 16 -4.339 -0.226 -7.408 1.00 0.00 C ATOM 1021 CG LYS B 16 -5.589 -0.292 -8.294 1.00 0.00 C ATOM 1022 CD LYS B 16 -5.259 -0.686 -9.741 1.00 0.00 C ATOM 1023 CE LYS B 16 -4.580 -2.056 -9.879 1.00 0.00 C ATOM 1024 NZ LYS B 16 -5.365 -3.133 -9.253 1.00 0.00 N ATOM 0 H LYS B 16 -2.613 0.288 -5.807 1.00 0.00 H new ATOM 0 HA LYS B 16 -5.148 1.256 -6.082 1.00 0.00 H new ATOM 0 HB2 LYS B 16 -3.602 0.432 -7.867 1.00 0.00 H new ATOM 0 HB3 LYS B 16 -3.886 -1.215 -7.343 1.00 0.00 H new ATOM 0 HG2 LYS B 16 -6.291 -1.013 -7.875 1.00 0.00 H new ATOM 0 HG3 LYS B 16 -6.087 0.678 -8.289 1.00 0.00 H new ATOM 0 HD2 LYS B 16 -6.180 -0.689 -10.324 1.00 0.00 H new ATOM 0 HD3 LYS B 16 -4.609 0.075 -10.174 1.00 0.00 H new ATOM 0 HE2 LYS B 16 -4.434 -2.282 -10.935 1.00 0.00 H new ATOM 0 HE3 LYS B 16 -3.591 -2.017 -9.422 1.00 0.00 H new ATOM 0 HZ1 LYS B 16 -4.911 -4.049 -9.444 1.00 0.00 H new ATOM 0 HZ2 LYS B 16 -5.411 -2.977 -8.226 1.00 0.00 H new ATOM 0 HZ3 LYS B 16 -6.328 -3.135 -9.646 1.00 0.00 H new ATOM 1038 N VAL B 17 -5.227 -1.851 -4.865 1.00 0.00 N ATOM 1039 CA VAL B 17 -6.097 -2.789 -4.177 1.00 0.00 C ATOM 1040 C VAL B 17 -6.471 -2.256 -2.794 1.00 0.00 C ATOM 1041 O VAL B 17 -7.642 -2.273 -2.421 1.00 0.00 O ATOM 1042 CB VAL B 17 -5.380 -4.146 -4.075 1.00 0.00 C ATOM 1043 CG1 VAL B 17 -6.059 -5.061 -3.057 1.00 0.00 C ATOM 1044 CG2 VAL B 17 -5.343 -4.858 -5.431 1.00 0.00 C ATOM 0 H VAL B 17 -4.272 -2.186 -4.994 1.00 0.00 H new ATOM 0 HA VAL B 17 -7.023 -2.916 -4.738 1.00 0.00 H new ATOM 0 HB VAL B 17 -4.362 -3.938 -3.747 1.00 0.00 H new ATOM 0 HG11 VAL B 17 -5.527 -6.011 -3.010 1.00 0.00 H new ATOM 0 HG12 VAL B 17 -6.044 -4.588 -2.075 1.00 0.00 H new ATOM 0 HG13 VAL B 17 -7.091 -5.238 -3.358 1.00 0.00 H new ATOM 0 HG21 VAL B 17 -4.830 -5.814 -5.326 1.00 0.00 H new ATOM 0 HG22 VAL B 17 -6.361 -5.029 -5.780 1.00 0.00 H new ATOM 0 HG23 VAL B 17 -4.811 -4.238 -6.153 1.00 0.00 H new ATOM 1054 N ILE B 18 -5.466 -1.799 -2.038 1.00 0.00 N ATOM 1055 CA ILE B 18 -5.621 -1.295 -0.682 1.00 0.00 C ATOM 1056 C ILE B 18 -6.619 -0.136 -0.611 1.00 0.00 C ATOM 1057 O ILE B 18 -7.414 -0.080 0.325 1.00 0.00 O ATOM 1058 CB ILE B 18 -4.243 -0.927 -0.097 1.00 0.00 C ATOM 1059 CG1 ILE B 18 -3.287 -2.135 -0.238 1.00 0.00 C ATOM 1060 CG2 ILE B 18 -4.402 -0.440 1.353 1.00 0.00 C ATOM 1061 CD1 ILE B 18 -2.042 -2.070 0.646 1.00 0.00 C ATOM 0 H ILE B 18 -4.501 -1.772 -2.367 1.00 0.00 H new ATOM 0 HA ILE B 18 -6.046 -2.087 -0.065 1.00 0.00 H new ATOM 0 HB ILE B 18 -3.797 -0.101 -0.652 1.00 0.00 H new ATOM 0 HG12 ILE B 18 -3.837 -3.046 -0.001 1.00 0.00 H new ATOM 0 HG13 ILE B 18 -2.973 -2.213 -1.279 1.00 0.00 H new ATOM 0 HG21 ILE B 18 -3.424 -0.182 1.759 1.00 0.00 H new ATOM 0 HG22 ILE B 18 -5.047 0.439 1.373 1.00 0.00 H new ATOM 0 HG23 ILE B 18 -4.848 -1.231 1.956 1.00 0.00 H new ATOM 0 HD11 ILE B 18 -1.431 -2.958 0.480 1.00 0.00 H new ATOM 0 HD12 ILE B 18 -1.464 -1.180 0.396 1.00 0.00 H new ATOM 0 HD13 ILE B 18 -2.341 -2.026 1.693 1.00 0.00 H new ATOM 1073 N TRP B 19 -6.593 0.771 -1.596 1.00 0.00 N ATOM 1074 CA TRP B 19 -7.484 1.920 -1.648 1.00 0.00 C ATOM 1075 C TRP B 19 -8.954 1.523 -1.836 1.00 0.00 C ATOM 1076 O TRP B 19 -9.830 2.296 -1.449 1.00 0.00 O ATOM 1077 CB TRP B 19 -6.989 2.939 -2.688 1.00 0.00 C ATOM 1078 CG TRP B 19 -5.755 3.722 -2.318 1.00 0.00 C ATOM 1079 CD1 TRP B 19 -5.487 4.226 -1.090 1.00 0.00 C ATOM 1080 CD2 TRP B 19 -4.649 4.172 -3.166 1.00 0.00 C ATOM 1081 NE1 TRP B 19 -4.300 4.925 -1.105 1.00 0.00 N ATOM 1082 CE2 TRP B 19 -3.744 4.930 -2.365 1.00 0.00 C ATOM 1083 CE3 TRP B 19 -4.322 4.036 -4.534 1.00 0.00 C ATOM 1084 CZ2 TRP B 19 -2.581 5.517 -2.887 1.00 0.00 C ATOM 1085 CZ3 TRP B 19 -3.146 4.605 -5.064 1.00 0.00 C ATOM 1086 CH2 TRP B 19 -2.273 5.337 -4.241 1.00 0.00 C ATOM 0 H TRP B 19 -5.945 0.721 -2.382 1.00 0.00 H new ATOM 0 HA TRP B 19 -7.454 2.412 -0.676 1.00 0.00 H new ATOM 0 HB2 TRP B 19 -6.792 2.409 -3.620 1.00 0.00 H new ATOM 0 HB3 TRP B 19 -7.796 3.645 -2.887 1.00 0.00 H new ATOM 0 HD1 TRP B 19 -6.115 4.098 -0.221 1.00 0.00 H new ATOM 0 HE1 TRP B 19 -3.887 5.379 -0.290 1.00 0.00 H new ATOM 0 HE3 TRP B 19 -4.985 3.486 -5.185 1.00 0.00 H new ATOM 0 HZ2 TRP B 19 -1.931 6.101 -2.252 1.00 0.00 H new ATOM 0 HZ3 TRP B 19 -2.914 4.477 -6.111 1.00 0.00 H new ATOM 0 HH2 TRP B 19 -1.368 5.759 -4.652 1.00 0.00 H new ATOM 1097 N LYS B 20 -9.243 0.337 -2.395 1.00 0.00 N ATOM 1098 CA LYS B 20 -10.617 -0.138 -2.536 1.00 0.00 C ATOM 1099 C LYS B 20 -11.159 -0.475 -1.144 1.00 0.00 C ATOM 1100 O LYS B 20 -12.265 -0.076 -0.786 1.00 0.00 O ATOM 1101 CB LYS B 20 -10.707 -1.377 -3.440 1.00 0.00 C ATOM 1102 CG LYS B 20 -10.037 -1.226 -4.809 1.00 0.00 C ATOM 1103 CD LYS B 20 -10.528 -0.004 -5.592 1.00 0.00 C ATOM 1104 CE LYS B 20 -9.913 0.011 -6.995 1.00 0.00 C ATOM 1105 NZ LYS B 20 -10.359 1.186 -7.761 1.00 0.00 N ATOM 0 H LYS B 20 -8.538 -0.307 -2.755 1.00 0.00 H new ATOM 0 HA LYS B 20 -11.209 0.648 -3.004 1.00 0.00 H new ATOM 0 HB2 LYS B 20 -10.253 -2.221 -2.921 1.00 0.00 H new ATOM 0 HB3 LYS B 20 -11.758 -1.623 -3.591 1.00 0.00 H new ATOM 0 HG2 LYS B 20 -8.958 -1.152 -4.672 1.00 0.00 H new ATOM 0 HG3 LYS B 20 -10.222 -2.125 -5.398 1.00 0.00 H new ATOM 0 HD2 LYS B 20 -11.615 -0.023 -5.664 1.00 0.00 H new ATOM 0 HD3 LYS B 20 -10.260 0.909 -5.060 1.00 0.00 H new ATOM 0 HE2 LYS B 20 -8.826 0.016 -6.918 1.00 0.00 H new ATOM 0 HE3 LYS B 20 -10.191 -0.899 -7.526 1.00 0.00 H new ATOM 0 HZ1 LYS B 20 -9.926 1.169 -8.707 1.00 0.00 H new ATOM 0 HZ2 LYS B 20 -11.395 1.167 -7.854 1.00 0.00 H new ATOM 0 HZ3 LYS B 20 -10.072 2.054 -7.265 1.00 0.00 H new ATOM 1119 N HIS B 21 -10.349 -1.208 -0.368 1.00 0.00 N ATOM 1120 CA HIS B 21 -10.626 -1.643 0.995 1.00 0.00 C ATOM 1121 C HIS B 21 -10.569 -0.426 1.942 1.00 0.00 C ATOM 1122 O HIS B 21 -9.891 0.548 1.614 1.00 0.00 O ATOM 1123 CB HIS B 21 -9.590 -2.736 1.326 1.00 0.00 C ATOM 1124 CG HIS B 21 -10.043 -3.729 2.371 1.00 0.00 C ATOM 1125 ND1 HIS B 21 -10.251 -3.571 3.716 1.00 0.00 N flip ATOM 1126 CD2 HIS B 21 -10.357 -5.045 2.021 1.00 0.00 C flip ATOM 1127 CE1 HIS B 21 -10.687 -4.787 4.207 1.00 0.00 C flip ATOM 1128 NE2 HIS B 21 -10.741 -5.628 3.160 1.00 0.00 N flip ATOM 0 H HIS B 21 -9.438 -1.526 -0.697 1.00 0.00 H new ATOM 0 HA HIS B 21 -11.625 -2.063 1.114 1.00 0.00 H new ATOM 0 HB2 HIS B 21 -9.345 -3.276 0.411 1.00 0.00 H new ATOM 0 HB3 HIS B 21 -8.673 -2.258 1.670 1.00 0.00 H new ATOM 0 HD1 HIS B 21 -10.110 -2.716 4.254 1.00 0.00 H new ATOM 0 HD2 HIS B 21 -10.301 -5.494 1.040 1.00 0.00 H new ATOM 0 HE1 HIS B 21 -10.936 -5.017 5.232 1.00 0.00 H new ATOM 1136 N SER B 22 -11.282 -0.439 3.089 1.00 0.00 N ATOM 1137 CA SER B 22 -11.261 0.693 4.032 1.00 0.00 C ATOM 1138 C SER B 22 -9.809 0.879 4.478 1.00 0.00 C ATOM 1139 O SER B 22 -9.215 1.933 4.257 1.00 0.00 O ATOM 1140 CB SER B 22 -12.202 0.414 5.209 1.00 0.00 C ATOM 1141 OG SER B 22 -12.160 1.486 6.126 1.00 0.00 O ATOM 0 H SER B 22 -11.874 -1.217 3.380 1.00 0.00 H new ATOM 0 HA SER B 22 -11.617 1.612 3.567 1.00 0.00 H new ATOM 0 HB2 SER B 22 -13.220 0.275 4.846 1.00 0.00 H new ATOM 0 HB3 SER B 22 -11.912 -0.512 5.706 1.00 0.00 H new ATOM 0 HG SER B 22 -12.765 1.300 6.874 1.00 0.00 H new ATOM 1147 N SER B 23 -9.250 -0.180 5.069 1.00 0.00 N ATOM 1148 CA SER B 23 -7.819 -0.335 5.270 1.00 0.00 C ATOM 1149 C SER B 23 -7.587 -1.738 4.684 1.00 0.00 C ATOM 1150 O SER B 23 -8.414 -2.183 3.891 1.00 0.00 O ATOM 1151 CB SER B 23 -7.525 -0.263 6.770 1.00 0.00 C ATOM 1152 OG SER B 23 -7.664 1.065 7.224 1.00 0.00 O ATOM 0 H SER B 23 -9.795 -0.965 5.426 1.00 0.00 H new ATOM 0 HA SER B 23 -7.180 0.420 4.811 1.00 0.00 H new ATOM 0 HB2 SER B 23 -8.207 -0.916 7.315 1.00 0.00 H new ATOM 0 HB3 SER B 23 -6.515 -0.620 6.969 1.00 0.00 H new ATOM 0 HG SER B 23 -7.476 1.104 8.185 1.00 0.00 H new ATOM 1158 N ILE B 24 -6.559 -2.503 5.067 1.00 0.00 N ATOM 1159 CA ILE B 24 -6.467 -3.892 4.612 1.00 0.00 C ATOM 1160 C ILE B 24 -5.735 -4.781 5.615 1.00 0.00 C ATOM 1161 O ILE B 24 -4.694 -4.355 6.109 1.00 0.00 O ATOM 1162 CB ILE B 24 -6.051 -4.011 3.134 1.00 0.00 C ATOM 1163 CG1 ILE B 24 -6.438 -5.386 2.574 1.00 0.00 C ATOM 1164 CG2 ILE B 24 -4.554 -3.763 2.984 1.00 0.00 C ATOM 1165 CD1 ILE B 24 -6.431 -5.412 1.042 1.00 0.00 C ATOM 0 H ILE B 24 -5.799 -2.195 5.674 1.00 0.00 H new ATOM 0 HA ILE B 24 -7.472 -4.315 4.601 1.00 0.00 H new ATOM 0 HB ILE B 24 -6.582 -3.252 2.560 1.00 0.00 H new ATOM 0 HG12 ILE B 24 -5.745 -6.138 2.951 1.00 0.00 H new ATOM 0 HG13 ILE B 24 -7.430 -5.657 2.935 1.00 0.00 H new ATOM 0 HG21 ILE B 24 -4.274 -3.850 1.934 1.00 0.00 H new ATOM 0 HG22 ILE B 24 -4.313 -2.762 3.342 1.00 0.00 H new ATOM 0 HG23 ILE B 24 -4.003 -4.499 3.569 1.00 0.00 H new ATOM 0 HD11 ILE B 24 -6.711 -6.406 0.694 1.00 0.00 H new ATOM 0 HD12 ILE B 24 -7.144 -4.680 0.662 1.00 0.00 H new ATOM 0 HD13 ILE B 24 -5.433 -5.168 0.679 1.00 0.00 H new ATOM 1177 N ASN B 25 -6.200 -6.009 5.885 1.00 0.00 N ATOM 1178 CA ASN B 25 -5.533 -6.954 6.731 1.00 0.00 C ATOM 1179 C ASN B 25 -4.782 -7.791 5.688 1.00 0.00 C ATOM 1180 O ASN B 25 -5.340 -8.120 4.642 1.00 0.00 O ATOM 1181 CB ASN B 25 -6.588 -7.671 7.590 1.00 0.00 C ATOM 1182 CG ASN B 25 -7.476 -8.621 6.789 1.00 0.00 C ATOM 1183 OD1 ASN B 25 -7.117 -9.776 6.573 1.00 0.00 O ATOM 1184 ND2 ASN B 25 -8.644 -8.136 6.358 1.00 0.00 N ATOM 0 H ASN B 25 -7.076 -6.362 5.500 1.00 0.00 H new ATOM 0 HA ASN B 25 -4.835 -6.582 7.481 1.00 0.00 H new ATOM 0 HB2 ASN B 25 -6.085 -8.232 8.377 1.00 0.00 H new ATOM 0 HB3 ASN B 25 -7.215 -6.926 8.080 1.00 0.00 H new ATOM 0 HD21 ASN B 25 -9.279 -8.732 5.826 1.00 0.00 H new ATOM 0 HD22 ASN B 25 -8.901 -7.170 6.561 1.00 0.00 H new ATOM 1191 N THR B 26 -3.505 -8.072 5.940 1.00 0.00 N ATOM 1192 CA THR B 26 -2.581 -8.779 5.073 1.00 0.00 C ATOM 1193 C THR B 26 -3.194 -10.010 4.405 1.00 0.00 C ATOM 1194 O THR B 26 -2.828 -10.304 3.274 1.00 0.00 O ATOM 1195 CB THR B 26 -1.271 -9.126 5.815 1.00 0.00 C ATOM 1196 OG1 THR B 26 -1.190 -8.501 7.077 1.00 0.00 O ATOM 1197 CG2 THR B 26 -0.046 -8.693 5.004 1.00 0.00 C ATOM 0 H THR B 26 -3.065 -7.790 6.816 1.00 0.00 H new ATOM 0 HA THR B 26 -2.341 -8.092 4.262 1.00 0.00 H new ATOM 0 HB THR B 26 -1.282 -10.208 5.946 1.00 0.00 H new ATOM 0 HG1 THR B 26 -0.347 -8.749 7.511 1.00 0.00 H new ATOM 0 HG21 THR B 26 0.861 -8.950 5.551 1.00 0.00 H new ATOM 0 HG22 THR B 26 -0.047 -9.205 4.042 1.00 0.00 H new ATOM 0 HG23 THR B 26 -0.079 -7.616 4.842 1.00 0.00 H new ATOM 1205 N ASN B 27 -4.126 -10.730 5.049 1.00 0.00 N ATOM 1206 CA ASN B 27 -4.736 -11.873 4.372 1.00 0.00 C ATOM 1207 C ASN B 27 -5.420 -11.438 3.072 1.00 0.00 C ATOM 1208 O ASN B 27 -5.302 -12.130 2.065 1.00 0.00 O ATOM 1209 CB ASN B 27 -5.671 -12.643 5.310 1.00 0.00 C ATOM 1210 CG ASN B 27 -6.996 -13.078 4.674 1.00 0.00 C ATOM 1211 OD1 ASN B 27 -8.051 -12.553 5.024 1.00 0.00 O ATOM 1212 ND2 ASN B 27 -6.950 -14.039 3.746 1.00 0.00 N ATOM 0 H ASN B 27 -4.459 -10.549 5.996 1.00 0.00 H new ATOM 0 HA ASN B 27 -3.946 -12.569 4.092 1.00 0.00 H new ATOM 0 HB2 ASN B 27 -5.150 -13.528 5.675 1.00 0.00 H new ATOM 0 HB3 ASN B 27 -5.887 -12.020 6.178 1.00 0.00 H new ATOM 0 HD21 ASN B 27 -7.810 -14.361 3.302 1.00 0.00 H new ATOM 0 HD22 ASN B 27 -6.055 -14.451 3.482 1.00 0.00 H new ATOM 1219 N GLU B 28 -6.123 -10.303 3.089 1.00 0.00 N ATOM 1220 CA GLU B 28 -6.800 -9.765 1.924 1.00 0.00 C ATOM 1221 C GLU B 28 -5.803 -9.207 0.903 1.00 0.00 C ATOM 1222 O GLU B 28 -6.036 -9.355 -0.296 1.00 0.00 O ATOM 1223 CB GLU B 28 -7.816 -8.715 2.380 1.00 0.00 C ATOM 1224 CG GLU B 28 -8.908 -9.326 3.259 1.00 0.00 C ATOM 1225 CD GLU B 28 -9.800 -10.298 2.490 1.00 0.00 C ATOM 1226 OE1 GLU B 28 -10.673 -9.800 1.746 1.00 0.00 O ATOM 1227 OE2 GLU B 28 -9.593 -11.520 2.656 1.00 0.00 O ATOM 0 H GLU B 28 -6.235 -9.731 3.926 1.00 0.00 H new ATOM 0 HA GLU B 28 -7.334 -10.565 1.412 1.00 0.00 H new ATOM 0 HB2 GLU B 28 -7.302 -7.928 2.932 1.00 0.00 H new ATOM 0 HB3 GLU B 28 -8.271 -8.247 1.507 1.00 0.00 H new ATOM 0 HG2 GLU B 28 -8.446 -9.847 4.098 1.00 0.00 H new ATOM 0 HG3 GLU B 28 -9.521 -8.528 3.678 1.00 0.00 H new ATOM 1234 N VAL B 29 -4.698 -8.585 1.352 1.00 0.00 N ATOM 1235 CA VAL B 29 -3.690 -8.034 0.449 1.00 0.00 C ATOM 1236 C VAL B 29 -2.993 -9.183 -0.286 1.00 0.00 C ATOM 1237 O VAL B 29 -3.007 -9.214 -1.514 1.00 0.00 O ATOM 1238 CB VAL B 29 -2.761 -7.032 1.181 1.00 0.00 C ATOM 1239 CG1 VAL B 29 -1.417 -7.588 1.665 1.00 0.00 C ATOM 1240 CG2 VAL B 29 -2.411 -5.832 0.294 1.00 0.00 C ATOM 0 H VAL B 29 -4.486 -8.455 2.341 1.00 0.00 H new ATOM 0 HA VAL B 29 -4.153 -7.423 -0.326 1.00 0.00 H new ATOM 0 HB VAL B 29 -3.360 -6.764 2.051 1.00 0.00 H new ATOM 0 HG11 VAL B 29 -0.854 -6.798 2.161 1.00 0.00 H new ATOM 0 HG12 VAL B 29 -1.592 -8.404 2.366 1.00 0.00 H new ATOM 0 HG13 VAL B 29 -0.848 -7.958 0.812 1.00 0.00 H new ATOM 0 HG21 VAL B 29 -1.759 -5.152 0.842 1.00 0.00 H new ATOM 0 HG22 VAL B 29 -1.900 -6.180 -0.604 1.00 0.00 H new ATOM 0 HG23 VAL B 29 -3.325 -5.309 0.012 1.00 0.00 H new ATOM 1250 N ILE B 30 -2.434 -10.152 0.453 1.00 0.00 N ATOM 1251 CA ILE B 30 -1.788 -11.329 -0.099 1.00 0.00 C ATOM 1252 C ILE B 30 -2.793 -12.104 -0.936 1.00 0.00 C ATOM 1253 O ILE B 30 -2.505 -12.404 -2.092 1.00 0.00 O ATOM 1254 CB ILE B 30 -1.195 -12.196 1.020 1.00 0.00 C ATOM 1255 CG1 ILE B 30 -0.164 -11.348 1.774 1.00 0.00 C ATOM 1256 CG2 ILE B 30 -0.561 -13.463 0.427 1.00 0.00 C ATOM 1257 CD1 ILE B 30 0.627 -12.141 2.807 1.00 0.00 C ATOM 0 H ILE B 30 -2.424 -10.129 1.473 1.00 0.00 H new ATOM 0 HA ILE B 30 -0.961 -11.026 -0.741 1.00 0.00 H new ATOM 0 HB ILE B 30 -1.971 -12.522 1.712 1.00 0.00 H new ATOM 0 HG12 ILE B 30 0.528 -10.907 1.057 1.00 0.00 H new ATOM 0 HG13 ILE B 30 -0.675 -10.524 2.272 1.00 0.00 H new ATOM 0 HG21 ILE B 30 -0.143 -14.071 1.230 1.00 0.00 H new ATOM 0 HG22 ILE B 30 -1.321 -14.036 -0.104 1.00 0.00 H new ATOM 0 HG23 ILE B 30 0.232 -13.183 -0.266 1.00 0.00 H new ATOM 0 HD11 ILE B 30 1.339 -11.482 3.304 1.00 0.00 H new ATOM 0 HD12 ILE B 30 -0.057 -12.560 3.545 1.00 0.00 H new ATOM 0 HD13 ILE B 30 1.165 -12.949 2.311 1.00 0.00 H new ATOM 1269 N LYS B 31 -3.959 -12.422 -0.357 1.00 0.00 N ATOM 1270 CA LYS B 31 -5.017 -13.129 -1.072 1.00 0.00 C ATOM 1271 C LYS B 31 -5.277 -12.532 -2.466 1.00 0.00 C ATOM 1272 O LYS B 31 -5.436 -13.290 -3.419 1.00 0.00 O ATOM 1273 CB LYS B 31 -6.300 -13.155 -0.228 1.00 0.00 C ATOM 1274 CG LYS B 31 -7.502 -13.827 -0.913 1.00 0.00 C ATOM 1275 CD LYS B 31 -7.252 -15.305 -1.244 1.00 0.00 C ATOM 1276 CE LYS B 31 -8.462 -15.944 -1.936 1.00 0.00 C ATOM 1277 NZ LYS B 31 -9.639 -16.006 -1.053 1.00 0.00 N ATOM 0 H LYS B 31 -4.189 -12.197 0.611 1.00 0.00 H new ATOM 0 HA LYS B 31 -4.682 -14.154 -1.232 1.00 0.00 H new ATOM 0 HB2 LYS B 31 -6.094 -13.675 0.707 1.00 0.00 H new ATOM 0 HB3 LYS B 31 -6.571 -12.131 0.030 1.00 0.00 H new ATOM 0 HG2 LYS B 31 -8.374 -13.748 -0.264 1.00 0.00 H new ATOM 0 HG3 LYS B 31 -7.738 -13.289 -1.831 1.00 0.00 H new ATOM 0 HD2 LYS B 31 -6.377 -15.391 -1.888 1.00 0.00 H new ATOM 0 HD3 LYS B 31 -7.027 -15.850 -0.327 1.00 0.00 H new ATOM 0 HE2 LYS B 31 -8.711 -15.373 -2.830 1.00 0.00 H new ATOM 0 HE3 LYS B 31 -8.202 -16.951 -2.263 1.00 0.00 H new ATOM 0 HZ1 LYS B 31 -10.381 -16.578 -1.504 1.00 0.00 H new ATOM 0 HZ2 LYS B 31 -9.371 -16.439 -0.147 1.00 0.00 H new ATOM 0 HZ3 LYS B 31 -9.997 -15.044 -0.884 1.00 0.00 H new ATOM 1291 N GLU B 32 -5.293 -11.196 -2.605 1.00 0.00 N ATOM 1292 CA GLU B 32 -5.547 -10.531 -3.874 1.00 0.00 C ATOM 1293 C GLU B 32 -4.301 -10.423 -4.760 1.00 0.00 C ATOM 1294 O GLU B 32 -4.293 -10.958 -5.867 1.00 0.00 O ATOM 1295 CB GLU B 32 -6.153 -9.148 -3.592 1.00 0.00 C ATOM 1296 CG GLU B 32 -6.575 -8.407 -4.862 1.00 0.00 C ATOM 1297 CD GLU B 32 -7.619 -9.171 -5.672 1.00 0.00 C ATOM 1298 OE1 GLU B 32 -8.783 -9.201 -5.217 1.00 0.00 O ATOM 1299 OE2 GLU B 32 -7.236 -9.714 -6.732 1.00 0.00 O ATOM 0 H GLU B 32 -5.128 -10.552 -1.831 1.00 0.00 H new ATOM 0 HA GLU B 32 -6.251 -11.141 -4.441 1.00 0.00 H new ATOM 0 HB2 GLU B 32 -7.020 -9.264 -2.941 1.00 0.00 H new ATOM 0 HB3 GLU B 32 -5.426 -8.543 -3.050 1.00 0.00 H new ATOM 0 HG2 GLU B 32 -6.975 -7.430 -4.591 1.00 0.00 H new ATOM 0 HG3 GLU B 32 -5.697 -8.231 -5.483 1.00 0.00 H new ATOM 1306 N LEU B 33 -3.261 -9.722 -4.288 1.00 0.00 N ATOM 1307 CA LEU B 33 -2.042 -9.480 -5.050 1.00 0.00 C ATOM 1308 C LEU B 33 -1.286 -10.753 -5.442 1.00 0.00 C ATOM 1309 O LEU B 33 -0.754 -10.808 -6.546 1.00 0.00 O ATOM 1310 CB LEU B 33 -1.110 -8.488 -4.333 1.00 0.00 C ATOM 1311 CG LEU B 33 -1.506 -6.998 -4.402 1.00 0.00 C ATOM 1312 CD1 LEU B 33 -1.832 -6.517 -5.823 1.00 0.00 C ATOM 1313 CD2 LEU B 33 -2.635 -6.625 -3.440 1.00 0.00 C ATOM 0 H LEU B 33 -3.249 -9.306 -3.357 1.00 0.00 H new ATOM 0 HA LEU B 33 -2.378 -9.031 -5.985 1.00 0.00 H new ATOM 0 HB2 LEU B 33 -1.048 -8.776 -3.284 1.00 0.00 H new ATOM 0 HB3 LEU B 33 -0.110 -8.595 -4.753 1.00 0.00 H new ATOM 0 HG LEU B 33 -0.609 -6.470 -4.077 1.00 0.00 H new ATOM 0 HD11 LEU B 33 -2.102 -5.461 -5.797 1.00 0.00 H new ATOM 0 HD12 LEU B 33 -0.960 -6.653 -6.462 1.00 0.00 H new ATOM 0 HD13 LEU B 33 -2.666 -7.095 -6.220 1.00 0.00 H new ATOM 0 HD21 LEU B 33 -2.863 -5.564 -3.541 1.00 0.00 H new ATOM 0 HD22 LEU B 33 -3.523 -7.211 -3.677 1.00 0.00 H new ATOM 0 HD23 LEU B 33 -2.325 -6.834 -2.416 1.00 0.00 H new ATOM 1325 N SER B 34 -1.222 -11.771 -4.576 1.00 0.00 N ATOM 1326 CA SER B 34 -0.499 -13.004 -4.876 1.00 0.00 C ATOM 1327 C SER B 34 -1.131 -13.803 -6.020 1.00 0.00 C ATOM 1328 O SER B 34 -0.425 -14.538 -6.707 1.00 0.00 O ATOM 1329 CB SER B 34 -0.353 -13.863 -3.616 1.00 0.00 C ATOM 1330 OG SER B 34 0.655 -14.832 -3.810 1.00 0.00 O ATOM 0 H SER B 34 -1.666 -11.761 -3.658 1.00 0.00 H new ATOM 0 HA SER B 34 0.494 -12.713 -5.220 1.00 0.00 H new ATOM 0 HB2 SER B 34 -0.104 -13.233 -2.762 1.00 0.00 H new ATOM 0 HB3 SER B 34 -1.300 -14.351 -3.386 1.00 0.00 H new ATOM 0 HG SER B 34 1.489 -14.389 -4.070 1.00 0.00 H new ATOM 1336 N LYS B 35 -2.449 -13.673 -6.223 1.00 0.00 N ATOM 1337 CA LYS B 35 -3.160 -14.360 -7.292 1.00 0.00 C ATOM 1338 C LYS B 35 -2.942 -13.645 -8.624 1.00 0.00 C ATOM 1339 O LYS B 35 -2.646 -14.288 -9.630 1.00 0.00 O ATOM 1340 CB LYS B 35 -4.660 -14.435 -6.974 1.00 0.00 C ATOM 1341 CG LYS B 35 -4.929 -15.411 -5.820 1.00 0.00 C ATOM 1342 CD LYS B 35 -6.417 -15.486 -5.451 1.00 0.00 C ATOM 1343 CE LYS B 35 -7.252 -16.211 -6.512 1.00 0.00 C ATOM 1344 NZ LYS B 35 -8.650 -16.362 -6.074 1.00 0.00 N ATOM 0 H LYS B 35 -3.048 -13.084 -5.644 1.00 0.00 H new ATOM 0 HA LYS B 35 -2.766 -15.373 -7.371 1.00 0.00 H new ATOM 0 HB2 LYS B 35 -5.030 -13.444 -6.711 1.00 0.00 H new ATOM 0 HB3 LYS B 35 -5.208 -14.754 -7.860 1.00 0.00 H new ATOM 0 HG2 LYS B 35 -4.576 -16.404 -6.098 1.00 0.00 H new ATOM 0 HG3 LYS B 35 -4.356 -15.102 -4.946 1.00 0.00 H new ATOM 0 HD2 LYS B 35 -6.525 -16.000 -4.496 1.00 0.00 H new ATOM 0 HD3 LYS B 35 -6.805 -14.476 -5.316 1.00 0.00 H new ATOM 0 HE2 LYS B 35 -7.219 -15.654 -7.448 1.00 0.00 H new ATOM 0 HE3 LYS B 35 -6.822 -17.193 -6.710 1.00 0.00 H new ATOM 0 HZ1 LYS B 35 -9.193 -16.856 -6.811 1.00 0.00 H new ATOM 0 HZ2 LYS B 35 -8.680 -16.914 -5.193 1.00 0.00 H new ATOM 0 HZ3 LYS B 35 -9.065 -15.423 -5.909 1.00 0.00 H new ATOM 1358 N THR B 36 -3.090 -12.316 -8.620 1.00 0.00 N ATOM 1359 CA THR B 36 -2.955 -11.474 -9.799 1.00 0.00 C ATOM 1360 C THR B 36 -1.493 -11.362 -10.241 1.00 0.00 C ATOM 1361 O THR B 36 -1.170 -11.703 -11.378 1.00 0.00 O ATOM 1362 CB THR B 36 -3.599 -10.105 -9.529 1.00 0.00 C ATOM 1363 OG1 THR B 36 -3.028 -9.496 -8.390 1.00 0.00 O ATOM 1364 CG2 THR B 36 -5.109 -10.251 -9.310 1.00 0.00 C ATOM 0 H THR B 36 -3.312 -11.790 -7.775 1.00 0.00 H new ATOM 0 HA THR B 36 -3.485 -11.935 -10.633 1.00 0.00 H new ATOM 0 HB THR B 36 -3.416 -9.479 -10.402 1.00 0.00 H new ATOM 0 HG1 THR B 36 -3.452 -8.626 -8.237 1.00 0.00 H new ATOM 0 HG21 THR B 36 -5.546 -9.270 -9.120 1.00 0.00 H new ATOM 0 HG22 THR B 36 -5.565 -10.686 -10.199 1.00 0.00 H new ATOM 0 HG23 THR B 36 -5.291 -10.901 -8.454 1.00 0.00 H new ATOM 1372 N SER B 37 -0.615 -10.908 -9.338 1.00 0.00 N ATOM 1373 CA SER B 37 0.814 -10.745 -9.578 1.00 0.00 C ATOM 1374 C SER B 37 1.568 -12.005 -9.150 1.00 0.00 C ATOM 1375 O SER B 37 1.040 -12.825 -8.401 1.00 0.00 O ATOM 1376 CB SER B 37 1.340 -9.521 -8.820 1.00 0.00 C ATOM 1377 OG SER B 37 0.630 -8.361 -9.195 1.00 0.00 O ATOM 0 H SER B 37 -0.893 -10.638 -8.395 1.00 0.00 H new ATOM 0 HA SER B 37 0.977 -10.589 -10.644 1.00 0.00 H new ATOM 0 HB2 SER B 37 1.243 -9.682 -7.746 1.00 0.00 H new ATOM 0 HB3 SER B 37 2.402 -9.387 -9.027 1.00 0.00 H new ATOM 0 HG SER B 37 0.875 -7.621 -8.601 1.00 0.00 H new ATOM 1383 N THR B 38 2.806 -12.155 -9.639 1.00 0.00 N ATOM 1384 CA THR B 38 3.668 -13.295 -9.347 1.00 0.00 C ATOM 1385 C THR B 38 3.949 -13.390 -7.845 1.00 0.00 C ATOM 1386 O THR B 38 3.641 -14.411 -7.232 1.00 0.00 O ATOM 1387 CB THR B 38 4.968 -13.191 -10.163 1.00 0.00 C ATOM 1388 OG1 THR B 38 5.596 -11.942 -9.950 1.00 0.00 O ATOM 1389 CG2 THR B 38 4.698 -13.368 -11.661 1.00 0.00 C ATOM 0 H THR B 38 3.239 -11.471 -10.260 1.00 0.00 H new ATOM 0 HA THR B 38 3.158 -14.213 -9.639 1.00 0.00 H new ATOM 0 HB THR B 38 5.627 -13.990 -9.824 1.00 0.00 H new ATOM 0 HG1 THR B 38 6.421 -11.897 -10.476 1.00 0.00 H new ATOM 0 HG21 THR B 38 5.636 -13.289 -12.211 1.00 0.00 H new ATOM 0 HG22 THR B 38 4.255 -14.348 -11.837 1.00 0.00 H new ATOM 0 HG23 THR B 38 4.012 -12.593 -12.001 1.00 0.00 H new ATOM 1397 N TRP B 39 4.526 -12.313 -7.293 1.00 0.00 N ATOM 1398 CA TRP B 39 4.918 -12.061 -5.910 1.00 0.00 C ATOM 1399 C TRP B 39 4.406 -13.066 -4.874 1.00 0.00 C ATOM 1400 O TRP B 39 3.201 -13.212 -4.673 1.00 0.00 O ATOM 1401 CB TRP B 39 4.483 -10.646 -5.504 1.00 0.00 C ATOM 1402 CG TRP B 39 4.756 -9.531 -6.468 1.00 0.00 C ATOM 1403 CD1 TRP B 39 5.789 -9.453 -7.338 1.00 0.00 C ATOM 1404 CD2 TRP B 39 3.962 -8.329 -6.692 1.00 0.00 C ATOM 1405 NE1 TRP B 39 5.681 -8.306 -8.096 1.00 0.00 N ATOM 1406 CE2 TRP B 39 4.569 -7.574 -7.737 1.00 0.00 C ATOM 1407 CE3 TRP B 39 2.779 -7.807 -6.125 1.00 0.00 C ATOM 1408 CZ2 TRP B 39 4.029 -6.365 -8.198 1.00 0.00 C ATOM 1409 CZ3 TRP B 39 2.223 -6.602 -6.588 1.00 0.00 C ATOM 1410 CH2 TRP B 39 2.846 -5.881 -7.619 1.00 0.00 C ATOM 0 H TRP B 39 4.753 -11.509 -7.878 1.00 0.00 H new ATOM 0 HA TRP B 39 6.002 -12.175 -5.902 1.00 0.00 H new ATOM 0 HB2 TRP B 39 3.411 -10.667 -5.310 1.00 0.00 H new ATOM 0 HB3 TRP B 39 4.972 -10.402 -4.561 1.00 0.00 H new ATOM 0 HD1 TRP B 39 6.581 -10.182 -7.426 1.00 0.00 H new ATOM 0 HE1 TRP B 39 6.338 -8.034 -8.827 1.00 0.00 H new ATOM 0 HE3 TRP B 39 2.293 -8.342 -5.322 1.00 0.00 H new ATOM 0 HZ2 TRP B 39 4.517 -5.814 -8.988 1.00 0.00 H new ATOM 0 HZ3 TRP B 39 1.310 -6.228 -6.148 1.00 0.00 H new ATOM 0 HH2 TRP B 39 2.415 -4.954 -7.967 1.00 0.00 H new ATOM 1421 N SER B 40 5.351 -13.730 -4.200 1.00 0.00 N ATOM 1422 CA SER B 40 5.109 -14.691 -3.135 1.00 0.00 C ATOM 1423 C SER B 40 4.531 -13.958 -1.914 1.00 0.00 C ATOM 1424 O SER B 40 4.703 -12.744 -1.812 1.00 0.00 O ATOM 1425 CB SER B 40 6.468 -15.330 -2.805 1.00 0.00 C ATOM 1426 OG SER B 40 6.402 -16.238 -1.730 1.00 0.00 O ATOM 0 H SER B 40 6.344 -13.603 -4.395 1.00 0.00 H new ATOM 0 HA SER B 40 4.393 -15.458 -3.429 1.00 0.00 H new ATOM 0 HB2 SER B 40 6.844 -15.847 -3.688 1.00 0.00 H new ATOM 0 HB3 SER B 40 7.185 -14.544 -2.566 1.00 0.00 H new ATOM 0 HG SER B 40 7.292 -16.615 -1.565 1.00 0.00 H new ATOM 1432 N PRO B 41 3.833 -14.640 -0.987 1.00 0.00 N ATOM 1433 CA PRO B 41 3.311 -14.019 0.225 1.00 0.00 C ATOM 1434 C PRO B 41 4.373 -13.199 0.959 1.00 0.00 C ATOM 1435 O PRO B 41 4.098 -12.086 1.397 1.00 0.00 O ATOM 1436 CB PRO B 41 2.800 -15.188 1.069 1.00 0.00 C ATOM 1437 CG PRO B 41 2.285 -16.134 0.004 1.00 0.00 C ATOM 1438 CD PRO B 41 3.360 -16.016 -1.076 1.00 0.00 C ATOM 0 HA PRO B 41 2.522 -13.300 0.004 1.00 0.00 H new ATOM 0 HB2 PRO B 41 3.592 -15.638 1.668 1.00 0.00 H new ATOM 0 HB3 PRO B 41 2.014 -14.882 1.759 1.00 0.00 H new ATOM 0 HG2 PRO B 41 2.191 -17.154 0.376 1.00 0.00 H new ATOM 0 HG3 PRO B 41 1.303 -15.837 -0.364 1.00 0.00 H new ATOM 0 HD2 PRO B 41 4.171 -16.724 -0.905 1.00 0.00 H new ATOM 0 HD3 PRO B 41 2.952 -16.230 -2.064 1.00 0.00 H new ATOM 1446 N LYS B 42 5.596 -13.737 1.050 1.00 0.00 N ATOM 1447 CA LYS B 42 6.721 -13.080 1.694 1.00 0.00 C ATOM 1448 C LYS B 42 7.145 -11.820 0.935 1.00 0.00 C ATOM 1449 O LYS B 42 7.457 -10.814 1.570 1.00 0.00 O ATOM 1450 CB LYS B 42 7.874 -14.071 1.863 1.00 0.00 C ATOM 1451 CG LYS B 42 7.465 -15.227 2.786 1.00 0.00 C ATOM 1452 CD LYS B 42 8.675 -16.093 3.144 1.00 0.00 C ATOM 1453 CE LYS B 42 8.262 -17.222 4.091 1.00 0.00 C ATOM 1454 NZ LYS B 42 9.426 -18.021 4.507 1.00 0.00 N ATOM 0 H LYS B 42 5.826 -14.655 0.670 1.00 0.00 H new ATOM 0 HA LYS B 42 6.414 -12.749 2.686 1.00 0.00 H new ATOM 0 HB2 LYS B 42 8.169 -14.463 0.890 1.00 0.00 H new ATOM 0 HB3 LYS B 42 8.743 -13.559 2.277 1.00 0.00 H new ATOM 0 HG2 LYS B 42 7.015 -14.830 3.696 1.00 0.00 H new ATOM 0 HG3 LYS B 42 6.707 -15.838 2.296 1.00 0.00 H new ATOM 0 HD2 LYS B 42 9.111 -16.512 2.237 1.00 0.00 H new ATOM 0 HD3 LYS B 42 9.444 -15.479 3.613 1.00 0.00 H new ATOM 0 HE2 LYS B 42 7.773 -16.802 4.970 1.00 0.00 H new ATOM 0 HE3 LYS B 42 7.533 -17.866 3.598 1.00 0.00 H new ATOM 0 HZ1 LYS B 42 9.116 -18.779 5.148 1.00 0.00 H new ATOM 0 HZ2 LYS B 42 9.877 -18.440 3.669 1.00 0.00 H new ATOM 0 HZ3 LYS B 42 10.109 -17.410 4.998 1.00 0.00 H new ATOM 1468 N THR B 43 7.151 -11.865 -0.407 1.00 0.00 N ATOM 1469 CA THR B 43 7.479 -10.715 -1.241 1.00 0.00 C ATOM 1470 C THR B 43 6.503 -9.578 -0.959 1.00 0.00 C ATOM 1471 O THR B 43 6.929 -8.437 -0.782 1.00 0.00 O ATOM 1472 CB THR B 43 7.458 -11.090 -2.732 1.00 0.00 C ATOM 1473 OG1 THR B 43 8.507 -11.990 -3.015 1.00 0.00 O ATOM 1474 CG2 THR B 43 7.570 -9.865 -3.646 1.00 0.00 C ATOM 0 H THR B 43 6.927 -12.706 -0.938 1.00 0.00 H new ATOM 0 HA THR B 43 8.489 -10.385 -0.997 1.00 0.00 H new ATOM 0 HB THR B 43 6.495 -11.560 -2.932 1.00 0.00 H new ATOM 0 HG1 THR B 43 8.487 -12.227 -3.966 1.00 0.00 H new ATOM 0 HG21 THR B 43 7.550 -10.185 -4.688 1.00 0.00 H new ATOM 0 HG22 THR B 43 6.733 -9.192 -3.457 1.00 0.00 H new ATOM 0 HG23 THR B 43 8.506 -9.345 -3.444 1.00 0.00 H new ATOM 1482 N ILE B 44 5.203 -9.897 -0.915 1.00 0.00 N ATOM 1483 CA ILE B 44 4.157 -8.921 -0.669 1.00 0.00 C ATOM 1484 C ILE B 44 4.359 -8.253 0.680 1.00 0.00 C ATOM 1485 O ILE B 44 4.596 -7.055 0.710 1.00 0.00 O ATOM 1486 CB ILE B 44 2.756 -9.529 -0.827 1.00 0.00 C ATOM 1487 CG1 ILE B 44 2.568 -9.891 -2.312 1.00 0.00 C ATOM 1488 CG2 ILE B 44 1.700 -8.509 -0.356 1.00 0.00 C ATOM 1489 CD1 ILE B 44 1.393 -10.834 -2.550 1.00 0.00 C ATOM 0 H ILE B 44 4.855 -10.846 -1.051 1.00 0.00 H new ATOM 0 HA ILE B 44 4.230 -8.144 -1.430 1.00 0.00 H new ATOM 0 HB ILE B 44 2.641 -10.427 -0.220 1.00 0.00 H new ATOM 0 HG12 ILE B 44 2.416 -8.977 -2.887 1.00 0.00 H new ATOM 0 HG13 ILE B 44 3.481 -10.355 -2.686 1.00 0.00 H new ATOM 0 HG21 ILE B 44 0.704 -8.938 -0.467 1.00 0.00 H new ATOM 0 HG22 ILE B 44 1.874 -8.263 0.691 1.00 0.00 H new ATOM 0 HG23 ILE B 44 1.774 -7.604 -0.959 1.00 0.00 H new ATOM 0 HD11 ILE B 44 1.312 -11.052 -3.615 1.00 0.00 H new ATOM 0 HD12 ILE B 44 1.554 -11.762 -2.001 1.00 0.00 H new ATOM 0 HD13 ILE B 44 0.473 -10.363 -2.205 1.00 0.00 H new ATOM 1501 N GLN B 45 4.290 -9.019 1.772 1.00 0.00 N ATOM 1502 CA GLN B 45 4.422 -8.546 3.147 1.00 0.00 C ATOM 1503 C GLN B 45 5.536 -7.522 3.367 1.00 0.00 C ATOM 1504 O GLN B 45 5.389 -6.629 4.198 1.00 0.00 O ATOM 1505 CB GLN B 45 4.696 -9.759 4.050 1.00 0.00 C ATOM 1506 CG GLN B 45 3.458 -10.649 4.183 1.00 0.00 C ATOM 1507 CD GLN B 45 3.751 -12.037 4.761 1.00 0.00 C ATOM 1508 OE1 GLN B 45 4.871 -12.537 4.684 1.00 0.00 O ATOM 1509 NE2 GLN B 45 2.728 -12.675 5.332 1.00 0.00 N ATOM 0 H GLN B 45 4.134 -10.026 1.717 1.00 0.00 H new ATOM 0 HA GLN B 45 3.488 -8.039 3.388 1.00 0.00 H new ATOM 0 HB2 GLN B 45 5.521 -10.341 3.640 1.00 0.00 H new ATOM 0 HB3 GLN B 45 5.007 -9.417 5.037 1.00 0.00 H new ATOM 0 HG2 GLN B 45 2.729 -10.148 4.819 1.00 0.00 H new ATOM 0 HG3 GLN B 45 2.998 -10.765 3.201 1.00 0.00 H new ATOM 0 HE21 GLN B 45 1.811 -12.230 5.379 1.00 0.00 H new ATOM 0 HE22 GLN B 45 2.862 -13.608 5.722 1.00 0.00 H new ATOM 1518 N THR B 46 6.645 -7.662 2.639 1.00 0.00 N ATOM 1519 CA THR B 46 7.801 -6.792 2.753 1.00 0.00 C ATOM 1520 C THR B 46 7.677 -5.515 1.928 1.00 0.00 C ATOM 1521 O THR B 46 8.290 -4.512 2.288 1.00 0.00 O ATOM 1522 CB THR B 46 9.033 -7.601 2.386 1.00 0.00 C ATOM 1523 OG1 THR B 46 9.093 -8.663 3.313 1.00 0.00 O ATOM 1524 CG2 THR B 46 10.295 -6.738 2.451 1.00 0.00 C ATOM 0 H THR B 46 6.760 -8.399 1.943 1.00 0.00 H new ATOM 0 HA THR B 46 7.881 -6.440 3.781 1.00 0.00 H new ATOM 0 HB THR B 46 8.972 -7.975 1.364 1.00 0.00 H new ATOM 0 HG1 THR B 46 8.641 -9.448 2.940 1.00 0.00 H new ATOM 0 HG21 THR B 46 11.163 -7.341 2.184 1.00 0.00 H new ATOM 0 HG22 THR B 46 10.203 -5.906 1.753 1.00 0.00 H new ATOM 0 HG23 THR B 46 10.420 -6.351 3.462 1.00 0.00 H new ATOM 1532 N MET B 47 6.914 -5.538 0.828 1.00 0.00 N ATOM 1533 CA MET B 47 6.683 -4.355 0.011 1.00 0.00 C ATOM 1534 C MET B 47 6.179 -3.246 0.935 1.00 0.00 C ATOM 1535 O MET B 47 6.730 -2.150 0.934 1.00 0.00 O ATOM 1536 CB MET B 47 5.689 -4.648 -1.124 1.00 0.00 C ATOM 1537 CG MET B 47 6.222 -5.736 -2.066 1.00 0.00 C ATOM 1538 SD MET B 47 5.120 -6.190 -3.438 1.00 0.00 S ATOM 1539 CE MET B 47 5.320 -4.751 -4.517 1.00 0.00 C ATOM 0 H MET B 47 6.444 -6.376 0.486 1.00 0.00 H new ATOM 0 HA MET B 47 7.608 -4.041 -0.472 1.00 0.00 H new ATOM 0 HB2 MET B 47 4.735 -4.965 -0.702 1.00 0.00 H new ATOM 0 HB3 MET B 47 5.500 -3.735 -1.689 1.00 0.00 H new ATOM 0 HG2 MET B 47 7.172 -5.399 -2.482 1.00 0.00 H new ATOM 0 HG3 MET B 47 6.430 -6.630 -1.479 1.00 0.00 H new ATOM 0 HE1 MET B 47 4.705 -4.876 -5.408 1.00 0.00 H new ATOM 0 HE2 MET B 47 5.010 -3.852 -3.985 1.00 0.00 H new ATOM 0 HE3 MET B 47 6.366 -4.657 -4.808 1.00 0.00 H new ATOM 1549 N LEU B 48 5.189 -3.571 1.777 1.00 0.00 N ATOM 1550 CA LEU B 48 4.592 -2.710 2.766 1.00 0.00 C ATOM 1551 C LEU B 48 5.622 -2.170 3.767 1.00 0.00 C ATOM 1552 O LEU B 48 5.596 -0.987 4.091 1.00 0.00 O ATOM 1553 CB LEU B 48 3.587 -3.602 3.485 1.00 0.00 C ATOM 1554 CG LEU B 48 2.357 -3.995 2.644 1.00 0.00 C ATOM 1555 CD1 LEU B 48 1.352 -2.842 2.617 1.00 0.00 C ATOM 1556 CD2 LEU B 48 2.513 -4.531 1.225 1.00 0.00 C ATOM 0 H LEU B 48 4.770 -4.501 1.773 1.00 0.00 H new ATOM 0 HA LEU B 48 4.142 -1.832 2.303 1.00 0.00 H new ATOM 0 HB2 LEU B 48 4.095 -4.511 3.808 1.00 0.00 H new ATOM 0 HB3 LEU B 48 3.246 -3.090 4.385 1.00 0.00 H new ATOM 0 HG LEU B 48 2.029 -4.881 3.187 1.00 0.00 H new ATOM 0 HD11 LEU B 48 0.486 -3.128 2.020 1.00 0.00 H new ATOM 0 HD12 LEU B 48 1.033 -2.614 3.634 1.00 0.00 H new ATOM 0 HD13 LEU B 48 1.820 -1.961 2.177 1.00 0.00 H new ATOM 0 HD21 LEU B 48 1.530 -4.747 0.808 1.00 0.00 H new ATOM 0 HD22 LEU B 48 3.013 -3.785 0.607 1.00 0.00 H new ATOM 0 HD23 LEU B 48 3.108 -5.444 1.244 1.00 0.00 H new ATOM 1568 N LEU B 49 6.513 -3.038 4.265 1.00 0.00 N ATOM 1569 CA LEU B 49 7.550 -2.713 5.244 1.00 0.00 C ATOM 1570 C LEU B 49 8.288 -1.397 4.972 1.00 0.00 C ATOM 1571 O LEU B 49 8.370 -0.559 5.868 1.00 0.00 O ATOM 1572 CB LEU B 49 8.525 -3.873 5.407 1.00 0.00 C ATOM 1573 CG LEU B 49 9.414 -3.703 6.647 1.00 0.00 C ATOM 1574 CD1 LEU B 49 8.638 -3.804 7.967 1.00 0.00 C ATOM 1575 CD2 LEU B 49 10.446 -4.817 6.600 1.00 0.00 C ATOM 0 H LEU B 49 6.529 -4.019 3.985 1.00 0.00 H new ATOM 0 HA LEU B 49 7.025 -2.554 6.186 1.00 0.00 H new ATOM 0 HB2 LEU B 49 7.968 -4.807 5.485 1.00 0.00 H new ATOM 0 HB3 LEU B 49 9.152 -3.948 4.518 1.00 0.00 H new ATOM 0 HG LEU B 49 9.858 -2.708 6.623 1.00 0.00 H new ATOM 0 HD11 LEU B 49 9.325 -3.675 8.804 1.00 0.00 H new ATOM 0 HD12 LEU B 49 7.875 -3.026 8.001 1.00 0.00 H new ATOM 0 HD13 LEU B 49 8.162 -4.782 8.036 1.00 0.00 H new ATOM 0 HD21 LEU B 49 11.105 -4.739 7.465 1.00 0.00 H new ATOM 0 HD22 LEU B 49 9.940 -5.782 6.615 1.00 0.00 H new ATOM 0 HD23 LEU B 49 11.034 -4.730 5.686 1.00 0.00 H new ATOM 1587 N ARG B 50 8.831 -1.205 3.760 1.00 0.00 N ATOM 1588 CA ARG B 50 9.556 0.016 3.433 1.00 0.00 C ATOM 1589 C ARG B 50 8.613 1.214 3.347 1.00 0.00 C ATOM 1590 O ARG B 50 8.989 2.284 3.811 1.00 0.00 O ATOM 1591 CB ARG B 50 10.450 -0.143 2.201 1.00 0.00 C ATOM 1592 CG ARG B 50 11.543 -1.202 2.348 1.00 0.00 C ATOM 1593 CD ARG B 50 12.682 -0.698 3.209 1.00 0.00 C ATOM 1594 NE ARG B 50 13.668 -1.759 3.457 1.00 0.00 N ATOM 1595 CZ ARG B 50 14.892 -1.562 3.976 1.00 0.00 C ATOM 1596 NH1 ARG B 50 15.315 -0.333 4.308 1.00 0.00 N ATOM 1597 NH2 ARG B 50 15.706 -2.609 4.163 1.00 0.00 N ATOM 0 H ARG B 50 8.778 -1.881 2.998 1.00 0.00 H new ATOM 0 HA ARG B 50 10.242 0.219 4.256 1.00 0.00 H new ATOM 0 HB2 ARG B 50 9.826 -0.398 1.345 1.00 0.00 H new ATOM 0 HB3 ARG B 50 10.918 0.816 1.980 1.00 0.00 H new ATOM 0 HG2 ARG B 50 11.121 -2.105 2.790 1.00 0.00 H new ATOM 0 HG3 ARG B 50 11.922 -1.476 1.363 1.00 0.00 H new ATOM 0 HD2 ARG B 50 13.167 0.146 2.718 1.00 0.00 H new ATOM 0 HD3 ARG B 50 12.290 -0.332 4.158 1.00 0.00 H new ATOM 0 HE ARG B 50 13.404 -2.715 3.218 1.00 0.00 H new ATOM 0 HH11 ARG B 50 14.704 0.472 4.168 1.00 0.00 H new ATOM 0 HH12 ARG B 50 16.247 -0.203 4.701 1.00 0.00 H new ATOM 0 HH21 ARG B 50 15.395 -3.548 3.912 1.00 0.00 H new ATOM 0 HH22 ARG B 50 16.636 -2.468 4.556 1.00 0.00 H new ATOM 1611 N LEU B 51 7.409 1.071 2.772 1.00 0.00 N ATOM 1612 CA LEU B 51 6.404 2.116 2.771 1.00 0.00 C ATOM 1613 C LEU B 51 6.122 2.571 4.207 1.00 0.00 C ATOM 1614 O LEU B 51 5.867 3.745 4.437 1.00 0.00 O ATOM 1615 CB LEU B 51 5.137 1.585 2.087 1.00 0.00 C ATOM 1616 CG LEU B 51 5.216 1.751 0.568 1.00 0.00 C ATOM 1617 CD1 LEU B 51 6.362 1.042 -0.136 1.00 0.00 C ATOM 1618 CD2 LEU B 51 3.885 1.333 -0.073 1.00 0.00 C ATOM 0 H LEU B 51 7.115 0.218 2.295 1.00 0.00 H new ATOM 0 HA LEU B 51 6.761 2.984 2.216 1.00 0.00 H new ATOM 0 HB2 LEU B 51 5.002 0.532 2.334 1.00 0.00 H new ATOM 0 HB3 LEU B 51 4.265 2.116 2.468 1.00 0.00 H new ATOM 0 HG LEU B 51 5.422 2.812 0.427 1.00 0.00 H new ATOM 0 HD11 LEU B 51 6.307 1.237 -1.207 1.00 0.00 H new ATOM 0 HD12 LEU B 51 7.311 1.411 0.252 1.00 0.00 H new ATOM 0 HD13 LEU B 51 6.290 -0.031 0.041 1.00 0.00 H new ATOM 0 HD21 LEU B 51 3.948 1.454 -1.154 1.00 0.00 H new ATOM 0 HD22 LEU B 51 3.679 0.289 0.164 1.00 0.00 H new ATOM 0 HD23 LEU B 51 3.082 1.959 0.316 1.00 0.00 H new ATOM 1630 N ILE B 52 6.186 1.660 5.182 1.00 0.00 N ATOM 1631 CA ILE B 52 5.989 1.973 6.588 1.00 0.00 C ATOM 1632 C ILE B 52 7.203 2.710 7.169 1.00 0.00 C ATOM 1633 O ILE B 52 7.040 3.532 8.070 1.00 0.00 O ATOM 1634 CB ILE B 52 5.564 0.696 7.330 1.00 0.00 C ATOM 1635 CG1 ILE B 52 4.207 0.257 6.748 1.00 0.00 C ATOM 1636 CG2 ILE B 52 5.441 0.931 8.841 1.00 0.00 C ATOM 1637 CD1 ILE B 52 3.863 -1.194 7.063 1.00 0.00 C ATOM 0 H ILE B 52 6.379 0.674 5.008 1.00 0.00 H new ATOM 0 HA ILE B 52 5.173 2.683 6.721 1.00 0.00 H new ATOM 0 HB ILE B 52 6.321 -0.077 7.193 1.00 0.00 H new ATOM 0 HG12 ILE B 52 3.423 0.904 7.142 1.00 0.00 H new ATOM 0 HG13 ILE B 52 4.220 0.395 5.667 1.00 0.00 H new ATOM 0 HG21 ILE B 52 5.139 0.005 9.330 1.00 0.00 H new ATOM 0 HG22 ILE B 52 6.403 1.254 9.239 1.00 0.00 H new ATOM 0 HG23 ILE B 52 4.693 1.702 9.030 1.00 0.00 H new ATOM 0 HD11 ILE B 52 2.896 -1.442 6.626 1.00 0.00 H new ATOM 0 HD12 ILE B 52 4.628 -1.848 6.645 1.00 0.00 H new ATOM 0 HD13 ILE B 52 3.819 -1.331 8.143 1.00 0.00 H new ATOM 1649 N LYS B 53 8.405 2.458 6.634 1.00 0.00 N ATOM 1650 CA LYS B 53 9.639 3.100 7.056 1.00 0.00 C ATOM 1651 C LYS B 53 9.770 4.506 6.453 1.00 0.00 C ATOM 1652 O LYS B 53 10.092 5.453 7.168 1.00 0.00 O ATOM 1653 CB LYS B 53 10.824 2.212 6.649 1.00 0.00 C ATOM 1654 CG LYS B 53 12.140 2.704 7.259 1.00 0.00 C ATOM 1655 CD LYS B 53 13.309 1.839 6.773 1.00 0.00 C ATOM 1656 CE LYS B 53 14.619 2.318 7.404 1.00 0.00 C ATOM 1657 NZ LYS B 53 15.762 1.511 6.947 1.00 0.00 N ATOM 0 H LYS B 53 8.540 1.785 5.879 1.00 0.00 H new ATOM 0 HA LYS B 53 9.630 3.219 8.139 1.00 0.00 H new ATOM 0 HB2 LYS B 53 10.636 1.187 6.968 1.00 0.00 H new ATOM 0 HB3 LYS B 53 10.910 2.197 5.563 1.00 0.00 H new ATOM 0 HG2 LYS B 53 12.310 3.745 6.983 1.00 0.00 H new ATOM 0 HG3 LYS B 53 12.080 2.668 8.347 1.00 0.00 H new ATOM 0 HD2 LYS B 53 13.132 0.796 7.033 1.00 0.00 H new ATOM 0 HD3 LYS B 53 13.381 1.889 5.686 1.00 0.00 H new ATOM 0 HE2 LYS B 53 14.786 3.365 7.149 1.00 0.00 H new ATOM 0 HE3 LYS B 53 14.543 2.262 8.490 1.00 0.00 H new ATOM 0 HZ1 LYS B 53 16.634 1.861 7.393 1.00 0.00 H new ATOM 0 HZ2 LYS B 53 15.613 0.516 7.212 1.00 0.00 H new ATOM 0 HZ3 LYS B 53 15.848 1.585 5.913 1.00 0.00 H new ATOM 1671 N LYS B 54 9.509 4.636 5.144 1.00 0.00 N ATOM 1672 CA LYS B 54 9.617 5.873 4.378 1.00 0.00 C ATOM 1673 C LYS B 54 8.342 6.721 4.440 1.00 0.00 C ATOM 1674 O LYS B 54 8.400 7.910 4.133 1.00 0.00 O ATOM 1675 CB LYS B 54 10.019 5.537 2.938 1.00 0.00 C ATOM 1676 CG LYS B 54 11.425 4.922 2.913 1.00 0.00 C ATOM 1677 CD LYS B 54 11.856 4.559 1.489 1.00 0.00 C ATOM 1678 CE LYS B 54 13.326 4.127 1.439 1.00 0.00 C ATOM 1679 NZ LYS B 54 13.589 2.948 2.282 1.00 0.00 N ATOM 0 H LYS B 54 9.205 3.847 4.573 1.00 0.00 H new ATOM 0 HA LYS B 54 10.393 6.492 4.829 1.00 0.00 H new ATOM 0 HB2 LYS B 54 9.301 4.840 2.505 1.00 0.00 H new ATOM 0 HB3 LYS B 54 9.997 6.439 2.326 1.00 0.00 H new ATOM 0 HG2 LYS B 54 12.138 5.626 3.341 1.00 0.00 H new ATOM 0 HG3 LYS B 54 11.444 4.029 3.538 1.00 0.00 H new ATOM 0 HD2 LYS B 54 11.226 3.754 1.111 1.00 0.00 H new ATOM 0 HD3 LYS B 54 11.705 5.416 0.833 1.00 0.00 H new ATOM 0 HE2 LYS B 54 13.602 3.904 0.409 1.00 0.00 H new ATOM 0 HE3 LYS B 54 13.957 4.953 1.766 1.00 0.00 H new ATOM 0 HZ1 LYS B 54 14.574 2.641 2.152 1.00 0.00 H new ATOM 0 HZ2 LYS B 54 13.432 3.193 3.280 1.00 0.00 H new ATOM 0 HZ3 LYS B 54 12.947 2.176 2.010 1.00 0.00 H new ATOM 1693 N GLY B 55 7.206 6.130 4.838 1.00 0.00 N ATOM 1694 CA GLY B 55 5.958 6.842 5.062 1.00 0.00 C ATOM 1695 C GLY B 55 4.814 6.731 4.049 1.00 0.00 C ATOM 1696 O GLY B 55 3.888 7.528 4.204 1.00 0.00 O ATOM 0 H GLY B 55 7.137 5.128 5.014 1.00 0.00 H new ATOM 0 HA2 GLY B 55 5.568 6.516 6.026 1.00 0.00 H new ATOM 0 HA3 GLY B 55 6.202 7.900 5.159 1.00 0.00 H new ATOM 1700 N ALA B 56 4.792 5.831 3.042 1.00 0.00 N ATOM 1701 CA ALA B 56 3.591 5.788 2.208 1.00 0.00 C ATOM 1702 C ALA B 56 2.404 5.249 3.026 1.00 0.00 C ATOM 1703 O ALA B 56 1.354 5.880 3.074 1.00 0.00 O ATOM 1704 CB ALA B 56 3.800 4.957 0.942 1.00 0.00 C ATOM 0 H ALA B 56 5.535 5.174 2.804 1.00 0.00 H new ATOM 0 HA ALA B 56 3.371 6.806 1.886 1.00 0.00 H new ATOM 0 HB1 ALA B 56 2.882 4.953 0.354 1.00 0.00 H new ATOM 0 HB2 ALA B 56 4.608 5.390 0.352 1.00 0.00 H new ATOM 0 HB3 ALA B 56 4.059 3.934 1.217 1.00 0.00 H new ATOM 1710 N LEU B 57 2.581 4.099 3.689 1.00 0.00 N ATOM 1711 CA LEU B 57 1.576 3.405 4.497 1.00 0.00 C ATOM 1712 C LEU B 57 2.003 3.340 5.968 1.00 0.00 C ATOM 1713 O LEU B 57 3.131 3.689 6.296 1.00 0.00 O ATOM 1714 CB LEU B 57 1.363 1.996 3.928 1.00 0.00 C ATOM 1715 CG LEU B 57 0.279 1.906 2.839 1.00 0.00 C ATOM 1716 CD1 LEU B 57 0.356 2.960 1.724 1.00 0.00 C ATOM 1717 CD2 LEU B 57 0.385 0.516 2.213 1.00 0.00 C ATOM 0 H LEU B 57 3.473 3.605 3.674 1.00 0.00 H new ATOM 0 HA LEU B 57 0.638 3.958 4.455 1.00 0.00 H new ATOM 0 HB2 LEU B 57 2.306 1.638 3.515 1.00 0.00 H new ATOM 0 HB3 LEU B 57 1.097 1.324 4.744 1.00 0.00 H new ATOM 0 HG LEU B 57 -0.673 2.097 3.334 1.00 0.00 H new ATOM 0 HD11 LEU B 57 -0.456 2.799 1.015 1.00 0.00 H new ATOM 0 HD12 LEU B 57 0.267 3.956 2.158 1.00 0.00 H new ATOM 0 HD13 LEU B 57 1.312 2.874 1.207 1.00 0.00 H new ATOM 0 HD21 LEU B 57 -0.369 0.410 1.433 1.00 0.00 H new ATOM 0 HD22 LEU B 57 1.377 0.387 1.779 1.00 0.00 H new ATOM 0 HD23 LEU B 57 0.223 -0.242 2.980 1.00 0.00 H new ATOM 1729 N ASN B 58 1.064 2.990 6.861 1.00 0.00 N ATOM 1730 CA ASN B 58 1.287 2.824 8.296 1.00 0.00 C ATOM 1731 C ASN B 58 0.483 1.621 8.804 1.00 0.00 C ATOM 1732 O ASN B 58 -0.697 1.531 8.473 1.00 0.00 O ATOM 1733 CB ASN B 58 0.876 4.114 9.018 1.00 0.00 C ATOM 1734 CG ASN B 58 0.892 3.952 10.537 1.00 0.00 C ATOM 1735 OD1 ASN B 58 1.936 4.102 11.169 1.00 0.00 O ATOM 1736 ND2 ASN B 58 -0.269 3.646 11.125 1.00 0.00 N ATOM 0 H ASN B 58 0.098 2.810 6.589 1.00 0.00 H new ATOM 0 HA ASN B 58 2.341 2.634 8.497 1.00 0.00 H new ATOM 0 HB2 ASN B 58 1.552 4.920 8.733 1.00 0.00 H new ATOM 0 HB3 ASN B 58 -0.123 4.407 8.696 1.00 0.00 H new ATOM 0 HD21 ASN B 58 -0.312 3.528 12.137 1.00 0.00 H new ATOM 0 HD22 ASN B 58 -1.111 3.531 10.561 1.00 0.00 H new ATOM 1743 N HIS B 59 1.070 0.727 9.625 1.00 0.00 N ATOM 1744 CA HIS B 59 0.348 -0.421 10.164 1.00 0.00 C ATOM 1745 C HIS B 59 -0.242 -0.148 11.546 1.00 0.00 C ATOM 1746 O HIS B 59 0.300 0.641 12.319 1.00 0.00 O ATOM 1747 CB HIS B 59 1.237 -1.672 10.193 1.00 0.00 C ATOM 1748 CG HIS B 59 2.627 -1.538 10.768 1.00 0.00 C ATOM 1749 ND1 HIS B 59 2.973 -0.544 11.684 1.00 0.00 N ATOM 1750 CD2 HIS B 59 3.711 -2.353 10.571 1.00 0.00 C ATOM 1751 CE1 HIS B 59 4.248 -0.795 11.995 1.00 0.00 C ATOM 1752 NE2 HIS B 59 4.737 -1.869 11.354 1.00 0.00 N ATOM 0 H HIS B 59 2.043 0.787 9.924 1.00 0.00 H new ATOM 0 HA HIS B 59 -0.488 -0.604 9.490 1.00 0.00 H new ATOM 0 HB2 HIS B 59 0.713 -2.441 10.760 1.00 0.00 H new ATOM 0 HB3 HIS B 59 1.332 -2.039 9.171 1.00 0.00 H new ATOM 0 HD1 HIS B 59 2.383 0.209 12.038 1.00 0.00 H new ATOM 0 HD2 HIS B 59 3.754 -3.215 9.922 1.00 0.00 H new ATOM 0 HE1 HIS B 59 4.823 -0.198 12.687 1.00 0.00 H new ATOM 1760 N HIS B 60 -1.376 -0.807 11.831 1.00 0.00 N ATOM 1761 CA HIS B 60 -2.078 -0.708 13.101 1.00 0.00 C ATOM 1762 C HIS B 60 -2.736 -2.041 13.456 1.00 0.00 C ATOM 1763 O HIS B 60 -3.631 -2.480 12.739 1.00 0.00 O ATOM 1764 CB HIS B 60 -3.125 0.412 13.033 1.00 0.00 C ATOM 1765 CG HIS B 60 -4.035 0.449 14.238 1.00 0.00 C ATOM 1766 ND1 HIS B 60 -3.533 0.385 15.539 1.00 0.00 N ATOM 1767 CD2 HIS B 60 -5.403 0.475 14.292 1.00 0.00 C ATOM 1768 CE1 HIS B 60 -4.616 0.365 16.322 1.00 0.00 C ATOM 1769 NE2 HIS B 60 -5.761 0.418 15.623 1.00 0.00 N ATOM 0 H HIS B 60 -1.832 -1.433 11.167 1.00 0.00 H new ATOM 0 HA HIS B 60 -1.358 -0.468 13.884 1.00 0.00 H new ATOM 0 HB2 HIS B 60 -2.616 1.371 12.940 1.00 0.00 H new ATOM 0 HB3 HIS B 60 -3.728 0.283 12.134 1.00 0.00 H new ATOM 0 HD2 HIS B 60 -6.076 0.530 13.449 1.00 0.00 H new ATOM 0 HE1 HIS B 60 -4.575 0.312 17.400 1.00 0.00 H new ATOM 0 HE2 HIS B 60 -6.708 0.416 16.001 1.00 0.00 H new ATOM 1777 N LYS B 61 -2.368 -2.609 14.616 1.00 0.00 N ATOM 1778 CA LYS B 61 -2.895 -3.860 15.148 1.00 0.00 C ATOM 1779 C LYS B 61 -4.203 -3.506 15.851 1.00 0.00 C ATOM 1780 O LYS B 61 -4.222 -3.090 17.009 1.00 0.00 O ATOM 1781 CB LYS B 61 -1.881 -4.474 16.124 1.00 0.00 C ATOM 1782 CG LYS B 61 -0.612 -4.923 15.386 1.00 0.00 C ATOM 1783 CD LYS B 61 0.380 -5.650 16.302 1.00 0.00 C ATOM 1784 CE LYS B 61 0.990 -4.722 17.359 1.00 0.00 C ATOM 1785 NZ LYS B 61 2.035 -5.412 18.133 1.00 0.00 N ATOM 0 H LYS B 61 -1.668 -2.187 15.226 1.00 0.00 H new ATOM 0 HA LYS B 61 -3.072 -4.598 14.366 1.00 0.00 H new ATOM 0 HB2 LYS B 61 -1.621 -3.745 16.891 1.00 0.00 H new ATOM 0 HB3 LYS B 61 -2.331 -5.326 16.633 1.00 0.00 H new ATOM 0 HG2 LYS B 61 -0.889 -5.581 14.563 1.00 0.00 H new ATOM 0 HG3 LYS B 61 -0.124 -4.052 14.948 1.00 0.00 H new ATOM 0 HD2 LYS B 61 -0.128 -6.477 16.798 1.00 0.00 H new ATOM 0 HD3 LYS B 61 1.178 -6.082 15.698 1.00 0.00 H new ATOM 0 HE2 LYS B 61 1.414 -3.843 16.874 1.00 0.00 H new ATOM 0 HE3 LYS B 61 0.208 -4.369 18.032 1.00 0.00 H new ATOM 0 HZ1 LYS B 61 2.430 -4.760 18.841 1.00 0.00 H new ATOM 0 HZ2 LYS B 61 1.623 -6.237 18.614 1.00 0.00 H new ATOM 0 HZ3 LYS B 61 2.791 -5.727 17.492 1.00 0.00 H new ATOM 1799 N GLU B 62 -5.295 -3.666 15.091 1.00 0.00 N ATOM 1800 CA GLU B 62 -6.656 -3.330 15.478 1.00 0.00 C ATOM 1801 C GLU B 62 -7.403 -4.520 16.084 1.00 0.00 C ATOM 1802 O GLU B 62 -7.982 -5.319 15.351 1.00 0.00 O ATOM 1803 CB GLU B 62 -7.390 -2.793 14.237 1.00 0.00 C ATOM 1804 CG GLU B 62 -8.813 -2.291 14.527 1.00 0.00 C ATOM 1805 CD GLU B 62 -8.838 -1.141 15.531 1.00 0.00 C ATOM 1806 OE1 GLU B 62 -8.691 0.015 15.078 1.00 0.00 O ATOM 1807 OE2 GLU B 62 -9.008 -1.437 16.734 1.00 0.00 O ATOM 0 H GLU B 62 -5.242 -4.051 14.148 1.00 0.00 H new ATOM 0 HA GLU B 62 -6.622 -2.569 16.258 1.00 0.00 H new ATOM 0 HB2 GLU B 62 -6.808 -1.978 13.806 1.00 0.00 H new ATOM 0 HB3 GLU B 62 -7.439 -3.581 13.486 1.00 0.00 H new ATOM 0 HG2 GLU B 62 -9.276 -1.965 13.596 1.00 0.00 H new ATOM 0 HG3 GLU B 62 -9.414 -3.116 14.910 1.00 0.00 H new ATOM 1814 N GLY B 63 -7.411 -4.609 17.422 1.00 0.00 N ATOM 1815 CA GLY B 63 -8.111 -5.627 18.197 1.00 0.00 C ATOM 1816 C GLY B 63 -7.792 -7.061 17.776 1.00 0.00 C ATOM 1817 O GLY B 63 -6.948 -7.711 18.390 1.00 0.00 O ATOM 0 H GLY B 63 -6.908 -3.945 18.011 1.00 0.00 H new ATOM 0 HA2 GLY B 63 -7.858 -5.504 19.250 1.00 0.00 H new ATOM 0 HA3 GLY B 63 -9.185 -5.463 18.106 1.00 0.00 H new ATOM 1821 N ARG B 64 -8.496 -7.551 16.746 1.00 0.00 N ATOM 1822 CA ARG B 64 -8.346 -8.895 16.212 1.00 0.00 C ATOM 1823 C ARG B 64 -6.956 -9.047 15.598 1.00 0.00 C ATOM 1824 O ARG B 64 -6.067 -9.605 16.240 1.00 0.00 O ATOM 1825 CB ARG B 64 -9.473 -9.214 15.230 1.00 0.00 C ATOM 1826 CG ARG B 64 -10.660 -9.859 15.954 1.00 0.00 C ATOM 1827 CD ARG B 64 -11.477 -8.932 16.867 1.00 0.00 C ATOM 1828 NE ARG B 64 -10.804 -8.638 18.139 1.00 0.00 N ATOM 1829 CZ ARG B 64 -10.604 -9.504 19.148 1.00 0.00 C ATOM 1830 NH1 ARG B 64 -11.100 -10.749 19.110 1.00 0.00 N ATOM 1831 NH2 ARG B 64 -9.891 -9.111 20.213 1.00 0.00 N ATOM 0 H ARG B 64 -9.202 -7.002 16.255 1.00 0.00 H new ATOM 0 HA ARG B 64 -8.429 -9.626 17.016 1.00 0.00 H new ATOM 0 HB2 ARG B 64 -9.798 -8.300 14.733 1.00 0.00 H new ATOM 0 HB3 ARG B 64 -9.106 -9.886 14.454 1.00 0.00 H new ATOM 0 HG2 ARG B 64 -11.330 -10.282 15.206 1.00 0.00 H new ATOM 0 HG3 ARG B 64 -10.287 -10.690 16.553 1.00 0.00 H new ATOM 0 HD2 ARG B 64 -11.675 -7.997 16.343 1.00 0.00 H new ATOM 0 HD3 ARG B 64 -12.443 -9.393 17.072 1.00 0.00 H new ATOM 0 HE ARG B 64 -10.456 -7.688 18.269 1.00 0.00 H new ATOM 0 HH11 ARG B 64 -11.643 -11.057 18.303 1.00 0.00 H new ATOM 0 HH12 ARG B 64 -10.935 -11.388 19.888 1.00 0.00 H new ATOM 0 HH21 ARG B 64 -9.509 -8.166 20.250 1.00 0.00 H new ATOM 0 HH22 ARG B 64 -9.731 -9.757 20.986 1.00 0.00 H new ATOM 1845 N VAL B 65 -6.765 -8.560 14.364 1.00 0.00 N ATOM 1846 CA VAL B 65 -5.564 -8.573 13.609 1.00 0.00 C ATOM 1847 C VAL B 65 -5.484 -7.149 13.031 1.00 0.00 C ATOM 1848 O VAL B 65 -6.404 -6.341 13.171 1.00 0.00 O ATOM 1849 CB VAL B 65 -5.655 -9.740 12.611 1.00 0.00 C ATOM 1850 CG1 VAL B 65 -5.860 -11.081 13.331 1.00 0.00 C ATOM 1851 CG2 VAL B 65 -6.774 -9.559 11.562 1.00 0.00 C ATOM 0 H VAL B 65 -7.527 -8.116 13.851 1.00 0.00 H new ATOM 0 HA VAL B 65 -4.634 -8.764 14.145 1.00 0.00 H new ATOM 0 HB VAL B 65 -4.699 -9.743 12.087 1.00 0.00 H new ATOM 0 HG11 VAL B 65 -5.920 -11.883 12.596 1.00 0.00 H new ATOM 0 HG12 VAL B 65 -5.021 -11.266 14.002 1.00 0.00 H new ATOM 0 HG13 VAL B 65 -6.785 -11.047 13.907 1.00 0.00 H new ATOM 0 HG21 VAL B 65 -6.784 -10.416 10.889 1.00 0.00 H new ATOM 0 HG22 VAL B 65 -7.737 -9.483 12.067 1.00 0.00 H new ATOM 0 HG23 VAL B 65 -6.592 -8.650 10.989 1.00 0.00 H new ATOM 1861 N PHE B 66 -4.374 -6.838 12.381 1.00 0.00 N ATOM 1862 CA PHE B 66 -4.013 -5.529 11.870 1.00 0.00 C ATOM 1863 C PHE B 66 -4.604 -5.093 10.537 1.00 0.00 C ATOM 1864 O PHE B 66 -5.024 -5.914 9.727 1.00 0.00 O ATOM 1865 CB PHE B 66 -2.496 -5.408 11.817 1.00 0.00 C ATOM 1866 CG PHE B 66 -1.935 -5.189 10.420 1.00 0.00 C ATOM 1867 CD1 PHE B 66 -2.213 -6.069 9.347 1.00 0.00 C ATOM 1868 CD2 PHE B 66 -1.453 -3.907 10.134 1.00 0.00 C ATOM 1869 CE1 PHE B 66 -2.127 -5.627 8.032 1.00 0.00 C ATOM 1870 CE2 PHE B 66 -1.363 -3.476 8.811 1.00 0.00 C ATOM 1871 CZ PHE B 66 -1.841 -4.299 7.788 1.00 0.00 C ATOM 0 H PHE B 66 -3.658 -7.538 12.185 1.00 0.00 H new ATOM 0 HA PHE B 66 -4.472 -4.844 12.583 1.00 0.00 H new ATOM 0 HB2 PHE B 66 -2.187 -4.580 12.454 1.00 0.00 H new ATOM 0 HB3 PHE B 66 -2.056 -6.313 12.235 1.00 0.00 H new ATOM 0 HD1 PHE B 66 -2.494 -7.092 9.551 1.00 0.00 H new ATOM 0 HD2 PHE B 66 -1.151 -3.252 10.938 1.00 0.00 H new ATOM 0 HE1 PHE B 66 -2.282 -6.313 7.213 1.00 0.00 H new ATOM 0 HE2 PHE B 66 -0.928 -2.515 8.579 1.00 0.00 H new ATOM 0 HZ PHE B 66 -1.988 -3.893 6.798 1.00 0.00 H new ATOM 1881 N VAL B 67 -4.706 -3.771 10.375 1.00 0.00 N ATOM 1882 CA VAL B 67 -5.103 -3.089 9.190 1.00 0.00 C ATOM 1883 C VAL B 67 -4.041 -2.047 8.791 1.00 0.00 C ATOM 1884 O VAL B 67 -3.524 -1.322 9.641 1.00 0.00 O ATOM 1885 CB VAL B 67 -6.471 -2.484 9.434 1.00 0.00 C ATOM 1886 CG1 VAL B 67 -7.365 -3.420 10.251 1.00 0.00 C ATOM 1887 CG2 VAL B 67 -6.421 -1.072 10.009 1.00 0.00 C ATOM 0 H VAL B 67 -4.493 -3.125 11.135 1.00 0.00 H new ATOM 0 HA VAL B 67 -5.178 -3.775 8.346 1.00 0.00 H new ATOM 0 HB VAL B 67 -6.931 -2.373 8.452 1.00 0.00 H new ATOM 0 HG11 VAL B 67 -8.337 -2.952 10.405 1.00 0.00 H new ATOM 0 HG12 VAL B 67 -7.496 -4.359 9.713 1.00 0.00 H new ATOM 0 HG13 VAL B 67 -6.899 -3.617 11.217 1.00 0.00 H new ATOM 0 HG21 VAL B 67 -7.436 -0.703 10.157 1.00 0.00 H new ATOM 0 HG22 VAL B 67 -5.897 -1.087 10.965 1.00 0.00 H new ATOM 0 HG23 VAL B 67 -5.894 -0.416 9.316 1.00 0.00 H new ATOM 1897 N TYR B 68 -3.776 -1.944 7.484 1.00 0.00 N ATOM 1898 CA TYR B 68 -2.804 -0.979 6.921 1.00 0.00 C ATOM 1899 C TYR B 68 -3.627 0.249 6.529 1.00 0.00 C ATOM 1900 O TYR B 68 -4.540 0.173 5.709 1.00 0.00 O ATOM 1901 CB TYR B 68 -2.184 -1.394 5.554 1.00 0.00 C ATOM 1902 CG TYR B 68 -1.017 -2.361 5.459 1.00 0.00 C ATOM 1903 CD1 TYR B 68 0.117 -2.225 6.282 1.00 0.00 C ATOM 1904 CD2 TYR B 68 -1.129 -3.490 4.621 1.00 0.00 C ATOM 1905 CE1 TYR B 68 1.001 -3.311 6.435 1.00 0.00 C ATOM 1906 CE2 TYR B 68 -0.238 -4.566 4.763 1.00 0.00 C ATOM 1907 CZ TYR B 68 0.809 -4.491 5.696 1.00 0.00 C ATOM 1908 OH TYR B 68 1.655 -5.549 5.861 1.00 0.00 O ATOM 0 H TYR B 68 -4.227 -2.526 6.778 1.00 0.00 H new ATOM 0 HA TYR B 68 -2.017 -0.865 7.666 1.00 0.00 H new ATOM 0 HB2 TYR B 68 -2.992 -1.818 4.958 1.00 0.00 H new ATOM 0 HB3 TYR B 68 -1.871 -0.475 5.059 1.00 0.00 H new ATOM 0 HD1 TYR B 68 0.308 -1.293 6.793 1.00 0.00 H new ATOM 0 HD2 TYR B 68 -1.902 -3.527 3.868 1.00 0.00 H new ATOM 0 HE1 TYR B 68 1.830 -3.237 7.123 1.00 0.00 H new ATOM 0 HE2 TYR B 68 -0.358 -5.451 4.155 1.00 0.00 H new ATOM 0 HH TYR B 68 1.147 -6.329 6.168 1.00 0.00 H new ATOM 1918 N THR B 69 -3.254 1.386 7.129 1.00 0.00 N ATOM 1919 CA THR B 69 -3.867 2.692 6.967 1.00 0.00 C ATOM 1920 C THR B 69 -3.031 3.541 6.001 1.00 0.00 C ATOM 1921 O THR B 69 -1.895 3.878 6.335 1.00 0.00 O ATOM 1922 CB THR B 69 -3.987 3.372 8.345 1.00 0.00 C ATOM 1923 OG1 THR B 69 -2.727 3.523 8.970 1.00 0.00 O ATOM 1924 CG2 THR B 69 -4.904 2.581 9.285 1.00 0.00 C ATOM 0 H THR B 69 -2.468 1.410 7.778 1.00 0.00 H new ATOM 0 HA THR B 69 -4.866 2.585 6.545 1.00 0.00 H new ATOM 0 HB THR B 69 -4.416 4.357 8.159 1.00 0.00 H new ATOM 0 HG1 THR B 69 -2.027 3.577 8.286 1.00 0.00 H new ATOM 0 HG21 THR B 69 -4.965 3.090 10.247 1.00 0.00 H new ATOM 0 HG22 THR B 69 -5.900 2.511 8.848 1.00 0.00 H new ATOM 0 HG23 THR B 69 -4.500 1.579 9.430 1.00 0.00 H new ATOM 1932 N PRO B 70 -3.551 3.888 4.808 1.00 0.00 N ATOM 1933 CA PRO B 70 -2.853 4.723 3.839 1.00 0.00 C ATOM 1934 C PRO B 70 -2.476 6.074 4.458 1.00 0.00 C ATOM 1935 O PRO B 70 -3.341 6.921 4.677 1.00 0.00 O ATOM 1936 CB PRO B 70 -3.809 4.868 2.646 1.00 0.00 C ATOM 1937 CG PRO B 70 -4.655 3.600 2.728 1.00 0.00 C ATOM 1938 CD PRO B 70 -4.788 3.385 4.233 1.00 0.00 C ATOM 0 HA PRO B 70 -1.911 4.280 3.518 1.00 0.00 H new ATOM 0 HB2 PRO B 70 -4.420 5.767 2.726 1.00 0.00 H new ATOM 0 HB3 PRO B 70 -3.269 4.932 1.701 1.00 0.00 H new ATOM 0 HG2 PRO B 70 -5.626 3.729 2.250 1.00 0.00 H new ATOM 0 HG3 PRO B 70 -4.168 2.756 2.239 1.00 0.00 H new ATOM 0 HD2 PRO B 70 -5.651 3.919 4.631 1.00 0.00 H new ATOM 0 HD3 PRO B 70 -4.929 2.330 4.468 1.00 0.00 H new ATOM 1946 N ASN B 71 -1.183 6.262 4.754 1.00 0.00 N ATOM 1947 CA ASN B 71 -0.659 7.483 5.355 1.00 0.00 C ATOM 1948 C ASN B 71 -0.651 8.662 4.365 1.00 0.00 C ATOM 1949 O ASN B 71 -0.431 9.797 4.785 1.00 0.00 O ATOM 1950 CB ASN B 71 0.719 7.200 5.976 1.00 0.00 C ATOM 1951 CG ASN B 71 1.244 8.361 6.816 1.00 0.00 C ATOM 1952 OD1 ASN B 71 0.677 8.679 7.860 1.00 0.00 O ATOM 1953 ND2 ASN B 71 2.331 8.996 6.367 1.00 0.00 N ATOM 0 H ASN B 71 -0.467 5.557 4.578 1.00 0.00 H new ATOM 0 HA ASN B 71 -1.327 7.798 6.157 1.00 0.00 H new ATOM 0 HB2 ASN B 71 0.654 6.308 6.599 1.00 0.00 H new ATOM 0 HB3 ASN B 71 1.432 6.982 5.181 1.00 0.00 H new ATOM 0 HD21 ASN B 71 2.721 9.776 6.896 1.00 0.00 H new ATOM 0 HD22 ASN B 71 2.771 8.700 5.496 1.00 0.00 H new ATOM 1960 N ILE B 72 -0.922 8.405 3.074 1.00 0.00 N ATOM 1961 CA ILE B 72 -0.990 9.406 2.013 1.00 0.00 C ATOM 1962 C ILE B 72 -2.429 9.539 1.508 1.00 0.00 C ATOM 1963 O ILE B 72 -3.143 8.547 1.365 1.00 0.00 O ATOM 1964 CB ILE B 72 0.002 9.116 0.866 1.00 0.00 C ATOM 1965 CG1 ILE B 72 -0.342 7.959 -0.099 1.00 0.00 C ATOM 1966 CG2 ILE B 72 1.431 9.002 1.404 1.00 0.00 C ATOM 1967 CD1 ILE B 72 -0.635 6.588 0.510 1.00 0.00 C ATOM 0 H ILE B 72 -1.105 7.460 2.736 1.00 0.00 H new ATOM 0 HA ILE B 72 -0.684 10.364 2.435 1.00 0.00 H new ATOM 0 HB ILE B 72 -0.092 9.989 0.220 1.00 0.00 H new ATOM 0 HG12 ILE B 72 -1.211 8.258 -0.685 1.00 0.00 H new ATOM 0 HG13 ILE B 72 0.488 7.846 -0.796 1.00 0.00 H new ATOM 0 HG21 ILE B 72 2.115 8.797 0.580 1.00 0.00 H new ATOM 0 HG22 ILE B 72 1.714 9.938 1.887 1.00 0.00 H new ATOM 0 HG23 ILE B 72 1.483 8.190 2.129 1.00 0.00 H new ATOM 0 HD11 ILE B 72 -0.860 5.877 -0.285 1.00 0.00 H new ATOM 0 HD12 ILE B 72 0.236 6.244 1.069 1.00 0.00 H new ATOM 0 HD13 ILE B 72 -1.490 6.663 1.181 1.00 0.00 H new