USER MOD reduce.3.24.130724 H: found=0, std=0, add=581, rem=0, adj=20 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 40 SER OG : rot 180:sc= 0.594 USER MOD Set 1.2: B 43 THR OG1 : rot 85:sc= 0.649 USER MOD Set 2.1: B 25 ASN : amide:sc= -0.113 K(o=-0.13,f=-1.2) USER MOD Set 2.2: B 27 ASN : amide:sc= -0.0133 X(o=-0.13,f=-0.11) USER MOD Single : B 6 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 8 SER OG : rot 180:sc= 0 USER MOD Single : B 15 MET CE :methyl 172:sc= -0.182 (180deg=-0.358) USER MOD Single : B 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 20 LYS NZ :NH3+ -169:sc=-1.61e-05 (180deg=-0.115) USER MOD Single : B 21 HIS : no HE2:sc= -0.236 K(o=-0.23,f=-1.3) 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 USER MOD Single : B 31 LYS NZ :NH3+ -169:sc=-0.000146 (180deg=-0.133) USER MOD Single : B 34 SER OG : rot -78:sc= 0.979 USER MOD Single : B 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 36 THR OG1 : rot 180:sc= -0.0176 USER MOD Single : B 37 SER OG : rot 146:sc= 1.46 USER MOD Single : B 38 THR OG1 : rot 180:sc= 0 USER MOD Single : B 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 45 GLN : amide:sc= -0.375 X(o=-0.38,f=0) USER MOD Single : B 46 THR OG1 : rot 180:sc= 0 USER MOD Single : B 47 MET CE :methyl -172:sc= 0 (180deg=-0.0259) USER MOD Single : B 53 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0487) USER MOD Single : B 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 58 ASN : amide:sc=-0.000762 X(o=-0.00076,f=-0.11) USER MOD Single : B 59 HIS : no HE2:sc= -1.39! X(o=-1.4!,f=-1.7) USER MOD Single : B 60 HIS : no HD1:sc= -0.0049 K(o=-0.0049,f=-1.4!) USER MOD Single : B 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 68 TYR OH : rot 90:sc= -0.728 USER MOD Single : B 69 THR OG1 : rot -50:sc= 0.563 USER MOD Single : B 71 ASN : amide:sc= -0.0247 X(o=-0.025,f=-0.025) USER MOD ----------------------------------------------------------------- ATOM 851 N PRO B 5 8.378 8.091 2.076 1.00 0.00 N ATOM 852 CA PRO B 5 8.858 6.753 1.771 1.00 0.00 C ATOM 853 C PRO B 5 9.532 6.734 0.397 1.00 0.00 C ATOM 854 O PRO B 5 9.083 7.414 -0.525 1.00 0.00 O ATOM 855 CB PRO B 5 7.626 5.851 1.828 1.00 0.00 C ATOM 856 CG PRO B 5 6.493 6.789 1.432 1.00 0.00 C ATOM 857 CD PRO B 5 6.922 8.110 2.068 1.00 0.00 C ATOM 0 HA PRO B 5 9.613 6.408 2.477 1.00 0.00 H new ATOM 0 HB2 PRO B 5 7.711 5.009 1.141 1.00 0.00 H new ATOM 0 HB3 PRO B 5 7.476 5.436 2.825 1.00 0.00 H new ATOM 0 HG2 PRO B 5 6.394 6.873 0.350 1.00 0.00 H new ATOM 0 HG3 PRO B 5 5.531 6.448 1.814 1.00 0.00 H new ATOM 0 HD2 PRO B 5 6.545 8.959 1.498 1.00 0.00 H new ATOM 0 HD3 PRO B 5 6.526 8.204 3.079 1.00 0.00 H new ATOM 865 N GLN B 6 10.620 5.963 0.275 1.00 0.00 N ATOM 866 CA GLN B 6 11.387 5.843 -0.956 1.00 0.00 C ATOM 867 C GLN B 6 10.652 4.911 -1.920 1.00 0.00 C ATOM 868 O GLN B 6 10.970 3.728 -2.018 1.00 0.00 O ATOM 869 CB GLN B 6 12.814 5.368 -0.648 1.00 0.00 C ATOM 870 CG GLN B 6 13.581 6.396 0.191 1.00 0.00 C ATOM 871 CD GLN B 6 15.012 5.937 0.454 1.00 0.00 C ATOM 872 OE1 GLN B 6 15.955 6.469 -0.130 1.00 0.00 O ATOM 873 NE2 GLN B 6 15.179 4.950 1.339 1.00 0.00 N ATOM 0 H GLN B 6 10.991 5.401 1.041 1.00 0.00 H new ATOM 0 HA GLN B 6 11.478 6.816 -1.440 1.00 0.00 H new ATOM 0 HB2 GLN B 6 12.775 4.418 -0.115 1.00 0.00 H new ATOM 0 HB3 GLN B 6 13.348 5.188 -1.581 1.00 0.00 H new ATOM 0 HG2 GLN B 6 13.593 7.355 -0.327 1.00 0.00 H new ATOM 0 HG3 GLN B 6 13.066 6.552 1.139 1.00 0.00 H new ATOM 0 HE21 GLN B 6 14.369 4.537 1.801 1.00 0.00 H new ATOM 0 HE22 GLN B 6 16.117 4.610 1.553 1.00 0.00 H new ATOM 882 N ILE B 7 9.700 5.481 -2.669 1.00 0.00 N ATOM 883 CA ILE B 7 8.858 4.768 -3.616 1.00 0.00 C ATOM 884 C ILE B 7 9.588 4.531 -4.934 1.00 0.00 C ATOM 885 O ILE B 7 10.294 5.397 -5.449 1.00 0.00 O ATOM 886 CB ILE B 7 7.543 5.545 -3.854 1.00 0.00 C ATOM 887 CG1 ILE B 7 6.648 5.404 -2.616 1.00 0.00 C ATOM 888 CG2 ILE B 7 6.798 5.062 -5.112 1.00 0.00 C ATOM 889 CD1 ILE B 7 5.328 6.165 -2.715 1.00 0.00 C ATOM 0 H ILE B 7 9.495 6.479 -2.626 1.00 0.00 H new ATOM 0 HA ILE B 7 8.617 3.794 -3.190 1.00 0.00 H new ATOM 0 HB ILE B 7 7.793 6.593 -4.020 1.00 0.00 H new ATOM 0 HG12 ILE B 7 6.435 4.348 -2.452 1.00 0.00 H new ATOM 0 HG13 ILE B 7 7.195 5.758 -1.742 1.00 0.00 H new ATOM 0 HG21 ILE B 7 5.881 5.638 -5.236 1.00 0.00 H new ATOM 0 HG22 ILE B 7 7.434 5.199 -5.987 1.00 0.00 H new ATOM 0 HG23 ILE B 7 6.551 4.006 -5.005 1.00 0.00 H new ATOM 0 HD11 ILE B 7 4.752 6.015 -1.802 1.00 0.00 H new ATOM 0 HD12 ILE B 7 5.530 7.228 -2.847 1.00 0.00 H new ATOM 0 HD13 ILE B 7 4.758 5.796 -3.568 1.00 0.00 H new ATOM 901 N SER B 8 9.367 3.323 -5.459 1.00 0.00 N ATOM 902 CA SER B 8 9.861 2.803 -6.719 1.00 0.00 C ATOM 903 C SER B 8 8.652 2.234 -7.464 1.00 0.00 C ATOM 904 O SER B 8 7.509 2.475 -7.071 1.00 0.00 O ATOM 905 CB SER B 8 10.913 1.725 -6.427 1.00 0.00 C ATOM 906 OG SER B 8 10.332 0.651 -5.714 1.00 0.00 O ATOM 0 H SER B 8 8.793 2.637 -4.970 1.00 0.00 H new ATOM 0 HA SER B 8 10.337 3.569 -7.331 1.00 0.00 H new ATOM 0 HB2 SER B 8 11.339 1.361 -7.362 1.00 0.00 H new ATOM 0 HB3 SER B 8 11.732 2.154 -5.849 1.00 0.00 H new ATOM 0 HG SER B 8 11.014 -0.030 -5.536 1.00 0.00 H new ATOM 912 N ASP B 9 8.888 1.475 -8.540 1.00 0.00 N ATOM 913 CA ASP B 9 7.811 0.839 -9.280 1.00 0.00 C ATOM 914 C ASP B 9 7.103 -0.144 -8.347 1.00 0.00 C ATOM 915 O ASP B 9 5.889 -0.068 -8.183 1.00 0.00 O ATOM 916 CB ASP B 9 8.384 0.141 -10.522 1.00 0.00 C ATOM 917 CG ASP B 9 7.315 -0.591 -11.335 1.00 0.00 C ATOM 918 OD1 ASP B 9 6.212 -0.022 -11.486 1.00 0.00 O ATOM 919 OD2 ASP B 9 7.624 -1.710 -11.799 1.00 0.00 O ATOM 0 H ASP B 9 9.820 1.291 -8.912 1.00 0.00 H new ATOM 0 HA ASP B 9 7.085 1.575 -9.626 1.00 0.00 H new ATOM 0 HB2 ASP B 9 8.873 0.881 -11.156 1.00 0.00 H new ATOM 0 HB3 ASP B 9 9.150 -0.570 -10.213 1.00 0.00 H new ATOM 924 N ALA B 10 7.880 -1.023 -7.702 1.00 0.00 N ATOM 925 CA ALA B 10 7.390 -2.032 -6.777 1.00 0.00 C ATOM 926 C ALA B 10 6.543 -1.458 -5.644 1.00 0.00 C ATOM 927 O ALA B 10 5.543 -2.073 -5.276 1.00 0.00 O ATOM 928 CB ALA B 10 8.574 -2.824 -6.212 1.00 0.00 C ATOM 0 H ALA B 10 8.893 -1.046 -7.818 1.00 0.00 H new ATOM 0 HA ALA B 10 6.730 -2.690 -7.342 1.00 0.00 H new ATOM 0 HB1 ALA B 10 8.208 -3.581 -5.518 1.00 0.00 H new ATOM 0 HB2 ALA B 10 9.110 -3.309 -7.028 1.00 0.00 H new ATOM 0 HB3 ALA B 10 9.248 -2.147 -5.687 1.00 0.00 H new ATOM 934 N GLU B 11 6.922 -0.297 -5.093 1.00 0.00 N ATOM 935 CA GLU B 11 6.170 0.299 -3.998 1.00 0.00 C ATOM 936 C GLU B 11 4.831 0.826 -4.495 1.00 0.00 C ATOM 937 O GLU B 11 3.801 0.584 -3.874 1.00 0.00 O ATOM 938 CB GLU B 11 6.966 1.408 -3.291 1.00 0.00 C ATOM 939 CG GLU B 11 6.615 1.386 -1.800 1.00 0.00 C ATOM 940 CD GLU B 11 7.397 2.406 -0.976 1.00 0.00 C ATOM 941 OE1 GLU B 11 8.644 2.372 -1.046 1.00 0.00 O ATOM 942 OE2 GLU B 11 6.731 3.178 -0.253 1.00 0.00 O ATOM 0 H GLU B 11 7.738 0.238 -5.389 1.00 0.00 H new ATOM 0 HA GLU B 11 5.986 -0.484 -3.262 1.00 0.00 H new ATOM 0 HB2 GLU B 11 8.036 1.253 -3.430 1.00 0.00 H new ATOM 0 HB3 GLU B 11 6.726 2.380 -3.722 1.00 0.00 H new ATOM 0 HG2 GLU B 11 5.548 1.577 -1.683 1.00 0.00 H new ATOM 0 HG3 GLU B 11 6.805 0.388 -1.405 1.00 0.00 H new ATOM 949 N LEU B 12 4.848 1.538 -5.626 1.00 0.00 N ATOM 950 CA LEU B 12 3.653 2.111 -6.216 1.00 0.00 C ATOM 951 C LEU B 12 2.675 1.001 -6.615 1.00 0.00 C ATOM 952 O LEU B 12 1.481 1.129 -6.356 1.00 0.00 O ATOM 953 CB LEU B 12 4.082 3.020 -7.383 1.00 0.00 C ATOM 954 CG LEU B 12 3.049 4.023 -7.928 1.00 0.00 C ATOM 955 CD1 LEU B 12 1.975 3.381 -8.809 1.00 0.00 C ATOM 956 CD2 LEU B 12 2.404 4.856 -6.816 1.00 0.00 C ATOM 0 H LEU B 12 5.700 1.729 -6.154 1.00 0.00 H new ATOM 0 HA LEU B 12 3.111 2.730 -5.501 1.00 0.00 H new ATOM 0 HB2 LEU B 12 4.960 3.583 -7.064 1.00 0.00 H new ATOM 0 HB3 LEU B 12 4.396 2.380 -8.208 1.00 0.00 H new ATOM 0 HG LEU B 12 3.623 4.693 -8.568 1.00 0.00 H new ATOM 0 HD11 LEU B 12 1.283 4.148 -9.156 1.00 0.00 H new ATOM 0 HD12 LEU B 12 2.447 2.902 -9.667 1.00 0.00 H new ATOM 0 HD13 LEU B 12 1.429 2.635 -8.232 1.00 0.00 H new ATOM 0 HD21 LEU B 12 1.683 5.548 -7.251 1.00 0.00 H new ATOM 0 HD22 LEU B 12 1.895 4.195 -6.115 1.00 0.00 H new ATOM 0 HD23 LEU B 12 3.175 5.419 -6.289 1.00 0.00 H new ATOM 968 N GLU B 13 3.175 -0.101 -7.199 1.00 0.00 N ATOM 969 CA GLU B 13 2.362 -1.236 -7.605 1.00 0.00 C ATOM 970 C GLU B 13 1.484 -1.775 -6.474 1.00 0.00 C ATOM 971 O GLU B 13 0.295 -1.997 -6.699 1.00 0.00 O ATOM 972 CB GLU B 13 3.257 -2.332 -8.184 1.00 0.00 C ATOM 973 CG GLU B 13 3.706 -1.973 -9.604 1.00 0.00 C ATOM 974 CD GLU B 13 4.646 -3.031 -10.174 1.00 0.00 C ATOM 975 OE1 GLU B 13 5.836 -3.000 -9.793 1.00 0.00 O ATOM 976 OE2 GLU B 13 4.158 -3.855 -10.977 1.00 0.00 O ATOM 0 H GLU B 13 4.168 -0.220 -7.400 1.00 0.00 H new ATOM 0 HA GLU B 13 1.674 -0.888 -8.376 1.00 0.00 H new ATOM 0 HB2 GLU B 13 4.130 -2.470 -7.546 1.00 0.00 H new ATOM 0 HB3 GLU B 13 2.718 -3.279 -8.197 1.00 0.00 H new ATOM 0 HG2 GLU B 13 2.833 -1.874 -10.249 1.00 0.00 H new ATOM 0 HG3 GLU B 13 4.207 -1.005 -9.595 1.00 0.00 H new ATOM 983 N VAL B 14 2.040 -1.978 -5.270 1.00 0.00 N ATOM 984 CA VAL B 14 1.264 -2.499 -4.154 1.00 0.00 C ATOM 985 C VAL B 14 0.276 -1.474 -3.621 1.00 0.00 C ATOM 986 O VAL B 14 -0.886 -1.817 -3.433 1.00 0.00 O ATOM 987 CB VAL B 14 2.143 -3.087 -3.038 1.00 0.00 C ATOM 988 CG1 VAL B 14 3.026 -4.184 -3.628 1.00 0.00 C ATOM 989 CG2 VAL B 14 3.007 -2.120 -2.220 1.00 0.00 C ATOM 0 H VAL B 14 3.018 -1.788 -5.053 1.00 0.00 H new ATOM 0 HA VAL B 14 0.682 -3.331 -4.551 1.00 0.00 H new ATOM 0 HB VAL B 14 1.424 -3.459 -2.308 1.00 0.00 H new ATOM 0 HG11 VAL B 14 3.653 -4.607 -2.844 1.00 0.00 H new ATOM 0 HG12 VAL B 14 2.398 -4.967 -4.053 1.00 0.00 H new ATOM 0 HG13 VAL B 14 3.658 -3.762 -4.409 1.00 0.00 H new ATOM 0 HG21 VAL B 14 3.570 -2.679 -1.472 1.00 0.00 H new ATOM 0 HG22 VAL B 14 3.700 -1.601 -2.883 1.00 0.00 H new ATOM 0 HG23 VAL B 14 2.367 -1.392 -1.722 1.00 0.00 H new ATOM 999 N MET B 15 0.727 -0.232 -3.402 1.00 0.00 N ATOM 1000 CA MET B 15 -0.073 0.865 -2.884 1.00 0.00 C ATOM 1001 C MET B 15 -1.430 0.992 -3.586 1.00 0.00 C ATOM 1002 O MET B 15 -2.429 1.281 -2.933 1.00 0.00 O ATOM 1003 CB MET B 15 0.734 2.149 -3.039 1.00 0.00 C ATOM 1004 CG MET B 15 1.991 2.198 -2.161 1.00 0.00 C ATOM 1005 SD MET B 15 1.711 2.843 -0.494 1.00 0.00 S ATOM 1006 CE MET B 15 3.273 3.728 -0.267 1.00 0.00 C ATOM 0 H MET B 15 1.693 0.037 -3.590 1.00 0.00 H new ATOM 0 HA MET B 15 -0.296 0.670 -1.835 1.00 0.00 H new ATOM 0 HB2 MET B 15 1.027 2.260 -4.083 1.00 0.00 H new ATOM 0 HB3 MET B 15 0.097 2.999 -2.794 1.00 0.00 H new ATOM 0 HG2 MET B 15 2.405 1.193 -2.084 1.00 0.00 H new ATOM 0 HG3 MET B 15 2.741 2.815 -2.655 1.00 0.00 H new ATOM 0 HE1 MET B 15 3.230 4.312 0.652 1.00 0.00 H new ATOM 0 HE2 MET B 15 4.091 3.011 -0.203 1.00 0.00 H new ATOM 0 HE3 MET B 15 3.440 4.394 -1.113 1.00 0.00 H new ATOM 1016 N LYS B 16 -1.464 0.772 -4.907 1.00 0.00 N ATOM 1017 CA LYS B 16 -2.682 0.821 -5.705 1.00 0.00 C ATOM 1018 C LYS B 16 -3.717 -0.203 -5.229 1.00 0.00 C ATOM 1019 O LYS B 16 -4.895 0.139 -5.150 1.00 0.00 O ATOM 1020 CB LYS B 16 -2.366 0.630 -7.193 1.00 0.00 C ATOM 1021 CG LYS B 16 -1.679 1.877 -7.764 1.00 0.00 C ATOM 1022 CD LYS B 16 -1.475 1.796 -9.282 1.00 0.00 C ATOM 1023 CE LYS B 16 -0.495 0.691 -9.688 1.00 0.00 C ATOM 1024 NZ LYS B 16 -0.220 0.726 -11.133 1.00 0.00 N ATOM 0 H LYS B 16 -0.631 0.552 -5.453 1.00 0.00 H new ATOM 0 HA LYS B 16 -3.120 1.810 -5.571 1.00 0.00 H new ATOM 0 HB2 LYS B 16 -1.722 -0.239 -7.325 1.00 0.00 H new ATOM 0 HB3 LYS B 16 -3.286 0.431 -7.743 1.00 0.00 H new ATOM 0 HG2 LYS B 16 -2.277 2.757 -7.528 1.00 0.00 H new ATOM 0 HG3 LYS B 16 -0.712 2.009 -7.278 1.00 0.00 H new ATOM 0 HD2 LYS B 16 -2.436 1.619 -9.765 1.00 0.00 H new ATOM 0 HD3 LYS B 16 -1.107 2.755 -9.647 1.00 0.00 H new ATOM 0 HE2 LYS B 16 0.437 0.807 -9.135 1.00 0.00 H new ATOM 0 HE3 LYS B 16 -0.907 -0.281 -9.417 1.00 0.00 H new ATOM 0 HZ1 LYS B 16 0.447 -0.034 -11.378 1.00 0.00 H new ATOM 0 HZ2 LYS B 16 -1.107 0.591 -11.659 1.00 0.00 H new ATOM 0 HZ3 LYS B 16 0.195 1.646 -11.385 1.00 0.00 H new ATOM 1038 N VAL B 17 -3.305 -1.442 -4.912 1.00 0.00 N ATOM 1039 CA VAL B 17 -4.219 -2.461 -4.413 1.00 0.00 C ATOM 1040 C VAL B 17 -4.765 -2.042 -3.045 1.00 0.00 C ATOM 1041 O VAL B 17 -5.932 -2.284 -2.745 1.00 0.00 O ATOM 1042 CB VAL B 17 -3.500 -3.823 -4.372 1.00 0.00 C ATOM 1043 CG1 VAL B 17 -4.114 -4.771 -3.341 1.00 0.00 C ATOM 1044 CG2 VAL B 17 -3.551 -4.487 -5.752 1.00 0.00 C ATOM 0 H VAL B 17 -2.338 -1.755 -4.996 1.00 0.00 H new ATOM 0 HA VAL B 17 -5.073 -2.564 -5.082 1.00 0.00 H new ATOM 0 HB VAL B 17 -2.467 -3.629 -4.082 1.00 0.00 H new ATOM 0 HG11 VAL B 17 -3.573 -5.717 -3.350 1.00 0.00 H new ATOM 0 HG12 VAL B 17 -4.046 -4.323 -2.349 1.00 0.00 H new ATOM 0 HG13 VAL B 17 -5.161 -4.949 -3.588 1.00 0.00 H new ATOM 0 HG21 VAL B 17 -3.040 -5.449 -5.712 1.00 0.00 H new ATOM 0 HG22 VAL B 17 -4.590 -4.640 -6.044 1.00 0.00 H new ATOM 0 HG23 VAL B 17 -3.059 -3.845 -6.483 1.00 0.00 H new ATOM 1054 N ILE B 18 -3.926 -1.411 -2.218 1.00 0.00 N ATOM 1055 CA ILE B 18 -4.311 -0.947 -0.895 1.00 0.00 C ATOM 1056 C ILE B 18 -5.323 0.189 -1.029 1.00 0.00 C ATOM 1057 O ILE B 18 -6.334 0.196 -0.330 1.00 0.00 O ATOM 1058 CB ILE B 18 -3.062 -0.528 -0.101 1.00 0.00 C ATOM 1059 CG1 ILE B 18 -1.990 -1.635 -0.220 1.00 0.00 C ATOM 1060 CG2 ILE B 18 -3.468 -0.146 1.333 1.00 0.00 C ATOM 1061 CD1 ILE B 18 -0.898 -1.566 0.841 1.00 0.00 C ATOM 0 H ILE B 18 -2.955 -1.210 -2.456 1.00 0.00 H new ATOM 0 HA ILE B 18 -4.790 -1.753 -0.338 1.00 0.00 H new ATOM 0 HB ILE B 18 -2.599 0.369 -0.512 1.00 0.00 H new ATOM 0 HG12 ILE B 18 -2.480 -2.607 -0.158 1.00 0.00 H new ATOM 0 HG13 ILE B 18 -1.528 -1.573 -1.205 1.00 0.00 H new ATOM 0 HG21 ILE B 18 -2.582 0.151 1.895 1.00 0.00 H new ATOM 0 HG22 ILE B 18 -4.174 0.684 1.302 1.00 0.00 H new ATOM 0 HG23 ILE B 18 -3.936 -1.002 1.819 1.00 0.00 H new ATOM 0 HD11 ILE B 18 -0.187 -2.378 0.685 1.00 0.00 H new ATOM 0 HD12 ILE B 18 -0.379 -0.610 0.767 1.00 0.00 H new ATOM 0 HD13 ILE B 18 -1.346 -1.661 1.830 1.00 0.00 H new ATOM 1073 N TRP B 19 -5.051 1.133 -1.940 1.00 0.00 N ATOM 1074 CA TRP B 19 -5.914 2.269 -2.216 1.00 0.00 C ATOM 1075 C TRP B 19 -7.198 1.845 -2.939 1.00 0.00 C ATOM 1076 O TRP B 19 -8.199 2.552 -2.838 1.00 0.00 O ATOM 1077 CB TRP B 19 -5.127 3.352 -2.970 1.00 0.00 C ATOM 1078 CG TRP B 19 -4.035 4.032 -2.188 1.00 0.00 C ATOM 1079 CD1 TRP B 19 -4.102 4.359 -0.876 1.00 0.00 C ATOM 1080 CD2 TRP B 19 -2.730 4.521 -2.640 1.00 0.00 C ATOM 1081 NE1 TRP B 19 -2.951 4.999 -0.483 1.00 0.00 N ATOM 1082 CE2 TRP B 19 -2.063 5.110 -1.525 1.00 0.00 C ATOM 1083 CE3 TRP B 19 -2.046 4.562 -3.877 1.00 0.00 C ATOM 1084 CZ2 TRP B 19 -0.787 5.680 -1.617 1.00 0.00 C ATOM 1085 CZ3 TRP B 19 -0.767 5.147 -3.985 1.00 0.00 C ATOM 1086 CH2 TRP B 19 -0.121 5.670 -2.848 1.00 0.00 C ATOM 0 H TRP B 19 -4.207 1.120 -2.512 1.00 0.00 H new ATOM 0 HA TRP B 19 -6.243 2.701 -1.271 1.00 0.00 H new ATOM 0 HB2 TRP B 19 -4.685 2.901 -3.858 1.00 0.00 H new ATOM 0 HB3 TRP B 19 -5.829 4.112 -3.314 1.00 0.00 H new ATOM 0 HD1 TRP B 19 -4.941 4.147 -0.230 1.00 0.00 H new ATOM 0 HE1 TRP B 19 -2.779 5.347 0.460 1.00 0.00 H new ATOM 0 HE3 TRP B 19 -2.511 4.138 -4.755 1.00 0.00 H new ATOM 0 HZ2 TRP B 19 -0.322 6.122 -0.748 1.00 0.00 H new ATOM 0 HZ3 TRP B 19 -0.279 5.194 -4.947 1.00 0.00 H new ATOM 0 HH2 TRP B 19 0.883 6.061 -2.926 1.00 0.00 H new ATOM 1097 N LYS B 20 -7.190 0.702 -3.646 1.00 0.00 N ATOM 1098 CA LYS B 20 -8.378 0.172 -4.308 1.00 0.00 C ATOM 1099 C LYS B 20 -9.387 -0.213 -3.221 1.00 0.00 C ATOM 1100 O LYS B 20 -10.556 0.160 -3.298 1.00 0.00 O ATOM 1101 CB LYS B 20 -8.003 -1.016 -5.207 1.00 0.00 C ATOM 1102 CG LYS B 20 -9.202 -1.687 -5.894 1.00 0.00 C ATOM 1103 CD LYS B 20 -9.949 -0.739 -6.843 1.00 0.00 C ATOM 1104 CE LYS B 20 -11.087 -1.454 -7.581 1.00 0.00 C ATOM 1105 NZ LYS B 20 -10.588 -2.481 -8.511 1.00 0.00 N ATOM 0 H LYS B 20 -6.358 0.126 -3.770 1.00 0.00 H new ATOM 0 HA LYS B 20 -8.829 0.919 -4.961 1.00 0.00 H new ATOM 0 HB2 LYS B 20 -7.305 -0.673 -5.971 1.00 0.00 H new ATOM 0 HB3 LYS B 20 -7.479 -1.760 -4.607 1.00 0.00 H new ATOM 0 HG2 LYS B 20 -8.855 -2.556 -6.454 1.00 0.00 H new ATOM 0 HG3 LYS B 20 -9.893 -2.052 -5.134 1.00 0.00 H new ATOM 0 HD2 LYS B 20 -10.354 0.099 -6.276 1.00 0.00 H new ATOM 0 HD3 LYS B 20 -9.249 -0.325 -7.568 1.00 0.00 H new ATOM 0 HE2 LYS B 20 -11.754 -1.918 -6.854 1.00 0.00 H new ATOM 0 HE3 LYS B 20 -11.676 -0.722 -8.133 1.00 0.00 H new ATOM 0 HZ1 LYS B 20 -11.366 -2.806 -9.119 1.00 0.00 H new ATOM 0 HZ2 LYS B 20 -9.833 -2.077 -9.101 1.00 0.00 H new ATOM 0 HZ3 LYS B 20 -10.212 -3.286 -7.970 1.00 0.00 H new ATOM 1119 N HIS B 21 -8.911 -0.939 -2.199 1.00 0.00 N ATOM 1120 CA HIS B 21 -9.681 -1.345 -1.031 1.00 0.00 C ATOM 1121 C HIS B 21 -9.828 -0.119 -0.108 1.00 0.00 C ATOM 1122 O HIS B 21 -9.105 0.860 -0.302 1.00 0.00 O ATOM 1123 CB HIS B 21 -8.959 -2.530 -0.359 1.00 0.00 C ATOM 1124 CG HIS B 21 -8.972 -3.806 -1.167 1.00 0.00 C ATOM 1125 ND1 HIS B 21 -8.430 -3.877 -2.451 1.00 0.00 N ATOM 1126 CD2 HIS B 21 -9.428 -5.049 -0.813 1.00 0.00 C ATOM 1127 CE1 HIS B 21 -8.579 -5.152 -2.816 1.00 0.00 C ATOM 1128 NE2 HIS B 21 -9.176 -5.895 -1.871 1.00 0.00 N ATOM 0 H HIS B 21 -7.946 -1.267 -2.169 1.00 0.00 H new ATOM 0 HA HIS B 21 -10.684 -1.685 -1.290 1.00 0.00 H new ATOM 0 HB2 HIS B 21 -7.924 -2.247 -0.165 1.00 0.00 H new ATOM 0 HB3 HIS B 21 -9.423 -2.722 0.608 1.00 0.00 H new ATOM 0 HD1 HIS B 21 -8.012 -3.120 -2.992 1.00 0.00 H new ATOM 0 HD2 HIS B 21 -9.898 -5.316 0.122 1.00 0.00 H new ATOM 0 HE1 HIS B 21 -8.254 -5.544 -3.769 1.00 0.00 H new ATOM 1136 N SER B 22 -10.760 -0.119 0.869 1.00 0.00 N ATOM 1137 CA SER B 22 -10.908 1.040 1.764 1.00 0.00 C ATOM 1138 C SER B 22 -9.578 1.186 2.504 1.00 0.00 C ATOM 1139 O SER B 22 -8.910 2.213 2.389 1.00 0.00 O ATOM 1140 CB SER B 22 -12.088 0.819 2.718 1.00 0.00 C ATOM 1141 OG SER B 22 -12.209 1.912 3.603 1.00 0.00 O ATOM 0 H SER B 22 -11.404 -0.888 1.053 1.00 0.00 H new ATOM 0 HA SER B 22 -11.128 1.957 1.218 1.00 0.00 H new ATOM 0 HB2 SER B 22 -13.009 0.700 2.148 1.00 0.00 H new ATOM 0 HB3 SER B 22 -11.941 -0.102 3.283 1.00 0.00 H new ATOM 0 HG SER B 22 -12.966 1.762 4.207 1.00 0.00 H new ATOM 1147 N SER B 23 -9.196 0.133 3.233 1.00 0.00 N ATOM 1148 CA SER B 23 -7.843 -0.055 3.725 1.00 0.00 C ATOM 1149 C SER B 23 -7.527 -1.492 3.284 1.00 0.00 C ATOM 1150 O SER B 23 -8.168 -1.959 2.349 1.00 0.00 O ATOM 1151 CB SER B 23 -7.833 0.153 5.237 1.00 0.00 C ATOM 1152 OG SER B 23 -8.140 1.496 5.546 1.00 0.00 O ATOM 0 H SER B 23 -9.833 -0.619 3.497 1.00 0.00 H new ATOM 0 HA SER B 23 -7.095 0.641 3.346 1.00 0.00 H new ATOM 0 HB2 SER B 23 -8.558 -0.511 5.708 1.00 0.00 H new ATOM 0 HB3 SER B 23 -6.854 -0.106 5.641 1.00 0.00 H new ATOM 0 HG SER B 23 -8.132 1.618 6.518 1.00 0.00 H new ATOM 1158 N ILE B 24 -6.623 -2.252 3.919 1.00 0.00 N ATOM 1159 CA ILE B 24 -6.441 -3.662 3.561 1.00 0.00 C ATOM 1160 C ILE B 24 -5.961 -4.528 4.737 1.00 0.00 C ATOM 1161 O ILE B 24 -5.293 -3.987 5.610 1.00 0.00 O ATOM 1162 CB ILE B 24 -5.749 -3.795 2.193 1.00 0.00 C ATOM 1163 CG1 ILE B 24 -6.108 -5.113 1.505 1.00 0.00 C ATOM 1164 CG2 ILE B 24 -4.245 -3.608 2.316 1.00 0.00 C ATOM 1165 CD1 ILE B 24 -5.788 -5.079 0.007 1.00 0.00 C ATOM 0 H ILE B 24 -6.017 -1.920 4.670 1.00 0.00 H new ATOM 0 HA ILE B 24 -7.406 -4.134 3.379 1.00 0.00 H new ATOM 0 HB ILE B 24 -6.123 -2.994 1.555 1.00 0.00 H new ATOM 0 HG12 ILE B 24 -5.560 -5.929 1.975 1.00 0.00 H new ATOM 0 HG13 ILE B 24 -7.169 -5.319 1.645 1.00 0.00 H new ATOM 0 HG21 ILE B 24 -3.784 -3.708 1.333 1.00 0.00 H new ATOM 0 HG22 ILE B 24 -4.033 -2.617 2.717 1.00 0.00 H new ATOM 0 HG23 ILE B 24 -3.838 -4.365 2.986 1.00 0.00 H new ATOM 0 HD11 ILE B 24 -6.058 -6.034 -0.444 1.00 0.00 H new ATOM 0 HD12 ILE B 24 -6.356 -4.279 -0.468 1.00 0.00 H new ATOM 0 HD13 ILE B 24 -4.722 -4.900 -0.133 1.00 0.00 H new ATOM 1177 N ASN B 25 -6.258 -5.838 4.795 1.00 0.00 N ATOM 1178 CA ASN B 25 -5.786 -6.764 5.807 1.00 0.00 C ATOM 1179 C ASN B 25 -4.827 -7.668 4.993 1.00 0.00 C ATOM 1180 O ASN B 25 -5.094 -7.886 3.811 1.00 0.00 O ATOM 1181 CB ASN B 25 -7.027 -7.459 6.415 1.00 0.00 C ATOM 1182 CG ASN B 25 -7.736 -8.381 5.424 1.00 0.00 C ATOM 1183 OD1 ASN B 25 -7.311 -9.513 5.212 1.00 0.00 O ATOM 1184 ND2 ASN B 25 -8.827 -7.898 4.823 1.00 0.00 N ATOM 0 H ASN B 25 -6.859 -6.286 4.104 1.00 0.00 H new ATOM 0 HA ASN B 25 -5.258 -6.355 6.668 1.00 0.00 H new ATOM 0 HB2 ASN B 25 -6.723 -8.037 7.288 1.00 0.00 H new ATOM 0 HB3 ASN B 25 -7.728 -6.700 6.764 1.00 0.00 H new ATOM 0 HD21 ASN B 25 -9.342 -8.476 4.159 1.00 0.00 H new ATOM 0 HD22 ASN B 25 -9.145 -6.951 5.029 1.00 0.00 H new ATOM 1191 N THR B 26 -3.708 -8.161 5.552 1.00 0.00 N ATOM 1192 CA THR B 26 -2.746 -9.000 4.819 1.00 0.00 C ATOM 1193 C THR B 26 -3.354 -10.086 3.925 1.00 0.00 C ATOM 1194 O THR B 26 -2.746 -10.385 2.901 1.00 0.00 O ATOM 1195 CB THR B 26 -1.641 -9.634 5.693 1.00 0.00 C ATOM 1196 OG1 THR B 26 -2.083 -9.927 6.996 1.00 0.00 O ATOM 1197 CG2 THR B 26 -0.362 -8.793 5.728 1.00 0.00 C ATOM 0 H THR B 26 -3.446 -7.989 6.523 1.00 0.00 H new ATOM 0 HA THR B 26 -2.291 -8.254 4.167 1.00 0.00 H new ATOM 0 HB THR B 26 -1.397 -10.580 5.210 1.00 0.00 H new ATOM 0 HG1 THR B 26 -1.349 -10.327 7.508 1.00 0.00 H new ATOM 0 HG21 THR B 26 0.380 -9.285 6.356 1.00 0.00 H new ATOM 0 HG22 THR B 26 0.031 -8.687 4.717 1.00 0.00 H new ATOM 0 HG23 THR B 26 -0.586 -7.807 6.136 1.00 0.00 H new ATOM 1205 N ASN B 27 -4.501 -10.701 4.260 1.00 0.00 N ATOM 1206 CA ASN B 27 -5.046 -11.709 3.349 1.00 0.00 C ATOM 1207 C ASN B 27 -5.434 -11.088 2.009 1.00 0.00 C ATOM 1208 O ASN B 27 -5.125 -11.660 0.968 1.00 0.00 O ATOM 1209 CB ASN B 27 -6.204 -12.495 3.973 1.00 0.00 C ATOM 1210 CG ASN B 27 -7.320 -12.860 2.986 1.00 0.00 C ATOM 1211 OD1 ASN B 27 -8.427 -12.333 3.082 1.00 0.00 O ATOM 1212 ND2 ASN B 27 -7.035 -13.755 2.036 1.00 0.00 N ATOM 0 H ASN B 27 -5.041 -10.529 5.108 1.00 0.00 H new ATOM 0 HA ASN B 27 -4.253 -12.433 3.160 1.00 0.00 H new ATOM 0 HB2 ASN B 27 -5.811 -13.411 4.414 1.00 0.00 H new ATOM 0 HB3 ASN B 27 -6.631 -11.907 4.786 1.00 0.00 H new ATOM 0 HD21 ASN B 27 -7.748 -14.023 1.358 1.00 0.00 H new ATOM 0 HD22 ASN B 27 -6.105 -14.170 1.989 1.00 0.00 H new ATOM 1219 N GLU B 28 -6.115 -9.938 2.025 1.00 0.00 N ATOM 1220 CA GLU B 28 -6.527 -9.269 0.811 1.00 0.00 C ATOM 1221 C GLU B 28 -5.308 -8.739 0.067 1.00 0.00 C ATOM 1222 O GLU B 28 -5.260 -8.840 -1.156 1.00 0.00 O ATOM 1223 CB GLU B 28 -7.521 -8.168 1.176 1.00 0.00 C ATOM 1224 CG GLU B 28 -8.857 -8.761 1.611 1.00 0.00 C ATOM 1225 CD GLU B 28 -9.619 -9.376 0.439 1.00 0.00 C ATOM 1226 OE1 GLU B 28 -10.066 -8.592 -0.427 1.00 0.00 O ATOM 1227 OE2 GLU B 28 -9.738 -10.621 0.427 1.00 0.00 O ATOM 0 H GLU B 28 -6.390 -9.456 2.881 1.00 0.00 H new ATOM 0 HA GLU B 28 -7.025 -9.964 0.135 1.00 0.00 H new ATOM 0 HB2 GLU B 28 -7.112 -7.555 1.979 1.00 0.00 H new ATOM 0 HB3 GLU B 28 -7.672 -7.511 0.320 1.00 0.00 H new ATOM 0 HG2 GLU B 28 -8.685 -9.523 2.371 1.00 0.00 H new ATOM 0 HG3 GLU B 28 -9.466 -7.983 2.071 1.00 0.00 H new ATOM 1234 N VAL B 29 -4.311 -8.213 0.793 1.00 0.00 N ATOM 1235 CA VAL B 29 -3.103 -7.697 0.173 1.00 0.00 C ATOM 1236 C VAL B 29 -2.372 -8.835 -0.539 1.00 0.00 C ATOM 1237 O VAL B 29 -2.211 -8.770 -1.753 1.00 0.00 O ATOM 1238 CB VAL B 29 -2.253 -6.893 1.188 1.00 0.00 C ATOM 1239 CG1 VAL B 29 -1.000 -7.595 1.716 1.00 0.00 C ATOM 1240 CG2 VAL B 29 -1.762 -5.587 0.562 1.00 0.00 C ATOM 0 H VAL B 29 -4.327 -8.138 1.810 1.00 0.00 H new ATOM 0 HA VAL B 29 -3.348 -6.969 -0.600 1.00 0.00 H new ATOM 0 HB VAL B 29 -2.939 -6.749 2.023 1.00 0.00 H new ATOM 0 HG11 VAL B 29 -0.484 -6.940 2.418 1.00 0.00 H new ATOM 0 HG12 VAL B 29 -1.286 -8.517 2.223 1.00 0.00 H new ATOM 0 HG13 VAL B 29 -0.336 -7.829 0.884 1.00 0.00 H new ATOM 0 HG21 VAL B 29 -1.167 -5.036 1.290 1.00 0.00 H new ATOM 0 HG22 VAL B 29 -1.151 -5.810 -0.312 1.00 0.00 H new ATOM 0 HG23 VAL B 29 -2.618 -4.983 0.262 1.00 0.00 H new ATOM 1250 N ILE B 30 -2.002 -9.900 0.186 1.00 0.00 N ATOM 1251 CA ILE B 30 -1.290 -11.043 -0.364 1.00 0.00 C ATOM 1252 C ILE B 30 -2.116 -11.675 -1.474 1.00 0.00 C ATOM 1253 O ILE B 30 -1.605 -11.831 -2.579 1.00 0.00 O ATOM 1254 CB ILE B 30 -0.867 -12.031 0.741 1.00 0.00 C ATOM 1255 CG1 ILE B 30 0.223 -11.357 1.594 1.00 0.00 C ATOM 1256 CG2 ILE B 30 -0.322 -13.339 0.145 1.00 0.00 C ATOM 1257 CD1 ILE B 30 0.575 -12.119 2.868 1.00 0.00 C ATOM 0 H ILE B 30 -2.195 -9.985 1.184 1.00 0.00 H new ATOM 0 HA ILE B 30 -0.355 -10.709 -0.814 1.00 0.00 H new ATOM 0 HB ILE B 30 -1.737 -12.282 1.348 1.00 0.00 H new ATOM 0 HG12 ILE B 30 1.124 -11.243 0.990 1.00 0.00 H new ATOM 0 HG13 ILE B 30 -0.109 -10.354 1.863 1.00 0.00 H new ATOM 0 HG21 ILE B 30 -0.033 -14.013 0.951 1.00 0.00 H new ATOM 0 HG22 ILE B 30 -1.093 -13.811 -0.464 1.00 0.00 H new ATOM 0 HG23 ILE B 30 0.547 -13.122 -0.476 1.00 0.00 H new ATOM 0 HD11 ILE B 30 1.350 -11.579 3.412 1.00 0.00 H new ATOM 0 HD12 ILE B 30 -0.312 -12.210 3.494 1.00 0.00 H new ATOM 0 HD13 ILE B 30 0.939 -13.113 2.609 1.00 0.00 H new ATOM 1269 N LYS B 31 -3.384 -11.999 -1.190 1.00 0.00 N ATOM 1270 CA LYS B 31 -4.309 -12.574 -2.165 1.00 0.00 C ATOM 1271 C LYS B 31 -4.267 -11.844 -3.520 1.00 0.00 C ATOM 1272 O LYS B 31 -4.272 -12.498 -4.561 1.00 0.00 O ATOM 1273 CB LYS B 31 -5.728 -12.575 -1.576 1.00 0.00 C ATOM 1274 CG LYS B 31 -6.796 -13.207 -2.482 1.00 0.00 C ATOM 1275 CD LYS B 31 -6.547 -14.701 -2.733 1.00 0.00 C ATOM 1276 CE LYS B 31 -7.668 -15.334 -3.566 1.00 0.00 C ATOM 1277 NZ LYS B 31 -8.952 -15.357 -2.844 1.00 0.00 N ATOM 0 H LYS B 31 -3.797 -11.867 -0.267 1.00 0.00 H new ATOM 0 HA LYS B 31 -3.997 -13.599 -2.366 1.00 0.00 H new ATOM 0 HB2 LYS B 31 -5.713 -13.110 -0.627 1.00 0.00 H new ATOM 0 HB3 LYS B 31 -6.017 -11.547 -1.358 1.00 0.00 H new ATOM 0 HG2 LYS B 31 -7.777 -13.077 -2.026 1.00 0.00 H new ATOM 0 HG3 LYS B 31 -6.816 -12.680 -3.436 1.00 0.00 H new ATOM 0 HD2 LYS B 31 -5.595 -14.829 -3.248 1.00 0.00 H new ATOM 0 HD3 LYS B 31 -6.466 -15.221 -1.779 1.00 0.00 H new ATOM 0 HE2 LYS B 31 -7.786 -14.778 -4.496 1.00 0.00 H new ATOM 0 HE3 LYS B 31 -7.387 -16.352 -3.837 1.00 0.00 H new ATOM 0 HZ1 LYS B 31 -9.630 -15.953 -3.360 1.00 0.00 H new ATOM 0 HZ2 LYS B 31 -8.807 -15.744 -1.890 1.00 0.00 H new ATOM 0 HZ3 LYS B 31 -9.327 -14.390 -2.772 1.00 0.00 H new ATOM 1291 N GLU B 32 -4.204 -10.503 -3.509 1.00 0.00 N ATOM 1292 CA GLU B 32 -4.162 -9.676 -4.711 1.00 0.00 C ATOM 1293 C GLU B 32 -2.765 -9.611 -5.334 1.00 0.00 C ATOM 1294 O GLU B 32 -2.605 -9.935 -6.509 1.00 0.00 O ATOM 1295 CB GLU B 32 -4.640 -8.248 -4.397 1.00 0.00 C ATOM 1296 CG GLU B 32 -6.138 -8.020 -4.626 1.00 0.00 C ATOM 1297 CD GLU B 32 -7.029 -8.846 -3.698 1.00 0.00 C ATOM 1298 OE1 GLU B 32 -7.201 -10.049 -3.991 1.00 0.00 O ATOM 1299 OE2 GLU B 32 -7.539 -8.259 -2.719 1.00 0.00 O ATOM 0 H GLU B 32 -4.181 -9.960 -2.646 1.00 0.00 H new ATOM 0 HA GLU B 32 -4.829 -10.146 -5.433 1.00 0.00 H new ATOM 0 HB2 GLU B 32 -4.404 -8.019 -3.358 1.00 0.00 H new ATOM 0 HB3 GLU B 32 -4.079 -7.546 -5.014 1.00 0.00 H new ATOM 0 HG2 GLU B 32 -6.362 -6.963 -4.486 1.00 0.00 H new ATOM 0 HG3 GLU B 32 -6.380 -8.263 -5.661 1.00 0.00 H new ATOM 1306 N LEU B 33 -1.764 -9.160 -4.568 1.00 0.00 N ATOM 1307 CA LEU B 33 -0.404 -8.969 -4.975 1.00 0.00 C ATOM 1308 C LEU B 33 0.200 -10.255 -5.548 1.00 0.00 C ATOM 1309 O LEU B 33 0.687 -10.240 -6.674 1.00 0.00 O ATOM 1310 CB LEU B 33 0.316 -8.490 -3.715 1.00 0.00 C ATOM 1311 CG LEU B 33 0.439 -6.972 -3.533 1.00 0.00 C ATOM 1312 CD1 LEU B 33 -0.895 -6.247 -3.380 1.00 0.00 C ATOM 1313 CD2 LEU B 33 1.242 -6.718 -2.258 1.00 0.00 C ATOM 0 H LEU B 33 -1.912 -8.909 -3.591 1.00 0.00 H new ATOM 0 HA LEU B 33 -0.312 -8.244 -5.783 1.00 0.00 H new ATOM 0 HB2 LEU B 33 -0.206 -8.896 -2.849 1.00 0.00 H new ATOM 0 HB3 LEU B 33 1.319 -8.916 -3.712 1.00 0.00 H new ATOM 0 HG LEU B 33 0.913 -6.587 -4.436 1.00 0.00 H new ATOM 0 HD11 LEU B 33 -0.717 -5.179 -3.256 1.00 0.00 H new ATOM 0 HD12 LEU B 33 -1.503 -6.413 -4.269 1.00 0.00 H new ATOM 0 HD13 LEU B 33 -1.420 -6.631 -2.505 1.00 0.00 H new ATOM 0 HD21 LEU B 33 1.346 -5.644 -2.102 1.00 0.00 H new ATOM 0 HD22 LEU B 33 0.723 -7.160 -1.407 1.00 0.00 H new ATOM 0 HD23 LEU B 33 2.230 -7.168 -2.354 1.00 0.00 H new ATOM 1325 N SER B 34 0.158 -11.363 -4.797 1.00 0.00 N ATOM 1326 CA SER B 34 0.702 -12.648 -5.229 1.00 0.00 C ATOM 1327 C SER B 34 0.074 -13.146 -6.536 1.00 0.00 C ATOM 1328 O SER B 34 0.736 -13.836 -7.309 1.00 0.00 O ATOM 1329 CB SER B 34 0.538 -13.697 -4.122 1.00 0.00 C ATOM 1330 OG SER B 34 -0.810 -14.096 -3.990 1.00 0.00 O ATOM 0 H SER B 34 -0.258 -11.389 -3.866 1.00 0.00 H new ATOM 0 HA SER B 34 1.763 -12.494 -5.426 1.00 0.00 H new ATOM 0 HB2 SER B 34 1.156 -14.566 -4.347 1.00 0.00 H new ATOM 0 HB3 SER B 34 0.893 -13.289 -3.176 1.00 0.00 H new ATOM 0 HG SER B 34 -1.307 -13.411 -3.496 1.00 0.00 H new ATOM 1336 N LYS B 35 -1.199 -12.803 -6.775 1.00 0.00 N ATOM 1337 CA LYS B 35 -1.933 -13.186 -7.972 1.00 0.00 C ATOM 1338 C LYS B 35 -1.316 -12.508 -9.197 1.00 0.00 C ATOM 1339 O LYS B 35 -1.017 -13.160 -10.196 1.00 0.00 O ATOM 1340 CB LYS B 35 -3.409 -12.776 -7.804 1.00 0.00 C ATOM 1341 CG LYS B 35 -4.402 -13.690 -8.534 1.00 0.00 C ATOM 1342 CD LYS B 35 -4.250 -13.656 -10.060 1.00 0.00 C ATOM 1343 CE LYS B 35 -5.441 -14.321 -10.760 1.00 0.00 C ATOM 1344 NZ LYS B 35 -5.550 -15.750 -10.423 1.00 0.00 N ATOM 0 H LYS B 35 -1.750 -12.242 -6.126 1.00 0.00 H new ATOM 0 HA LYS B 35 -1.877 -14.265 -8.117 1.00 0.00 H new ATOM 0 HB2 LYS B 35 -3.653 -12.767 -6.742 1.00 0.00 H new ATOM 0 HB3 LYS B 35 -3.535 -11.756 -8.168 1.00 0.00 H new ATOM 0 HG2 LYS B 35 -4.267 -14.714 -8.185 1.00 0.00 H new ATOM 0 HG3 LYS B 35 -5.418 -13.395 -8.270 1.00 0.00 H new ATOM 0 HD2 LYS B 35 -4.161 -12.622 -10.395 1.00 0.00 H new ATOM 0 HD3 LYS B 35 -3.329 -14.164 -10.346 1.00 0.00 H new ATOM 0 HE2 LYS B 35 -6.361 -13.810 -10.475 1.00 0.00 H new ATOM 0 HE3 LYS B 35 -5.336 -14.210 -11.839 1.00 0.00 H new ATOM 0 HZ1 LYS B 35 -6.368 -16.162 -10.917 1.00 0.00 H new ATOM 0 HZ2 LYS B 35 -4.683 -16.243 -10.718 1.00 0.00 H new ATOM 0 HZ3 LYS B 35 -5.676 -15.856 -9.396 1.00 0.00 H new ATOM 1358 N THR B 36 -1.104 -11.192 -9.089 1.00 0.00 N ATOM 1359 CA THR B 36 -0.587 -10.337 -10.142 1.00 0.00 C ATOM 1360 C THR B 36 0.930 -10.469 -10.321 1.00 0.00 C ATOM 1361 O THR B 36 1.386 -10.875 -11.389 1.00 0.00 O ATOM 1362 CB THR B 36 -1.031 -8.891 -9.863 1.00 0.00 C ATOM 1363 OG1 THR B 36 -0.553 -8.439 -8.610 1.00 0.00 O ATOM 1364 CG2 THR B 36 -2.562 -8.788 -9.870 1.00 0.00 C ATOM 0 H THR B 36 -1.298 -10.681 -8.228 1.00 0.00 H new ATOM 0 HA THR B 36 -1.004 -10.657 -11.097 1.00 0.00 H new ATOM 0 HB THR B 36 -0.612 -8.266 -10.652 1.00 0.00 H new ATOM 0 HG1 THR B 36 -0.849 -7.517 -8.460 1.00 0.00 H new ATOM 0 HG21 THR B 36 -2.858 -7.758 -9.671 1.00 0.00 H new ATOM 0 HG22 THR B 36 -2.943 -9.093 -10.845 1.00 0.00 H new ATOM 0 HG23 THR B 36 -2.974 -9.439 -9.099 1.00 0.00 H new ATOM 1372 N SER B 37 1.703 -10.137 -9.281 1.00 0.00 N ATOM 1373 CA SER B 37 3.162 -10.160 -9.276 1.00 0.00 C ATOM 1374 C SER B 37 3.715 -11.491 -8.765 1.00 0.00 C ATOM 1375 O SER B 37 3.001 -12.260 -8.124 1.00 0.00 O ATOM 1376 CB SER B 37 3.674 -9.008 -8.407 1.00 0.00 C ATOM 1377 OG SER B 37 3.290 -9.215 -7.066 1.00 0.00 O ATOM 0 H SER B 37 1.311 -9.834 -8.389 1.00 0.00 H new ATOM 0 HA SER B 37 3.509 -10.043 -10.303 1.00 0.00 H new ATOM 0 HB2 SER B 37 4.760 -8.941 -8.478 1.00 0.00 H new ATOM 0 HB3 SER B 37 3.272 -8.061 -8.768 1.00 0.00 H new ATOM 0 HG SER B 37 3.987 -8.871 -6.469 1.00 0.00 H new ATOM 1383 N THR B 38 4.997 -11.751 -9.061 1.00 0.00 N ATOM 1384 CA THR B 38 5.711 -12.954 -8.648 1.00 0.00 C ATOM 1385 C THR B 38 5.706 -13.043 -7.121 1.00 0.00 C ATOM 1386 O THR B 38 5.124 -13.981 -6.581 1.00 0.00 O ATOM 1387 CB THR B 38 7.136 -12.936 -9.225 1.00 0.00 C ATOM 1388 OG1 THR B 38 7.070 -12.829 -10.633 1.00 0.00 O ATOM 1389 CG2 THR B 38 7.906 -14.210 -8.862 1.00 0.00 C ATOM 0 H THR B 38 5.574 -11.111 -9.607 1.00 0.00 H new ATOM 0 HA THR B 38 5.215 -13.843 -9.036 1.00 0.00 H new ATOM 0 HB THR B 38 7.660 -12.081 -8.798 1.00 0.00 H new ATOM 0 HG1 THR B 38 7.977 -12.816 -11.003 1.00 0.00 H new ATOM 0 HG21 THR B 38 8.909 -14.162 -9.286 1.00 0.00 H new ATOM 0 HG22 THR B 38 7.975 -14.297 -7.778 1.00 0.00 H new ATOM 0 HG23 THR B 38 7.383 -15.078 -9.263 1.00 0.00 H new ATOM 1397 N TRP B 39 6.351 -12.059 -6.469 1.00 0.00 N ATOM 1398 CA TRP B 39 6.489 -11.829 -5.033 1.00 0.00 C ATOM 1399 C TRP B 39 5.714 -12.804 -4.140 1.00 0.00 C ATOM 1400 O TRP B 39 4.484 -12.776 -4.106 1.00 0.00 O ATOM 1401 CB TRP B 39 6.058 -10.387 -4.720 1.00 0.00 C ATOM 1402 CG TRP B 39 6.701 -9.285 -5.512 1.00 0.00 C ATOM 1403 CD1 TRP B 39 7.918 -9.323 -6.101 1.00 0.00 C ATOM 1404 CD2 TRP B 39 6.137 -7.986 -5.864 1.00 0.00 C ATOM 1405 NE1 TRP B 39 8.136 -8.163 -6.814 1.00 0.00 N ATOM 1406 CE2 TRP B 39 7.056 -7.310 -6.720 1.00 0.00 C ATOM 1407 CE3 TRP B 39 4.929 -7.318 -5.567 1.00 0.00 C ATOM 1408 CZ2 TRP B 39 6.779 -6.052 -7.275 1.00 0.00 C ATOM 1409 CZ3 TRP B 39 4.618 -6.082 -6.163 1.00 0.00 C ATOM 1410 CH2 TRP B 39 5.539 -5.449 -7.013 1.00 0.00 C ATOM 0 H TRP B 39 6.836 -11.334 -6.997 1.00 0.00 H new ATOM 0 HA TRP B 39 7.539 -12.001 -4.798 1.00 0.00 H new ATOM 0 HB2 TRP B 39 4.980 -10.319 -4.863 1.00 0.00 H new ATOM 0 HB3 TRP B 39 6.252 -10.200 -3.664 1.00 0.00 H new ATOM 0 HD1 TRP B 39 8.617 -10.143 -6.024 1.00 0.00 H new ATOM 0 HE1 TRP B 39 8.985 -7.962 -7.342 1.00 0.00 H new ATOM 0 HE3 TRP B 39 4.233 -7.763 -4.871 1.00 0.00 H new ATOM 0 HZ2 TRP B 39 7.510 -5.554 -7.895 1.00 0.00 H new ATOM 0 HZ3 TRP B 39 3.664 -5.617 -5.965 1.00 0.00 H new ATOM 0 HH2 TRP B 39 5.294 -4.499 -7.465 1.00 0.00 H new ATOM 1421 N SER B 40 6.446 -13.650 -3.405 1.00 0.00 N ATOM 1422 CA SER B 40 5.895 -14.626 -2.475 1.00 0.00 C ATOM 1423 C SER B 40 5.207 -13.913 -1.298 1.00 0.00 C ATOM 1424 O SER B 40 5.393 -12.707 -1.138 1.00 0.00 O ATOM 1425 CB SER B 40 7.054 -15.504 -1.983 1.00 0.00 C ATOM 1426 OG SER B 40 7.955 -14.738 -1.209 1.00 0.00 O ATOM 0 H SER B 40 7.465 -13.670 -3.447 1.00 0.00 H new ATOM 0 HA SER B 40 5.142 -15.242 -2.966 1.00 0.00 H new ATOM 0 HB2 SER B 40 6.666 -16.331 -1.389 1.00 0.00 H new ATOM 0 HB3 SER B 40 7.576 -15.941 -2.835 1.00 0.00 H new ATOM 0 HG SER B 40 8.689 -15.310 -0.900 1.00 0.00 H new ATOM 1432 N PRO B 41 4.417 -14.617 -0.466 1.00 0.00 N ATOM 1433 CA PRO B 41 3.763 -14.038 0.704 1.00 0.00 C ATOM 1434 C PRO B 41 4.743 -13.255 1.581 1.00 0.00 C ATOM 1435 O PRO B 41 4.395 -12.202 2.107 1.00 0.00 O ATOM 1436 CB PRO B 41 3.149 -15.223 1.453 1.00 0.00 C ATOM 1437 CG PRO B 41 2.814 -16.180 0.312 1.00 0.00 C ATOM 1438 CD PRO B 41 4.017 -16.009 -0.613 1.00 0.00 C ATOM 0 HA PRO B 41 3.005 -13.310 0.416 1.00 0.00 H new ATOM 0 HB2 PRO B 41 3.849 -15.664 2.163 1.00 0.00 H new ATOM 0 HB3 PRO B 41 2.262 -14.934 2.017 1.00 0.00 H new ATOM 0 HG2 PRO B 41 2.710 -17.208 0.659 1.00 0.00 H new ATOM 0 HG3 PRO B 41 1.879 -15.914 -0.182 1.00 0.00 H new ATOM 0 HD2 PRO B 41 4.827 -16.683 -0.334 1.00 0.00 H new ATOM 0 HD3 PRO B 41 3.755 -16.236 -1.646 1.00 0.00 H new ATOM 1446 N LYS B 42 5.975 -13.760 1.707 1.00 0.00 N ATOM 1447 CA LYS B 42 7.039 -13.133 2.469 1.00 0.00 C ATOM 1448 C LYS B 42 7.462 -11.818 1.817 1.00 0.00 C ATOM 1449 O LYS B 42 7.525 -10.790 2.490 1.00 0.00 O ATOM 1450 CB LYS B 42 8.235 -14.084 2.561 1.00 0.00 C ATOM 1451 CG LYS B 42 7.898 -15.464 3.148 1.00 0.00 C ATOM 1452 CD LYS B 42 7.148 -15.408 4.486 1.00 0.00 C ATOM 1453 CE LYS B 42 6.941 -16.824 5.032 1.00 0.00 C ATOM 1454 NZ LYS B 42 6.164 -16.813 6.283 1.00 0.00 N ATOM 0 H LYS B 42 6.258 -14.637 1.269 1.00 0.00 H new ATOM 0 HA LYS B 42 6.673 -12.916 3.473 1.00 0.00 H new ATOM 0 HB2 LYS B 42 8.656 -14.218 1.565 1.00 0.00 H new ATOM 0 HB3 LYS B 42 9.008 -13.620 3.174 1.00 0.00 H new ATOM 0 HG2 LYS B 42 7.294 -16.016 2.428 1.00 0.00 H new ATOM 0 HG3 LYS B 42 8.823 -16.025 3.285 1.00 0.00 H new ATOM 0 HD2 LYS B 42 7.712 -14.812 5.203 1.00 0.00 H new ATOM 0 HD3 LYS B 42 6.184 -14.917 4.351 1.00 0.00 H new ATOM 0 HE2 LYS B 42 6.425 -17.430 4.287 1.00 0.00 H new ATOM 0 HE3 LYS B 42 7.909 -17.292 5.208 1.00 0.00 H new ATOM 0 HZ1 LYS B 42 6.043 -17.788 6.625 1.00 0.00 H new ATOM 0 HZ2 LYS B 42 6.669 -16.255 7.001 1.00 0.00 H new ATOM 0 HZ3 LYS B 42 5.231 -16.389 6.108 1.00 0.00 H new ATOM 1468 N THR B 43 7.761 -11.864 0.509 1.00 0.00 N ATOM 1469 CA THR B 43 8.173 -10.723 -0.307 1.00 0.00 C ATOM 1470 C THR B 43 7.146 -9.586 -0.273 1.00 0.00 C ATOM 1471 O THR B 43 7.480 -8.436 -0.553 1.00 0.00 O ATOM 1472 CB THR B 43 8.426 -11.193 -1.746 1.00 0.00 C ATOM 1473 OG1 THR B 43 9.383 -12.230 -1.754 1.00 0.00 O ATOM 1474 CG2 THR B 43 8.916 -10.062 -2.651 1.00 0.00 C ATOM 0 H THR B 43 7.719 -12.732 -0.024 1.00 0.00 H new ATOM 0 HA THR B 43 9.095 -10.319 0.111 1.00 0.00 H new ATOM 0 HB THR B 43 7.472 -11.549 -2.135 1.00 0.00 H new ATOM 0 HG1 THR B 43 8.938 -13.087 -1.589 1.00 0.00 H new ATOM 0 HG21 THR B 43 9.080 -10.447 -3.658 1.00 0.00 H new ATOM 0 HG22 THR B 43 8.167 -9.271 -2.682 1.00 0.00 H new ATOM 0 HG23 THR B 43 9.851 -9.661 -2.259 1.00 0.00 H new ATOM 1482 N ILE B 44 5.894 -9.910 0.055 1.00 0.00 N ATOM 1483 CA ILE B 44 4.812 -8.954 0.162 1.00 0.00 C ATOM 1484 C ILE B 44 4.852 -8.305 1.548 1.00 0.00 C ATOM 1485 O ILE B 44 4.840 -7.081 1.652 1.00 0.00 O ATOM 1486 CB ILE B 44 3.496 -9.670 -0.176 1.00 0.00 C ATOM 1487 CG1 ILE B 44 3.502 -9.975 -1.689 1.00 0.00 C ATOM 1488 CG2 ILE B 44 2.310 -8.795 0.239 1.00 0.00 C ATOM 1489 CD1 ILE B 44 2.454 -11.003 -2.115 1.00 0.00 C ATOM 0 H ILE B 44 5.607 -10.868 0.256 1.00 0.00 H new ATOM 0 HA ILE B 44 4.909 -8.135 -0.551 1.00 0.00 H new ATOM 0 HB ILE B 44 3.400 -10.608 0.370 1.00 0.00 H new ATOM 0 HG12 ILE B 44 3.333 -9.048 -2.238 1.00 0.00 H new ATOM 0 HG13 ILE B 44 4.490 -10.338 -1.973 1.00 0.00 H new ATOM 0 HG21 ILE B 44 1.378 -9.307 -0.003 1.00 0.00 H new ATOM 0 HG22 ILE B 44 2.354 -8.608 1.312 1.00 0.00 H new ATOM 0 HG23 ILE B 44 2.353 -7.847 -0.297 1.00 0.00 H new ATOM 0 HD11 ILE B 44 2.519 -11.165 -3.191 1.00 0.00 H new ATOM 0 HD12 ILE B 44 2.635 -11.944 -1.595 1.00 0.00 H new ATOM 0 HD13 ILE B 44 1.460 -10.634 -1.863 1.00 0.00 H new ATOM 1501 N GLN B 45 4.935 -9.128 2.599 1.00 0.00 N ATOM 1502 CA GLN B 45 4.968 -8.706 3.994 1.00 0.00 C ATOM 1503 C GLN B 45 6.167 -7.810 4.331 1.00 0.00 C ATOM 1504 O GLN B 45 6.033 -6.918 5.166 1.00 0.00 O ATOM 1505 CB GLN B 45 4.912 -9.952 4.891 1.00 0.00 C ATOM 1506 CG GLN B 45 3.523 -10.607 4.787 1.00 0.00 C ATOM 1507 CD GLN B 45 3.438 -11.986 5.446 1.00 0.00 C ATOM 1508 OE1 GLN B 45 2.630 -12.200 6.346 1.00 0.00 O ATOM 1509 NE2 GLN B 45 4.250 -12.937 4.983 1.00 0.00 N ATOM 0 H GLN B 45 4.982 -10.141 2.492 1.00 0.00 H new ATOM 0 HA GLN B 45 4.094 -8.081 4.180 1.00 0.00 H new ATOM 0 HB2 GLN B 45 5.683 -10.662 4.591 1.00 0.00 H new ATOM 0 HB3 GLN B 45 5.118 -9.676 5.925 1.00 0.00 H new ATOM 0 HG2 GLN B 45 2.786 -9.949 5.247 1.00 0.00 H new ATOM 0 HG3 GLN B 45 3.254 -10.700 3.735 1.00 0.00 H new ATOM 0 HE21 GLN B 45 4.909 -12.725 4.234 1.00 0.00 H new ATOM 0 HE22 GLN B 45 4.212 -13.877 5.378 1.00 0.00 H new ATOM 1518 N THR B 46 7.326 -8.023 3.692 1.00 0.00 N ATOM 1519 CA THR B 46 8.526 -7.230 3.948 1.00 0.00 C ATOM 1520 C THR B 46 8.405 -5.786 3.479 1.00 0.00 C ATOM 1521 O THR B 46 8.885 -4.889 4.170 1.00 0.00 O ATOM 1522 CB THR B 46 9.762 -7.869 3.319 1.00 0.00 C ATOM 1523 OG1 THR B 46 10.907 -7.200 3.796 1.00 0.00 O ATOM 1524 CG2 THR B 46 9.745 -7.842 1.788 1.00 0.00 C ATOM 0 H THR B 46 7.453 -8.748 2.986 1.00 0.00 H new ATOM 0 HA THR B 46 8.637 -7.214 5.032 1.00 0.00 H new ATOM 0 HB THR B 46 9.771 -8.920 3.607 1.00 0.00 H new ATOM 0 HG1 THR B 46 11.709 -7.602 3.401 1.00 0.00 H new ATOM 0 HG21 THR B 46 10.651 -8.311 1.406 1.00 0.00 H new ATOM 0 HG22 THR B 46 8.873 -8.386 1.424 1.00 0.00 H new ATOM 0 HG23 THR B 46 9.698 -6.809 1.443 1.00 0.00 H new ATOM 1532 N MET B 47 7.810 -5.566 2.297 1.00 0.00 N ATOM 1533 CA MET B 47 7.616 -4.233 1.748 1.00 0.00 C ATOM 1534 C MET B 47 6.899 -3.414 2.808 1.00 0.00 C ATOM 1535 O MET B 47 7.423 -2.431 3.324 1.00 0.00 O ATOM 1536 CB MET B 47 6.755 -4.295 0.475 1.00 0.00 C ATOM 1537 CG MET B 47 7.456 -4.968 -0.705 1.00 0.00 C ATOM 1538 SD MET B 47 6.570 -4.719 -2.270 1.00 0.00 S ATOM 1539 CE MET B 47 7.618 -5.700 -3.366 1.00 0.00 C ATOM 0 H MET B 47 7.453 -6.313 1.702 1.00 0.00 H new ATOM 0 HA MET B 47 8.575 -3.787 1.484 1.00 0.00 H new ATOM 0 HB2 MET B 47 5.834 -4.834 0.695 1.00 0.00 H new ATOM 0 HB3 MET B 47 6.471 -3.282 0.189 1.00 0.00 H new ATOM 0 HG2 MET B 47 8.468 -4.573 -0.797 1.00 0.00 H new ATOM 0 HG3 MET B 47 7.548 -6.036 -0.508 1.00 0.00 H new ATOM 0 HE1 MET B 47 7.307 -5.548 -4.399 1.00 0.00 H new ATOM 0 HE2 MET B 47 8.656 -5.390 -3.250 1.00 0.00 H new ATOM 0 HE3 MET B 47 7.524 -6.755 -3.110 1.00 0.00 H new ATOM 1549 N LEU B 48 5.718 -3.919 3.159 1.00 0.00 N ATOM 1550 CA LEU B 48 4.790 -3.403 4.132 1.00 0.00 C ATOM 1551 C LEU B 48 5.480 -3.160 5.476 1.00 0.00 C ATOM 1552 O LEU B 48 5.228 -2.139 6.108 1.00 0.00 O ATOM 1553 CB LEU B 48 3.644 -4.414 4.211 1.00 0.00 C ATOM 1554 CG LEU B 48 2.883 -4.516 2.869 1.00 0.00 C ATOM 1555 CD1 LEU B 48 2.128 -5.835 2.689 1.00 0.00 C ATOM 1556 CD2 LEU B 48 1.882 -3.370 2.740 1.00 0.00 C ATOM 0 H LEU B 48 5.367 -4.773 2.726 1.00 0.00 H new ATOM 0 HA LEU B 48 4.397 -2.428 3.844 1.00 0.00 H new ATOM 0 HB2 LEU B 48 4.040 -5.393 4.481 1.00 0.00 H new ATOM 0 HB3 LEU B 48 2.953 -4.120 5.001 1.00 0.00 H new ATOM 0 HG LEU B 48 3.647 -4.463 2.094 1.00 0.00 H new ATOM 0 HD11 LEU B 48 1.619 -5.834 1.725 1.00 0.00 H new ATOM 0 HD12 LEU B 48 2.833 -6.666 2.726 1.00 0.00 H new ATOM 0 HD13 LEU B 48 1.394 -5.946 3.487 1.00 0.00 H new ATOM 0 HD21 LEU B 48 1.353 -3.454 1.791 1.00 0.00 H new ATOM 0 HD22 LEU B 48 1.166 -3.419 3.560 1.00 0.00 H new ATOM 0 HD23 LEU B 48 2.412 -2.418 2.777 1.00 0.00 H new ATOM 1568 N LEU B 49 6.370 -4.069 5.897 1.00 0.00 N ATOM 1569 CA LEU B 49 7.119 -3.942 7.140 1.00 0.00 C ATOM 1570 C LEU B 49 8.015 -2.701 7.104 1.00 0.00 C ATOM 1571 O LEU B 49 7.975 -1.902 8.039 1.00 0.00 O ATOM 1572 CB LEU B 49 7.903 -5.240 7.406 1.00 0.00 C ATOM 1573 CG LEU B 49 8.689 -5.344 8.728 1.00 0.00 C ATOM 1574 CD1 LEU B 49 10.079 -4.700 8.659 1.00 0.00 C ATOM 1575 CD2 LEU B 49 7.908 -4.812 9.935 1.00 0.00 C ATOM 0 H LEU B 49 6.587 -4.918 5.375 1.00 0.00 H new ATOM 0 HA LEU B 49 6.432 -3.800 7.974 1.00 0.00 H new ATOM 0 HB2 LEU B 49 7.199 -6.071 7.368 1.00 0.00 H new ATOM 0 HB3 LEU B 49 8.607 -5.381 6.585 1.00 0.00 H new ATOM 0 HG LEU B 49 8.834 -6.414 8.876 1.00 0.00 H new ATOM 0 HD11 LEU B 49 10.578 -4.808 9.622 1.00 0.00 H new ATOM 0 HD12 LEU B 49 10.670 -5.192 7.886 1.00 0.00 H new ATOM 0 HD13 LEU B 49 9.978 -3.641 8.420 1.00 0.00 H new ATOM 0 HD21 LEU B 49 8.515 -4.913 10.835 1.00 0.00 H new ATOM 0 HD22 LEU B 49 7.666 -3.761 9.777 1.00 0.00 H new ATOM 0 HD23 LEU B 49 6.987 -5.383 10.053 1.00 0.00 H new ATOM 1587 N ARG B 50 8.805 -2.516 6.035 1.00 0.00 N ATOM 1588 CA ARG B 50 9.698 -1.369 5.928 1.00 0.00 C ATOM 1589 C ARG B 50 8.927 -0.084 5.704 1.00 0.00 C ATOM 1590 O ARG B 50 9.308 0.940 6.263 1.00 0.00 O ATOM 1591 CB ARG B 50 10.817 -1.577 4.905 1.00 0.00 C ATOM 1592 CG ARG B 50 11.824 -2.560 5.498 1.00 0.00 C ATOM 1593 CD ARG B 50 12.689 -1.893 6.570 1.00 0.00 C ATOM 1594 NE ARG B 50 12.770 -2.708 7.787 1.00 0.00 N ATOM 1595 CZ ARG B 50 13.533 -3.805 7.925 1.00 0.00 C ATOM 1596 NH1 ARG B 50 14.283 -4.256 6.909 1.00 0.00 N ATOM 1597 NH2 ARG B 50 13.546 -4.460 9.094 1.00 0.00 N ATOM 0 H ARG B 50 8.838 -3.150 5.237 1.00 0.00 H new ATOM 0 HA ARG B 50 10.203 -1.272 6.889 1.00 0.00 H new ATOM 0 HB2 ARG B 50 10.411 -1.965 3.971 1.00 0.00 H new ATOM 0 HB3 ARG B 50 11.302 -0.629 4.673 1.00 0.00 H new ATOM 0 HG2 ARG B 50 11.295 -3.409 5.931 1.00 0.00 H new ATOM 0 HG3 ARG B 50 12.462 -2.953 4.706 1.00 0.00 H new ATOM 0 HD2 ARG B 50 13.692 -1.726 6.176 1.00 0.00 H new ATOM 0 HD3 ARG B 50 12.276 -0.914 6.814 1.00 0.00 H new ATOM 0 HE ARG B 50 12.206 -2.421 8.587 1.00 0.00 H new ATOM 0 HH11 ARG B 50 14.280 -3.765 6.015 1.00 0.00 H new ATOM 0 HH12 ARG B 50 14.857 -5.090 7.030 1.00 0.00 H new ATOM 0 HH21 ARG B 50 12.979 -4.125 9.873 1.00 0.00 H new ATOM 0 HH22 ARG B 50 14.123 -5.294 9.205 1.00 0.00 H new ATOM 1611 N LEU B 51 7.855 -0.118 4.905 1.00 0.00 N ATOM 1612 CA LEU B 51 6.971 0.981 4.714 1.00 0.00 C ATOM 1613 C LEU B 51 6.532 1.437 6.105 1.00 0.00 C ATOM 1614 O LEU B 51 6.694 2.604 6.431 1.00 0.00 O ATOM 1615 CB LEU B 51 5.845 0.452 3.811 1.00 0.00 C ATOM 1616 CG LEU B 51 6.096 0.800 2.341 1.00 0.00 C ATOM 1617 CD1 LEU B 51 7.288 0.088 1.709 1.00 0.00 C ATOM 1618 CD2 LEU B 51 4.848 0.594 1.466 1.00 0.00 C ATOM 0 H LEU B 51 7.592 -0.945 4.369 1.00 0.00 H new ATOM 0 HA LEU B 51 7.398 1.857 4.225 1.00 0.00 H new ATOM 0 HB2 LEU B 51 5.766 -0.629 3.922 1.00 0.00 H new ATOM 0 HB3 LEU B 51 4.892 0.876 4.129 1.00 0.00 H new ATOM 0 HG LEU B 51 6.345 1.861 2.371 1.00 0.00 H new ATOM 0 HD11 LEU B 51 7.387 0.397 0.668 1.00 0.00 H new ATOM 0 HD12 LEU B 51 8.197 0.347 2.252 1.00 0.00 H new ATOM 0 HD13 LEU B 51 7.134 -0.990 1.754 1.00 0.00 H new ATOM 0 HD21 LEU B 51 5.080 0.855 0.434 1.00 0.00 H new ATOM 0 HD22 LEU B 51 4.537 -0.450 1.515 1.00 0.00 H new ATOM 0 HD23 LEU B 51 4.041 1.230 1.828 1.00 0.00 H new ATOM 1630 N ILE B 52 6.089 0.518 6.968 1.00 0.00 N ATOM 1631 CA ILE B 52 5.694 0.848 8.327 1.00 0.00 C ATOM 1632 C ILE B 52 6.857 1.399 9.159 1.00 0.00 C ATOM 1633 O ILE B 52 6.649 2.335 9.931 1.00 0.00 O ATOM 1634 CB ILE B 52 4.975 -0.352 8.963 1.00 0.00 C ATOM 1635 CG1 ILE B 52 3.639 -0.515 8.222 1.00 0.00 C ATOM 1636 CG2 ILE B 52 4.723 -0.137 10.464 1.00 0.00 C ATOM 1637 CD1 ILE B 52 2.940 -1.833 8.503 1.00 0.00 C ATOM 0 H ILE B 52 5.997 -0.471 6.738 1.00 0.00 H new ATOM 0 HA ILE B 52 4.980 1.671 8.300 1.00 0.00 H new ATOM 0 HB ILE B 52 5.595 -1.244 8.875 1.00 0.00 H new ATOM 0 HG12 ILE B 52 2.976 0.304 8.502 1.00 0.00 H new ATOM 0 HG13 ILE B 52 3.816 -0.429 7.150 1.00 0.00 H new ATOM 0 HG21 ILE B 52 4.213 -1.008 10.876 1.00 0.00 H new ATOM 0 HG22 ILE B 52 5.675 0.002 10.977 1.00 0.00 H new ATOM 0 HG23 ILE B 52 4.102 0.748 10.606 1.00 0.00 H new ATOM 0 HD11 ILE B 52 2.005 -1.875 7.945 1.00 0.00 H new ATOM 0 HD12 ILE B 52 3.583 -2.658 8.196 1.00 0.00 H new ATOM 0 HD13 ILE B 52 2.730 -1.913 9.570 1.00 0.00 H new ATOM 1649 N LYS B 53 8.071 0.857 8.998 1.00 0.00 N ATOM 1650 CA LYS B 53 9.240 1.320 9.735 1.00 0.00 C ATOM 1651 C LYS B 53 9.597 2.765 9.365 1.00 0.00 C ATOM 1652 O LYS B 53 9.833 3.584 10.252 1.00 0.00 O ATOM 1653 CB LYS B 53 10.427 0.379 9.483 1.00 0.00 C ATOM 1654 CG LYS B 53 11.624 0.732 10.375 1.00 0.00 C ATOM 1655 CD LYS B 53 12.787 -0.235 10.125 1.00 0.00 C ATOM 1656 CE LYS B 53 14.027 0.137 10.946 1.00 0.00 C ATOM 1657 NZ LYS B 53 13.791 0.008 12.393 1.00 0.00 N ATOM 0 H LYS B 53 8.264 0.089 8.355 1.00 0.00 H new ATOM 0 HA LYS B 53 9.002 1.306 10.799 1.00 0.00 H new ATOM 0 HB2 LYS B 53 10.123 -0.651 9.671 1.00 0.00 H new ATOM 0 HB3 LYS B 53 10.723 0.437 8.436 1.00 0.00 H new ATOM 0 HG2 LYS B 53 11.945 1.754 10.175 1.00 0.00 H new ATOM 0 HG3 LYS B 53 11.328 0.690 11.423 1.00 0.00 H new ATOM 0 HD2 LYS B 53 12.476 -1.249 10.376 1.00 0.00 H new ATOM 0 HD3 LYS B 53 13.040 -0.232 9.065 1.00 0.00 H new ATOM 0 HE2 LYS B 53 14.859 -0.504 10.656 1.00 0.00 H new ATOM 0 HE3 LYS B 53 14.319 1.162 10.717 1.00 0.00 H new ATOM 0 HZ1 LYS B 53 14.677 0.187 12.907 1.00 0.00 H new ATOM 0 HZ2 LYS B 53 13.073 0.699 12.691 1.00 0.00 H new ATOM 0 HZ3 LYS B 53 13.455 -0.953 12.606 1.00 0.00 H new ATOM 1671 N LYS B 54 9.620 3.074 8.062 1.00 0.00 N ATOM 1672 CA LYS B 54 9.965 4.388 7.533 1.00 0.00 C ATOM 1673 C LYS B 54 8.775 5.356 7.498 1.00 0.00 C ATOM 1674 O LYS B 54 8.985 6.554 7.315 1.00 0.00 O ATOM 1675 CB LYS B 54 10.611 4.238 6.153 1.00 0.00 C ATOM 1676 CG LYS B 54 11.799 3.261 6.121 1.00 0.00 C ATOM 1677 CD LYS B 54 12.892 3.591 7.145 1.00 0.00 C ATOM 1678 CE LYS B 54 14.067 2.621 6.989 1.00 0.00 C ATOM 1679 NZ LYS B 54 15.112 2.883 7.993 1.00 0.00 N ATOM 0 H LYS B 54 9.393 2.397 7.334 1.00 0.00 H new ATOM 0 HA LYS B 54 10.685 4.837 8.217 1.00 0.00 H new ATOM 0 HB2 LYS B 54 9.855 3.898 5.444 1.00 0.00 H new ATOM 0 HB3 LYS B 54 10.950 5.217 5.813 1.00 0.00 H new ATOM 0 HG2 LYS B 54 11.433 2.251 6.305 1.00 0.00 H new ATOM 0 HG3 LYS B 54 12.235 3.265 5.122 1.00 0.00 H new ATOM 0 HD2 LYS B 54 13.235 4.616 7.005 1.00 0.00 H new ATOM 0 HD3 LYS B 54 12.487 3.525 8.155 1.00 0.00 H new ATOM 0 HE2 LYS B 54 13.711 1.596 7.090 1.00 0.00 H new ATOM 0 HE3 LYS B 54 14.489 2.715 5.988 1.00 0.00 H new ATOM 0 HZ1 LYS B 54 15.895 2.211 7.863 1.00 0.00 H new ATOM 0 HZ2 LYS B 54 15.467 3.854 7.879 1.00 0.00 H new ATOM 0 HZ3 LYS B 54 14.713 2.769 8.947 1.00 0.00 H new ATOM 1693 N GLY B 55 7.545 4.857 7.686 1.00 0.00 N ATOM 1694 CA GLY B 55 6.334 5.660 7.754 1.00 0.00 C ATOM 1695 C GLY B 55 5.378 5.652 6.556 1.00 0.00 C ATOM 1696 O GLY B 55 4.443 6.451 6.598 1.00 0.00 O ATOM 0 H GLY B 55 7.369 3.858 7.797 1.00 0.00 H new ATOM 0 HA2 GLY B 55 5.771 5.335 8.629 1.00 0.00 H new ATOM 0 HA3 GLY B 55 6.632 6.693 7.932 1.00 0.00 H new ATOM 1700 N ALA B 56 5.541 4.822 5.506 1.00 0.00 N ATOM 1701 CA ALA B 56 4.536 4.789 4.449 1.00 0.00 C ATOM 1702 C ALA B 56 3.147 4.424 5.007 1.00 0.00 C ATOM 1703 O ALA B 56 2.189 5.166 4.816 1.00 0.00 O ATOM 1704 CB ALA B 56 4.949 3.724 3.438 1.00 0.00 C ATOM 0 H ALA B 56 6.332 4.191 5.377 1.00 0.00 H new ATOM 0 HA ALA B 56 4.473 5.776 3.991 1.00 0.00 H new ATOM 0 HB1 ALA B 56 4.213 3.679 2.636 1.00 0.00 H new ATOM 0 HB2 ALA B 56 5.924 3.976 3.022 1.00 0.00 H new ATOM 0 HB3 ALA B 56 5.006 2.755 3.933 1.00 0.00 H new ATOM 1710 N LEU B 57 3.052 3.285 5.705 1.00 0.00 N ATOM 1711 CA LEU B 57 1.841 2.678 6.261 1.00 0.00 C ATOM 1712 C LEU B 57 1.917 2.527 7.788 1.00 0.00 C ATOM 1713 O LEU B 57 2.962 2.783 8.378 1.00 0.00 O ATOM 1714 CB LEU B 57 1.661 1.300 5.608 1.00 0.00 C ATOM 1715 CG LEU B 57 0.824 1.278 4.317 1.00 0.00 C ATOM 1716 CD1 LEU B 57 1.248 2.265 3.216 1.00 0.00 C ATOM 1717 CD2 LEU B 57 0.944 -0.141 3.760 1.00 0.00 C ATOM 0 H LEU B 57 3.880 2.725 5.909 1.00 0.00 H new ATOM 0 HA LEU B 57 0.992 3.328 6.050 1.00 0.00 H new ATOM 0 HB2 LEU B 57 2.647 0.891 5.387 1.00 0.00 H new ATOM 0 HB3 LEU B 57 1.195 0.633 6.333 1.00 0.00 H new ATOM 0 HG LEU B 57 -0.186 1.584 4.588 1.00 0.00 H new ATOM 0 HD11 LEU B 57 0.586 2.158 2.357 1.00 0.00 H new ATOM 0 HD12 LEU B 57 1.185 3.284 3.597 1.00 0.00 H new ATOM 0 HD13 LEU B 57 2.273 2.053 2.913 1.00 0.00 H new ATOM 0 HD21 LEU B 57 0.368 -0.220 2.838 1.00 0.00 H new ATOM 0 HD22 LEU B 57 1.991 -0.364 3.554 1.00 0.00 H new ATOM 0 HD23 LEU B 57 0.559 -0.852 4.491 1.00 0.00 H new ATOM 1729 N ASN B 58 0.779 2.230 8.441 1.00 0.00 N ATOM 1730 CA ASN B 58 0.694 1.948 9.878 1.00 0.00 C ATOM 1731 C ASN B 58 -0.307 0.809 10.131 1.00 0.00 C ATOM 1732 O ASN B 58 -1.446 0.922 9.678 1.00 0.00 O ATOM 1733 CB ASN B 58 0.279 3.208 10.651 1.00 0.00 C ATOM 1734 CG ASN B 58 1.379 4.269 10.683 1.00 0.00 C ATOM 1735 OD1 ASN B 58 2.516 3.980 11.052 1.00 0.00 O ATOM 1736 ND2 ASN B 58 1.041 5.506 10.313 1.00 0.00 N ATOM 0 H ASN B 58 -0.125 2.179 7.970 1.00 0.00 H new ATOM 0 HA ASN B 58 1.677 1.638 10.233 1.00 0.00 H new ATOM 0 HB2 ASN B 58 -0.615 3.631 10.194 1.00 0.00 H new ATOM 0 HB3 ASN B 58 0.016 2.933 11.672 1.00 0.00 H new ATOM 0 HD21 ASN B 58 1.737 6.252 10.330 1.00 0.00 H new ATOM 0 HD22 ASN B 58 0.087 5.706 10.013 1.00 0.00 H new ATOM 1743 N HIS B 59 0.076 -0.262 10.859 1.00 0.00 N ATOM 1744 CA HIS B 59 -0.826 -1.373 11.154 1.00 0.00 C ATOM 1745 C HIS B 59 -1.534 -1.237 12.497 1.00 0.00 C ATOM 1746 O HIS B 59 -0.969 -0.708 13.454 1.00 0.00 O ATOM 1747 CB HIS B 59 -0.077 -2.710 11.119 1.00 0.00 C ATOM 1748 CG HIS B 59 1.262 -2.833 11.798 1.00 0.00 C ATOM 1749 ND1 HIS B 59 1.535 -2.271 13.044 1.00 0.00 N ATOM 1750 CD2 HIS B 59 2.356 -3.544 11.377 1.00 0.00 C ATOM 1751 CE1 HIS B 59 2.791 -2.641 13.311 1.00 0.00 C ATOM 1752 NE2 HIS B 59 3.331 -3.395 12.339 1.00 0.00 N ATOM 0 H HIS B 59 1.011 -0.371 11.251 1.00 0.00 H new ATOM 0 HA HIS B 59 -1.588 -1.346 10.375 1.00 0.00 H new ATOM 0 HB2 HIS B 59 -0.734 -3.463 11.555 1.00 0.00 H new ATOM 0 HB3 HIS B 59 0.063 -2.978 10.072 1.00 0.00 H new ATOM 0 HD1 HIS B 59 0.915 -1.704 13.622 1.00 0.00 H new ATOM 0 HD2 HIS B 59 2.438 -4.114 10.463 1.00 0.00 H new ATOM 0 HE1 HIS B 59 3.316 -2.363 14.213 1.00 0.00 H new ATOM 1760 N HIS B 60 -2.788 -1.711 12.542 1.00 0.00 N ATOM 1761 CA HIS B 60 -3.583 -1.742 13.765 1.00 0.00 C ATOM 1762 C HIS B 60 -4.500 -2.963 13.757 1.00 0.00 C ATOM 1763 O HIS B 60 -5.206 -3.173 12.774 1.00 0.00 O ATOM 1764 CB HIS B 60 -4.333 -0.421 13.994 1.00 0.00 C ATOM 1765 CG HIS B 60 -5.556 -0.212 13.137 1.00 0.00 C ATOM 1766 ND1 HIS B 60 -5.472 0.288 11.838 1.00 0.00 N ATOM 1767 CD2 HIS B 60 -6.872 -0.438 13.443 1.00 0.00 C ATOM 1768 CE1 HIS B 60 -6.739 0.341 11.416 1.00 0.00 C ATOM 1769 NE2 HIS B 60 -7.615 -0.086 12.337 1.00 0.00 N ATOM 0 H HIS B 60 -3.275 -2.083 11.726 1.00 0.00 H new ATOM 0 HA HIS B 60 -2.914 -1.842 14.620 1.00 0.00 H new ATOM 0 HB2 HIS B 60 -4.631 -0.370 15.041 1.00 0.00 H new ATOM 0 HB3 HIS B 60 -3.642 0.404 13.818 1.00 0.00 H new ATOM 0 HD2 HIS B 60 -7.256 -0.821 14.377 1.00 0.00 H new ATOM 0 HE1 HIS B 60 -7.027 0.691 10.436 1.00 0.00 H new ATOM 0 HE2 HIS B 60 -8.629 -0.140 12.239 1.00 0.00 H new ATOM 1777 N LYS B 61 -4.553 -3.711 14.872 1.00 0.00 N ATOM 1778 CA LYS B 61 -5.364 -4.916 14.983 1.00 0.00 C ATOM 1779 C LYS B 61 -6.782 -4.476 15.327 1.00 0.00 C ATOM 1780 O LYS B 61 -7.107 -4.179 16.476 1.00 0.00 O ATOM 1781 CB LYS B 61 -4.766 -5.876 16.018 1.00 0.00 C ATOM 1782 CG LYS B 61 -5.601 -7.164 16.097 1.00 0.00 C ATOM 1783 CD LYS B 61 -4.792 -8.356 16.624 1.00 0.00 C ATOM 1784 CE LYS B 61 -3.888 -8.940 15.531 1.00 0.00 C ATOM 1785 NZ LYS B 61 -3.123 -10.095 16.024 1.00 0.00 N ATOM 0 H LYS B 61 -4.030 -3.489 15.719 1.00 0.00 H new ATOM 0 HA LYS B 61 -5.383 -5.472 14.046 1.00 0.00 H new ATOM 0 HB2 LYS B 61 -3.738 -6.117 15.749 1.00 0.00 H new ATOM 0 HB3 LYS B 61 -4.735 -5.394 16.995 1.00 0.00 H new ATOM 0 HG2 LYS B 61 -6.461 -6.997 16.746 1.00 0.00 H new ATOM 0 HG3 LYS B 61 -5.990 -7.402 15.107 1.00 0.00 H new ATOM 0 HD2 LYS B 61 -4.184 -8.040 17.472 1.00 0.00 H new ATOM 0 HD3 LYS B 61 -5.471 -9.127 16.988 1.00 0.00 H new ATOM 0 HE2 LYS B 61 -4.496 -9.242 14.678 1.00 0.00 H new ATOM 0 HE3 LYS B 61 -3.201 -8.172 15.177 1.00 0.00 H new ATOM 0 HZ1 LYS B 61 -2.522 -10.465 15.260 1.00 0.00 H new ATOM 0 HZ2 LYS B 61 -2.525 -9.800 16.822 1.00 0.00 H new ATOM 0 HZ3 LYS B 61 -3.780 -10.837 16.339 1.00 0.00 H new ATOM 1799 N GLU B 62 -7.605 -4.432 14.273 1.00 0.00 N ATOM 1800 CA GLU B 62 -8.978 -3.964 14.288 1.00 0.00 C ATOM 1801 C GLU B 62 -9.958 -5.076 14.663 1.00 0.00 C ATOM 1802 O GLU B 62 -10.597 -5.669 13.795 1.00 0.00 O ATOM 1803 CB GLU B 62 -9.292 -3.358 12.912 1.00 0.00 C ATOM 1804 CG GLU B 62 -10.560 -2.509 12.926 1.00 0.00 C ATOM 1805 CD GLU B 62 -10.851 -1.923 11.547 1.00 0.00 C ATOM 1806 OE1 GLU B 62 -10.275 -0.855 11.247 1.00 0.00 O ATOM 1807 OE2 GLU B 62 -11.642 -2.556 10.814 1.00 0.00 O ATOM 0 H GLU B 62 -7.309 -4.739 13.346 1.00 0.00 H new ATOM 0 HA GLU B 62 -9.096 -3.201 15.057 1.00 0.00 H new ATOM 0 HB2 GLU B 62 -8.451 -2.745 12.588 1.00 0.00 H new ATOM 0 HB3 GLU B 62 -9.403 -4.160 12.182 1.00 0.00 H new ATOM 0 HG2 GLU B 62 -11.404 -3.118 13.250 1.00 0.00 H new ATOM 0 HG3 GLU B 62 -10.452 -1.702 13.651 1.00 0.00 H new ATOM 1814 N GLY B 63 -10.081 -5.338 15.970 1.00 0.00 N ATOM 1815 CA GLY B 63 -10.991 -6.325 16.529 1.00 0.00 C ATOM 1816 C GLY B 63 -10.667 -7.747 16.079 1.00 0.00 C ATOM 1817 O GLY B 63 -9.986 -8.477 16.797 1.00 0.00 O ATOM 0 H GLY B 63 -9.533 -4.853 16.680 1.00 0.00 H new ATOM 0 HA2 GLY B 63 -10.951 -6.275 17.617 1.00 0.00 H new ATOM 0 HA3 GLY B 63 -12.012 -6.079 16.236 1.00 0.00 H new ATOM 1821 N ARG B 64 -11.176 -8.136 14.901 1.00 0.00 N ATOM 1822 CA ARG B 64 -10.976 -9.459 14.331 1.00 0.00 C ATOM 1823 C ARG B 64 -9.496 -9.661 13.997 1.00 0.00 C ATOM 1824 O ARG B 64 -8.796 -10.327 14.759 1.00 0.00 O ATOM 1825 CB ARG B 64 -11.926 -9.673 13.145 1.00 0.00 C ATOM 1826 CG ARG B 64 -11.767 -11.081 12.560 1.00 0.00 C ATOM 1827 CD ARG B 64 -12.966 -11.472 11.700 1.00 0.00 C ATOM 1828 NE ARG B 64 -12.740 -12.778 11.068 1.00 0.00 N ATOM 1829 CZ ARG B 64 -13.581 -13.370 10.204 1.00 0.00 C ATOM 1830 NH1 ARG B 64 -14.767 -12.818 9.905 1.00 0.00 N ATOM 1831 NH2 ARG B 64 -13.227 -14.527 9.631 1.00 0.00 N ATOM 0 H ARG B 64 -11.745 -7.525 14.316 1.00 0.00 H new ATOM 0 HA ARG B 64 -11.231 -10.232 15.056 1.00 0.00 H new ATOM 0 HB2 ARG B 64 -12.956 -9.524 13.468 1.00 0.00 H new ATOM 0 HB3 ARG B 64 -11.723 -8.930 12.374 1.00 0.00 H new ATOM 0 HG2 ARG B 64 -10.858 -11.126 11.960 1.00 0.00 H new ATOM 0 HG3 ARG B 64 -11.650 -11.801 13.370 1.00 0.00 H new ATOM 0 HD2 ARG B 64 -13.865 -11.509 12.315 1.00 0.00 H new ATOM 0 HD3 ARG B 64 -13.134 -10.715 10.934 1.00 0.00 H new ATOM 0 HE ARG B 64 -11.880 -13.273 11.303 1.00 0.00 H new ATOM 0 HH11 ARG B 64 -15.042 -11.935 10.336 1.00 0.00 H new ATOM 0 HH12 ARG B 64 -15.394 -13.281 9.247 1.00 0.00 H new ATOM 0 HH21 ARG B 64 -12.326 -14.951 9.852 1.00 0.00 H new ATOM 0 HH22 ARG B 64 -13.858 -14.985 8.974 1.00 0.00 H new ATOM 1845 N VAL B 65 -9.011 -9.099 12.881 1.00 0.00 N ATOM 1846 CA VAL B 65 -7.662 -9.146 12.422 1.00 0.00 C ATOM 1847 C VAL B 65 -7.359 -7.698 11.999 1.00 0.00 C ATOM 1848 O VAL B 65 -8.238 -6.833 12.015 1.00 0.00 O ATOM 1849 CB VAL B 65 -7.542 -10.244 11.355 1.00 0.00 C ATOM 1850 CG1 VAL B 65 -7.799 -11.640 11.939 1.00 0.00 C ATOM 1851 CG2 VAL B 65 -8.447 -9.992 10.130 1.00 0.00 C ATOM 0 H VAL B 65 -9.612 -8.569 12.249 1.00 0.00 H new ATOM 0 HA VAL B 65 -6.906 -9.438 13.151 1.00 0.00 H new ATOM 0 HB VAL B 65 -6.510 -10.205 11.006 1.00 0.00 H new ATOM 0 HG11 VAL B 65 -7.704 -12.387 11.151 1.00 0.00 H new ATOM 0 HG12 VAL B 65 -7.071 -11.846 12.724 1.00 0.00 H new ATOM 0 HG13 VAL B 65 -8.805 -11.680 12.358 1.00 0.00 H new ATOM 0 HG21 VAL B 65 -8.319 -10.801 9.411 1.00 0.00 H new ATOM 0 HG22 VAL B 65 -9.488 -9.952 10.449 1.00 0.00 H new ATOM 0 HG23 VAL B 65 -8.173 -9.045 9.664 1.00 0.00 H new ATOM 1861 N PHE B 66 -6.114 -7.419 11.634 1.00 0.00 N ATOM 1862 CA PHE B 66 -5.602 -6.088 11.355 1.00 0.00 C ATOM 1863 C PHE B 66 -5.879 -5.476 10.004 1.00 0.00 C ATOM 1864 O PHE B 66 -6.151 -6.149 9.014 1.00 0.00 O ATOM 1865 CB PHE B 66 -4.106 -5.995 11.594 1.00 0.00 C ATOM 1866 CG PHE B 66 -3.283 -5.779 10.330 1.00 0.00 C ATOM 1867 CD1 PHE B 66 -3.232 -6.726 9.292 1.00 0.00 C ATOM 1868 CD2 PHE B 66 -2.694 -4.531 10.090 1.00 0.00 C ATOM 1869 CE1 PHE B 66 -2.155 -6.699 8.409 1.00 0.00 C ATOM 1870 CE2 PHE B 66 -1.783 -4.406 9.037 1.00 0.00 C ATOM 1871 CZ PHE B 66 -1.341 -5.567 8.390 1.00 0.00 C ATOM 0 H PHE B 66 -5.407 -8.145 11.520 1.00 0.00 H new ATOM 0 HA PHE B 66 -6.187 -5.504 12.065 1.00 0.00 H new ATOM 0 HB2 PHE B 66 -3.910 -5.176 12.286 1.00 0.00 H new ATOM 0 HB3 PHE B 66 -3.770 -6.910 12.081 1.00 0.00 H new ATOM 0 HD1 PHE B 66 -4.015 -7.462 9.181 1.00 0.00 H new ATOM 0 HD2 PHE B 66 -2.939 -3.680 10.708 1.00 0.00 H new ATOM 0 HE1 PHE B 66 -1.955 -7.535 7.755 1.00 0.00 H new ATOM 0 HE2 PHE B 66 -1.427 -3.434 8.729 1.00 0.00 H new ATOM 0 HZ PHE B 66 -0.386 -5.585 7.885 1.00 0.00 H new ATOM 1881 N VAL B 67 -5.868 -4.145 10.053 1.00 0.00 N ATOM 1882 CA VAL B 67 -5.990 -3.289 8.913 1.00 0.00 C ATOM 1883 C VAL B 67 -4.742 -2.411 8.790 1.00 0.00 C ATOM 1884 O VAL B 67 -4.342 -1.740 9.741 1.00 0.00 O ATOM 1885 CB VAL B 67 -7.264 -2.465 9.087 1.00 0.00 C ATOM 1886 CG1 VAL B 67 -7.458 -1.485 7.934 1.00 0.00 C ATOM 1887 CG2 VAL B 67 -8.433 -3.443 9.140 1.00 0.00 C ATOM 0 H VAL B 67 -5.769 -3.631 10.928 1.00 0.00 H new ATOM 0 HA VAL B 67 -6.064 -3.862 7.989 1.00 0.00 H new ATOM 0 HB VAL B 67 -7.199 -1.875 10.001 1.00 0.00 H new ATOM 0 HG11 VAL B 67 -8.374 -0.915 8.091 1.00 0.00 H new ATOM 0 HG12 VAL B 67 -6.609 -0.802 7.890 1.00 0.00 H new ATOM 0 HG13 VAL B 67 -7.529 -2.036 6.996 1.00 0.00 H new ATOM 0 HG21 VAL B 67 -9.364 -2.890 9.264 1.00 0.00 H new ATOM 0 HG22 VAL B 67 -8.471 -4.015 8.213 1.00 0.00 H new ATOM 0 HG23 VAL B 67 -8.300 -4.124 9.981 1.00 0.00 H new ATOM 1897 N TYR B 68 -4.246 -2.326 7.554 1.00 0.00 N ATOM 1898 CA TYR B 68 -3.105 -1.504 7.153 1.00 0.00 C ATOM 1899 C TYR B 68 -3.710 -0.194 6.652 1.00 0.00 C ATOM 1900 O TYR B 68 -4.593 -0.208 5.794 1.00 0.00 O ATOM 1901 CB TYR B 68 -2.457 -2.059 5.868 1.00 0.00 C ATOM 1902 CG TYR B 68 -1.491 -3.209 5.968 1.00 0.00 C ATOM 1903 CD1 TYR B 68 -0.200 -2.962 6.463 1.00 0.00 C ATOM 1904 CD2 TYR B 68 -1.757 -4.405 5.278 1.00 0.00 C ATOM 1905 CE1 TYR B 68 0.787 -3.955 6.374 1.00 0.00 C ATOM 1906 CE2 TYR B 68 -0.745 -5.362 5.117 1.00 0.00 C ATOM 1907 CZ TYR B 68 0.523 -5.151 5.689 1.00 0.00 C ATOM 1908 OH TYR B 68 1.453 -6.151 5.711 1.00 0.00 O ATOM 0 H TYR B 68 -4.645 -2.849 6.775 1.00 0.00 H new ATOM 0 HA TYR B 68 -2.399 -1.444 7.981 1.00 0.00 H new ATOM 0 HB2 TYR B 68 -3.263 -2.365 5.201 1.00 0.00 H new ATOM 0 HB3 TYR B 68 -1.936 -1.235 5.381 1.00 0.00 H new ATOM 0 HD1 TYR B 68 0.033 -2.008 6.912 1.00 0.00 H new ATOM 0 HD2 TYR B 68 -2.741 -4.587 4.872 1.00 0.00 H new ATOM 0 HE1 TYR B 68 1.752 -3.799 6.834 1.00 0.00 H new ATOM 0 HE2 TYR B 68 -0.939 -6.262 4.553 1.00 0.00 H new ATOM 0 HH TYR B 68 1.284 -6.738 6.477 1.00 0.00 H new ATOM 1918 N THR B 69 -3.229 0.930 7.201 1.00 0.00 N ATOM 1919 CA THR B 69 -3.714 2.260 6.868 1.00 0.00 C ATOM 1920 C THR B 69 -2.643 3.106 6.168 1.00 0.00 C ATOM 1921 O THR B 69 -1.612 3.399 6.772 1.00 0.00 O ATOM 1922 CB THR B 69 -4.235 2.979 8.110 1.00 0.00 C ATOM 1923 OG1 THR B 69 -3.212 3.208 9.058 1.00 0.00 O ATOM 1924 CG2 THR B 69 -5.380 2.208 8.774 1.00 0.00 C ATOM 0 H THR B 69 -2.483 0.932 7.897 1.00 0.00 H new ATOM 0 HA THR B 69 -4.539 2.131 6.168 1.00 0.00 H new ATOM 0 HB THR B 69 -4.612 3.942 7.765 1.00 0.00 H new ATOM 0 HG1 THR B 69 -2.724 2.374 9.220 1.00 0.00 H new ATOM 0 HG21 THR B 69 -5.723 2.752 9.654 1.00 0.00 H new ATOM 0 HG22 THR B 69 -6.204 2.102 8.069 1.00 0.00 H new ATOM 0 HG23 THR B 69 -5.029 1.220 9.072 1.00 0.00 H new ATOM 1932 N PRO B 70 -2.874 3.515 4.908 1.00 0.00 N ATOM 1933 CA PRO B 70 -1.969 4.355 4.141 1.00 0.00 C ATOM 1934 C PRO B 70 -1.786 5.723 4.806 1.00 0.00 C ATOM 1935 O PRO B 70 -2.683 6.564 4.757 1.00 0.00 O ATOM 1936 CB PRO B 70 -2.588 4.458 2.740 1.00 0.00 C ATOM 1937 CG PRO B 70 -3.375 3.156 2.625 1.00 0.00 C ATOM 1938 CD PRO B 70 -3.909 2.981 4.041 1.00 0.00 C ATOM 0 HA PRO B 70 -0.966 3.932 4.087 1.00 0.00 H new ATOM 0 HB2 PRO B 70 -3.234 5.331 2.646 1.00 0.00 H new ATOM 0 HB3 PRO B 70 -1.826 4.540 1.965 1.00 0.00 H new ATOM 0 HG2 PRO B 70 -4.179 3.229 1.892 1.00 0.00 H new ATOM 0 HG3 PRO B 70 -2.742 2.322 2.322 1.00 0.00 H new ATOM 0 HD2 PRO B 70 -4.850 3.515 4.176 1.00 0.00 H new ATOM 0 HD3 PRO B 70 -4.104 1.931 4.261 1.00 0.00 H new ATOM 1946 N ASN B 71 -0.623 5.938 5.437 1.00 0.00 N ATOM 1947 CA ASN B 71 -0.294 7.186 6.118 1.00 0.00 C ATOM 1948 C ASN B 71 0.065 8.308 5.131 1.00 0.00 C ATOM 1949 O ASN B 71 0.156 9.465 5.538 1.00 0.00 O ATOM 1950 CB ASN B 71 0.839 6.935 7.124 1.00 0.00 C ATOM 1951 CG ASN B 71 1.034 8.096 8.097 1.00 0.00 C ATOM 1952 OD1 ASN B 71 2.047 8.790 8.043 1.00 0.00 O ATOM 1953 ND2 ASN B 71 0.065 8.307 8.992 1.00 0.00 N ATOM 0 H ASN B 71 0.119 5.240 5.486 1.00 0.00 H new ATOM 0 HA ASN B 71 -1.178 7.528 6.656 1.00 0.00 H new ATOM 0 HB2 ASN B 71 0.624 6.027 7.687 1.00 0.00 H new ATOM 0 HB3 ASN B 71 1.768 6.761 6.582 1.00 0.00 H new ATOM 0 HD21 ASN B 71 0.150 9.068 9.665 1.00 0.00 H new ATOM 0 HD22 ASN B 71 -0.760 7.707 9.002 1.00 0.00 H new ATOM 1960 N ILE B 72 0.244 7.975 3.842 1.00 0.00 N ATOM 1961 CA ILE B 72 0.594 8.898 2.768 1.00 0.00 C ATOM 1962 C ILE B 72 -0.563 9.047 1.774 1.00 0.00 C ATOM 1963 O ILE B 72 -1.477 8.223 1.738 1.00 0.00 O ATOM 1964 CB ILE B 72 1.914 8.484 2.082 1.00 0.00 C ATOM 1965 CG1 ILE B 72 1.849 7.270 1.130 1.00 0.00 C ATOM 1966 CG2 ILE B 72 3.035 8.311 3.116 1.00 0.00 C ATOM 1967 CD1 ILE B 72 1.102 6.036 1.640 1.00 0.00 C ATOM 0 H ILE B 72 0.143 7.014 3.514 1.00 0.00 H new ATOM 0 HA ILE B 72 0.765 9.882 3.205 1.00 0.00 H new ATOM 0 HB ILE B 72 2.135 9.320 1.418 1.00 0.00 H new ATOM 0 HG12 ILE B 72 1.380 7.592 0.200 1.00 0.00 H new ATOM 0 HG13 ILE B 72 2.869 6.974 0.886 1.00 0.00 H new ATOM 0 HG21 ILE B 72 3.955 8.019 2.610 1.00 0.00 H new ATOM 0 HG22 ILE B 72 3.193 9.252 3.642 1.00 0.00 H new ATOM 0 HG23 ILE B 72 2.754 7.538 3.832 1.00 0.00 H new ATOM 0 HD11 ILE B 72 1.128 5.255 0.880 1.00 0.00 H new ATOM 0 HD12 ILE B 72 1.579 5.673 2.550 1.00 0.00 H new ATOM 0 HD13 ILE B 72 0.066 6.300 1.853 1.00 0.00 H new