REMARK 1 more waters sorted REMARK 2 will removes then offending side chain atoms for the next round of re CRYST 33.760 47.570 50.940 67.81 89.33 74.40 P1 ATOM 745 N GLY B 2 22.516 2.065 -24.926 1.000 0.488 ATOM 746 CA GLY B 2 22.260 3.499 -24.648 1.000 0.348 ATOM 747 C GLY B 2 23.479 4.179 -24.081 1.000 0.355 ATOM 748 O GLY B 2 24.468 3.503 -23.699 1.000 0.446 ATOM 749 N ASP B 3 23.489 5.502 -23.942 1.000 0.321 ATOM 750 CA ASP B 3 24.766 6.042 -23.332 1.000 0.268 ATOM 753 CB ASP B 3 25.318 7.111 -24.302 1.000 0.305 ATOM 754 CG ASP B 3 26.306 8.076 -23.849 1.000 0.296 ATOM 755 OD1 ASP B 3 26.763 8.444 -22.730 1.000 0.390 ATOM 756 OD2 ASP B 3 26.715 8.619 -24.915 1.000 0.468 ATOM 751 C ASP B 3 24.445 6.701 -22.002 1.000 0.440 ATOM 752 O ASP B 3 23.825 7.755 -21.976 1.000 0.329 ATOM 757 N ALA B 4 24.915 6.036 -20.946 1.000 0.264 ATOM 758 CA ALA B 4 24.759 6.462 -19.601 1.000 0.331 ATOM 761 CB ALA B 4 25.258 5.395 -18.655 1.000 0.276 ATOM 759 C ALA B 4 25.077 7.891 -19.315 1.000 0.578 ATOM 760 O ALA B 4 24.450 8.674 -18.515 1.000 0.314 ATOM 762 N ALA B 5 26.078 8.513 -19.963 1.000 0.414 ATOM 763 CA ALA B 5 26.402 9.898 -19.677 1.000 0.555 ATOM 766 CB ALA B 5 27.807 10.250 -20.229 1.000 0.287 ATOM 764 C ALA B 5 25.394 10.875 -20.271 1.000 0.338 ATOM 765 O ALA B 5 25.056 11.932 -19.740 1.000 0.297 ATOM 767 N ALA B 6 24.905 10.534 -21.441 1.000 0.252 ATOM 768 CA ALA B 6 23.944 11.479 -22.017 1.000 0.358 ATOM 771 CB ALA B 6 23.895 11.394 -23.483 1.000 0.272 ATOM 769 C ALA B 6 22.590 11.292 -21.323 1.000 0.394 ATOM 770 O ALA B 6 21.865 12.252 -21.132 1.000 0.275 ATOM 772 N GLY B 7 22.389 10.043 -20.881 1.000 0.326 ATOM 773 CA GLY B 7 21.152 9.734 -20.174 1.000 0.304 ATOM 774 C GLY B 7 21.023 10.585 -18.923 1.000 0.280 ATOM 775 O GLY B 7 19.999 10.976 -18.390 1.000 0.295 ATOM 776 N LYS B 8 22.173 10.883 -18.329 1.000 0.313 ATOM 777 CA LYS B 8 22.108 11.699 -17.113 1.000 0.213 ATOM 780 CB LYS B 8 23.490 11.814 -16.530 1.000 0.241 ATOM 781 CG LYS B 8 23.652 12.483 -15.179 1.000 0.486 ATOM 778 C LYS B 8 21.485 13.045 -17.491 1.000 0.377 ATOM 779 O LYS B 8 20.628 13.616 -16.766 1.000 0.317 ATOM 785 N LYS B 9 21.871 13.569 -18.662 1.000 0.363 ATOM 786 CA LYS B 9 21.338 14.890 -19.074 1.000 0.302 ATOM 789 CB LYS B 9 22.286 15.527 -20.100 1.000 0.321 ATOM 790 CG LYS B 9 23.646 15.721 -19.306 1.000 0.300 ATOM 791 CD LYS B 9 24.286 17.036 -19.698 1.000 0.618 ATOM 787 C LYS B 9 19.940 14.868 -19.490 1.000 0.291 ATOM 788 O LYS B 9 19.065 15.730 -19.256 1.000 0.299 ATOM 794 N ALA B 10 19.651 13.739 -20.173 1.000 0.207 ATOM 795 CA ALA B 10 18.278 13.490 -20.679 1.000 0.283 ATOM 798 CB ALA B 10 18.378 12.276 -21.596 1.000 0.232 ATOM 796 C ALA B 10 17.302 13.178 -19.505 1.000 0.282 ATOM 797 O ALA B 10 16.059 13.147 -19.726 1.000 0.302 ATOM 799 N PHE B 11 17.746 12.931 -18.298 1.000 0.359 ATOM 800 CA PHE B 11 16.834 12.564 -17.125 1.000 0.329 ATOM 803 CB PHE B 11 17.760 11.846 -16.115 1.000 0.202 ATOM 804 CG PHE B 11 17.077 11.381 -14.864 1.000 0.213 ATOM 805 CD1 PHE B 11 16.311 10.218 -14.828 1.000 0.331 ATOM 806 CD2 PHE B 11 17.223 11.985 -13.630 1.000 0.231 ATOM 807 CE1 PHE B 11 15.670 9.840 -13.638 1.000 0.124 ATOM 808 CE2 PHE B 11 16.617 11.610 -12.356 1.000 0.350 ATOM 809 CZ PHE B 11 15.786 10.498 -12.471 1.000 0.284 ATOM 801 C PHE B 11 16.402 13.915 -16.503 1.000 0.382 ATOM 802 O PHE B 11 15.722 13.856 -15.503 1.000 0.333 ATOM 810 N ALA B 12 16.793 15.057 -17.077 1.000 0.322 ATOM 811 CA ALA B 12 16.448 16.367 -16.558 1.000 0.649 ATOM 814 CB ALA B 12 16.735 17.461 -17.636 1.000 0.500 ATOM 812 C ALA B 12 14.974 16.491 -16.180 1.000 0.226 ATOM 813 O ALA B 12 14.532 16.810 -15.091 1.000 0.290 ATOM 815 N PRO B 13 14.154 16.241 -17.191 1.000 0.255 ATOM 816 CA PRO B 13 12.774 16.377 -16.862 1.000 0.366 ATOM 819 CB PRO B 13 11.982 16.049 -18.126 1.000 0.359 ATOM 820 CG PRO B 13 13.176 15.531 -19.033 1.000 0.246 ATOM 821 CD PRO B 13 14.506 16.180 -18.614 1.000 0.308 ATOM 817 C PRO B 13 12.296 15.523 -15.709 1.000 0.425 ATOM 818 O PRO B 13 11.366 15.860 -14.929 1.000 0.438 ATOM 822 N CYS B 14 12.935 14.371 -15.651 1.000 0.289 ATOM 823 CA CYS B 14 12.507 13.458 -14.587 1.000 0.228 ATOM 826 CB CYS B 14 13.273 12.097 -14.732 1.000 0.236 ATOM 827 SG CYS B 14 13.297 11.447 -16.423 1.000 0.302 ATOM 824 C CYS B 14 12.835 14.010 -13.219 1.000 0.294 ATOM 825 O CYS B 14 12.136 13.623 -12.246 1.000 0.277 ATOM 828 N LYS B 15 13.884 14.793 -13.080 1.000 0.243 ATOM 829 CA LYS B 15 14.353 15.307 -11.806 1.000 0.420 ATOM 832 CB LYS B 15 15.623 16.141 -11.995 1.000 0.566 ATOM 833 CG LYS B 15 16.895 15.391 -12.095 1.000 0.419 ATOM 834 CD LYS B 15 18.064 16.513 -11.850 1.000 0.447 ATOM 830 C LYS B 15 13.359 16.095 -10.981 1.000 0.369 ATOM 831 O LYS B 15 13.404 16.121 -9.755 1.000 0.323 ATOM 837 N ALA B 16 12.440 16.767 -11.647 1.000 0.418 ATOM 838 CA ALA B 16 11.400 17.552 -10.922 1.000 0.410 ATOM 841 CB ALA B 16 10.384 17.952 -12.052 1.000 0.288 ATOM 839 C ALA B 16 10.620 16.509 -10.061 1.000 0.806 ATOM 840 O ALA B 16 10.137 16.896 -9.002 1.000 0.367 ATOM 842 N CYS B 17 10.532 15.221 -10.447 1.000 0.249 ATOM 843 CA CYS B 17 9.702 14.395 -9.535 1.000 0.347 ATOM 846 CB CYS B 17 8.446 13.906 -10.252 1.000 0.327 ATOM 847 SG CYS B 17 7.497 15.129 -11.144 1.000 0.320 ATOM 844 C CYS B 17 10.404 13.197 -8.982 1.000 0.300 ATOM 845 O CYS B 17 9.777 12.540 -8.112 1.000 0.308 ATOM 848 N HIS B 18 11.610 13.003 -9.493 1.000 0.324 ATOM 849 CA HIS B 18 12.326 11.792 -8.985 1.000 0.261 ATOM 852 CB HIS B 18 12.385 10.794 -10.150 1.000 0.258 ATOM 853 CG HIS B 18 11.102 10.175 -10.601 1.000 0.356 ATOM 854 ND1 HIS B 18 10.417 9.244 -9.845 1.000 0.236 ATOM 855 CD2 HIS B 18 10.456 10.236 -11.791 1.000 0.250 ATOM 856 CE1 HIS B 18 9.387 8.802 -10.549 1.000 0.274 ATOM 857 NE2 HIS B 18 9.380 9.370 -11.745 1.000 0.216 ATOM 850 C HIS B 18 13.821 12.140 -8.710 1.000 0.294 ATOM 851 O HIS B 18 14.420 12.975 -9.318 1.000 0.350 ATOM 858 N ASN B 19 14.376 11.402 -7.765 1.000 0.203 ATOM 859 CA ASN B 19 15.777 11.445 -7.421 1.000 0.393 ATOM 862 CB ASN B 19 16.220 12.534 -6.483 1.000 0.409 ATOM 863 CG ASN B 19 15.691 12.355 -5.106 1.000 0.335 ATOM 864 OD1 ASN B 19 15.844 11.300 -4.440 1.000 0.354 ATOM 865 ND2 ASN B 19 15.013 13.420 -4.653 1.000 0.503 ATOM 860 C ASN B 19 16.181 10.052 -6.926 1.000 0.372 ATOM 861 O ASN B 19 15.288 9.151 -6.891 1.000 0.343 ATOM 866 N PHE B 20 17.415 9.801 -6.497 1.000 0.296 ATOM 867 CA PHE B 20 17.570 8.372 -6.110 1.000 0.306 ATOM 870 CB PHE B 20 18.792 7.776 -6.838 1.000 0.356 ATOM 871 CG PHE B 20 18.716 7.910 -8.311 1.000 0.272 ATOM 872 CD1 PHE B 20 19.016 9.142 -8.878 1.000 0.263 ATOM 873 CD2 PHE B 20 18.251 6.838 -9.042 1.000 0.236 ATOM 874 CE1 PHE B 20 18.838 9.273 -10.251 1.000 0.311 ATOM 875 CE2 PHE B 20 18.135 6.955 -10.502 1.000 0.229 ATOM 876 CZ PHE B 20 18.424 8.176 -11.016 1.000 0.425 ATOM 868 C PHE B 20 17.851 8.294 -4.615 1.000 0.356 ATOM 869 O PHE B 20 18.534 7.401 -4.159 1.000 0.375 ATOM 877 N ALA B 21 17.270 9.255 -3.925 1.000 0.374 ATOM 878 CA ALA B 21 17.509 9.264 -2.491 1.000 0.535 ATOM 881 CB ALA B 21 18.525 10.351 -2.155 1.000 0.522 ATOM 879 C ALA B 21 16.234 9.387 -1.736 1.000 0.572 ATOM 880 O ALA B 21 15.959 8.799 -0.692 1.000 0.472 ATOM 882 N LYS B 22 15.283 10.196 -2.235 1.000 0.314 ATOM 883 CA LYS B 22 14.134 10.090 -1.224 1.000 0.342 ATOM 886 CB LYS B 22 14.327 11.364 -0.321 1.000 0.433 ATOM 887 CG LYS B 22 14.183 12.506 -1.304 1.000 0.477 ATOM 888 CD LYS B 22 15.280 13.573 -1.196 1.000 1.060 ATOM 884 C LYS B 22 12.848 10.249 -2.004 1.000 0.476 ATOM 885 O LYS B 22 12.839 10.645 -3.200 1.000 0.370 ATOM 891 N ASN B 23 11.736 9.931 -1.342 1.000 0.332 ATOM 892 CA ASN B 23 10.491 10.111 -2.133 1.000 0.312 ATOM 895 CB ASN B 23 9.322 9.417 -1.460 1.000 0.307 ATOM 896 CG ASN B 23 9.584 7.864 -1.735 1.000 0.318 ATOM 897 OD1 ASN B 23 10.055 7.566 -2.789 1.000 0.325 ATOM 898 ND2 ASN B 23 9.220 7.083 -0.736 1.000 0.338 ATOM 893 C ASN B 23 10.192 11.610 -2.256 1.000 0.352 ATOM 894 O ASN B 23 10.877 12.296 -1.522 1.000 0.464 ATOM 899 N GLY B 24 9.271 11.967 -3.126 1.000 0.467 ATOM 900 CA GLY B 24 8.854 13.348 -3.336 1.000 0.310 ATOM 901 C GLY B 24 7.574 13.298 -4.121 1.000 0.308 ATOM 902 O GLY B 24 6.676 12.550 -3.711 1.000 0.365 ATOM 903 N VAL B 25 7.480 13.999 -5.250 1.000 0.332 ATOM 904 CA VAL B 25 6.183 13.867 -5.972 1.000 0.220 ATOM 907 CB VAL B 25 6.098 14.880 -7.132 1.000 0.257 ATOM 908 CG1 VAL B 25 4.982 14.626 -8.127 1.000 0.320 ATOM 909 CG2 VAL B 25 5.999 16.358 -6.692 1.000 0.333 ATOM 905 C VAL B 25 6.073 12.453 -6.507 1.000 0.378 ATOM 906 O VAL B 25 4.946 11.926 -6.577 1.000 0.326 ATOM 910 N GLY B 26 7.260 11.964 -6.883 1.000 0.290 ATOM 911 CA GLY B 26 7.285 10.572 -7.443 1.000 0.263 ATOM 912 C GLY B 26 8.221 9.777 -6.555 1.000 0.236 ATOM 913 O GLY B 26 9.013 10.363 -5.767 1.000 0.273 ATOM 914 N PRO B 27 8.260 8.449 -6.688 1.000 0.330 ATOM 915 CA PRO B 27 9.141 7.635 -5.869 1.000 0.193 ATOM 918 CB PRO B 27 8.670 6.181 -6.231 1.000 0.222 ATOM 919 CG PRO B 27 8.100 6.301 -7.659 1.000 0.229 ATOM 920 CD PRO B 27 7.441 7.673 -7.638 1.000 0.400 ATOM 916 C PRO B 27 10.606 7.764 -6.114 1.000 0.197 ATOM 917 O PRO B 27 11.138 8.114 -7.182 1.000 0.263 ATOM 921 N THR B 28 11.408 7.391 -5.092 1.000 0.270 ATOM 922 CA THR B 28 12.880 7.451 -5.382 1.000 0.193 ATOM 925 CB THR B 28 13.689 6.954 -4.164 1.000 0.223 ATOM 927 CG2 THR B 28 13.147 5.736 -3.553 1.000 0.287 ATOM 926 OG1 THR B 28 15.057 6.693 -4.569 1.000 0.426 ATOM 923 C THR B 28 13.079 6.398 -6.512 1.000 0.319 ATOM 924 O THR B 28 12.225 5.496 -6.541 1.000 0.267 ATOM 928 N LEU B 29 14.107 6.465 -7.337 1.000 0.301 ATOM 929 CA LEU B 29 14.249 5.439 -8.375 1.000 0.187 ATOM 932 CB LEU B 29 14.344 6.170 -9.767 1.000 0.228 ATOM 933 CG LEU B 29 13.096 6.986 -10.216 1.000 0.349 ATOM 934 CD1 LEU B 29 13.341 7.382 -11.663 1.000 0.343 ATOM 935 CD2 LEU B 29 11.861 6.032 -10.378 1.000 0.175 ATOM 930 C LEU B 29 15.416 4.554 -8.171 1.000 0.302 ATOM 931 O LEU B 29 15.956 3.937 -9.115 1.000 0.318 ATOM 936 N LYS B 30 15.831 4.543 -6.911 1.000 0.269 ATOM 937 CA LYS B 30 17.013 3.707 -6.618 1.000 0.317 ATOM 940 CB LYS B 30 17.292 3.877 -5.081 1.000 0.515 ATOM 941 CG LYS B 30 18.895 3.569 -4.879 1.000 0.441 ATOM 942 CD LYS B 30 18.953 3.491 -3.344 1.000 0.592 ATOM 943 CE LYS B 30 20.334 3.748 -2.744 1.000 0.709 ATOM 938 C LYS B 30 16.668 2.229 -6.853 1.000 0.250 ATOM 939 O LYS B 30 15.636 1.859 -6.277 1.000 0.404 ATOM 945 N GLY B 31 17.475 1.513 -7.591 1.000 0.409 ATOM 946 CA GLY B 31 17.340 0.092 -7.893 1.000 0.456 ATOM 947 C GLY B 31 16.048 -0.243 -8.608 1.000 0.423 ATOM 948 O GLY B 31 15.384 -1.253 -8.305 1.000 0.302 ATOM 949 N VAL B 32 15.612 0.618 -9.518 1.000 0.287 ATOM 950 CA VAL B 32 14.277 0.302 -10.099 1.000 0.403 ATOM 953 CB VAL B 32 13.633 1.656 -10.589 1.000 0.228 ATOM 954 CG1 VAL B 32 14.254 2.310 -11.661 1.000 0.257 ATOM 955 CG2 VAL B 32 12.239 1.388 -10.957 1.000 0.253 ATOM 951 C VAL B 32 14.332 -0.693 -11.217 1.000 0.194 ATOM 952 O VAL B 32 13.366 -1.367 -11.575 1.000 0.260 ATOM 956 N VAL B 33 15.515 -0.811 -11.862 1.000 0.244 ATOM 957 CA VAL B 33 15.688 -1.683 -12.969 1.000 0.291 ATOM 960 CB VAL B 33 16.977 -1.506 -13.724 1.000 0.436 ATOM 961 CG1 VAL B 33 16.914 -2.386 -15.097 1.000 0.353 ATOM 962 CG2 VAL B 33 16.883 0.033 -14.134 1.000 0.291 ATOM 958 C VAL B 33 15.593 -3.159 -12.440 1.000 0.366 ATOM 959 O VAL B 33 16.387 -3.402 -11.580 1.000 0.381 ATOM 963 N GLY B 34 14.659 -3.869 -13.002 1.000 0.290 ATOM 964 CA GLY B 34 14.306 -5.246 -12.795 1.000 0.242 ATOM 965 C GLY B 34 13.457 -5.274 -11.547 1.000 0.419 ATOM 966 O GLY B 34 13.132 -6.380 -11.168 1.000 0.363 ATOM 967 N ALA B 35 13.081 -4.160 -10.925 1.000 0.341 ATOM 968 CA ALA B 35 12.180 -4.343 -9.749 1.000 0.253 ATOM 971 CB ALA B 35 12.183 -3.038 -8.945 1.000 0.232 ATOM 969 C ALA B 35 10.728 -4.535 -10.275 1.000 0.268 ATOM 970 O ALA B 35 10.394 -4.268 -11.426 1.000 0.310 ATOM 972 N LYS B 36 9.839 -4.996 -9.397 1.000 0.218 ATOM 973 CA LYS B 36 8.413 -5.138 -9.758 1.000 0.363 ATOM 976 CB LYS B 36 7.709 -5.906 -8.554 1.000 0.363 ATOM 977 CG LYS B 36 7.841 -7.408 -8.729 1.000 0.683 ATOM 978 CD LYS B 36 7.011 -8.085 -9.797 1.000 0.807 ATOM 979 CE LYS B 36 5.491 -8.154 -9.671 1.000 0.714 ATOM 974 C LYS B 36 7.848 -3.655 -9.616 1.000 0.331 ATOM 975 O LYS B 36 8.247 -2.946 -8.714 1.000 0.291 ATOM 981 N ALA B 37 6.979 -3.233 -10.492 1.000 0.323 ATOM 982 CA ALA B 37 6.449 -1.873 -10.375 1.000 0.359 ATOM 985 CB ALA B 37 5.467 -1.696 -11.594 1.000 0.244 ATOM 983 C ALA B 37 5.564 -1.671 -9.156 1.000 0.270 ATOM 984 O ALA B 37 4.911 -2.602 -8.733 1.000 0.298 ATOM 986 N GLY B 38 5.491 -0.421 -8.679 1.000 0.498 ATOM 987 CA GLY B 38 4.594 -0.079 -7.586 1.000 0.191 ATOM 988 C GLY B 38 4.749 -0.827 -6.298 1.000 0.415 ATOM 989 O GLY B 38 3.780 -1.009 -5.554 1.000 0.272 ATOM 990 N LYS B 39 6.016 -1.180 -5.987 1.000 0.235 ATOM 991 CA LYS B 39 6.006 -1.928 -4.692 1.000 0.432 ATOM 994 CB LYS B 39 6.289 -3.428 -5.095 1.000 0.491 ATOM 995 CG LYS B 39 4.981 -4.178 -5.354 1.000 0.713 ATOM 992 C LYS B 39 7.080 -1.454 -3.792 1.000 0.445 ATOM 993 O LYS B 39 7.206 -1.741 -2.581 1.000 0.386 ATOM 999 N GLY B 40 8.063 -0.692 -4.297 1.000 0.531 ATOM 1000 CA GLY B 40 8.995 -0.419 -3.170 1.000 0.404 ATOM 1001 C GLY B 40 8.963 1.048 -2.802 1.000 0.443 ATOM 1002 O GLY B 40 7.937 1.604 -2.415 1.000 0.382 ATOM 1003 N ALA B 41 10.177 1.586 -2.918 1.000 0.408 ATOM 1004 CA ALA B 41 10.423 2.998 -2.633 1.000 0.429 ATOM 1007 CB ALA B 41 9.864 3.834 -3.765 1.000 0.321 ATOM 1005 C ALA B 41 9.952 3.409 -1.267 1.000 0.423 ATOM 1006 O ALA B 41 9.179 4.328 -0.947 1.000 0.443 ATOM 1008 N ASP B 42 10.493 2.680 -0.275 1.000 0.408 ATOM 1009 CA ASP B 42 10.176 3.023 1.105 1.000 0.372 ATOM 1012 CB ASP B 42 11.108 4.184 1.534 1.000 0.285 ATOM 1013 CG ASP B 42 12.536 3.652 1.346 1.000 0.497 ATOM 1014 OD1 ASP B 42 13.317 4.312 0.669 1.000 0.638 ATOM 1015 OD2 ASP B 42 12.788 2.565 1.932 1.000 0.509 ATOM 1010 C ASP B 42 8.770 3.365 1.453 1.000 0.338 ATOM 1011 O ASP B 42 8.692 4.283 2.299 1.000 0.441 ATOM 1016 N GLY B 43 7.704 2.706 1.009 1.000 0.416 ATOM 1017 CA GLY B 43 6.366 3.102 1.452 1.000 0.402 ATOM 1018 C GLY B 43 5.711 4.101 0.512 1.000 0.536 ATOM 1019 O GLY B 43 4.560 4.461 0.718 1.000 0.431 ATOM 1020 N TYR B 44 6.365 4.584 -0.546 1.000 0.303 ATOM 1021 CA TYR B 44 5.694 5.526 -1.433 1.000 0.440 ATOM 1024 CB TYR B 44 6.522 5.729 -2.732 1.000 0.272 ATOM 1025 CG TYR B 44 5.841 6.586 -3.726 1.000 0.185 ATOM 1026 CD1 TYR B 44 6.036 7.999 -3.662 1.000 0.322 ATOM 1027 CD2 TYR B 44 4.942 6.133 -4.672 1.000 0.284 ATOM 1028 CE1 TYR B 44 5.374 8.804 -4.555 1.000 0.371 ATOM 1029 CE2 TYR B 44 4.294 6.969 -5.627 1.000 0.285 ATOM 1030 CZ TYR B 44 4.458 8.340 -5.489 1.000 0.482 ATOM 1031 OH TYR B 44 3.905 9.319 -6.303 1.000 0.318 ATOM 1022 C TYR B 44 4.316 4.994 -1.768 1.000 0.289 ATOM 1023 O TYR B 44 4.047 3.825 -2.015 1.000 0.300 ATOM 1032 N ALA B 45 3.390 5.954 -1.856 1.000 0.382 ATOM 1033 CA ALA B 45 2.008 5.641 -2.123 1.000 0.288 ATOM 1036 CB ALA B 45 1.113 6.772 -1.523 1.000 0.344 ATOM 1034 C ALA B 45 1.728 5.548 -3.609 1.000 0.383 ATOM 1035 O ALA B 45 1.335 6.510 -4.243 1.000 0.390 ATOM 1037 N PHE B 46 1.971 4.382 -4.178 1.000 0.313 ATOM 1038 CA PHE B 46 1.718 4.240 -5.624 1.000 0.317 ATOM 1041 CB PHE B 46 2.299 2.848 -6.041 1.000 0.293 ATOM 1042 CG PHE B 46 3.827 2.934 -6.112 1.000 0.216 ATOM 1043 CD1 PHE B 46 4.471 3.443 -7.202 1.000 0.311 ATOM 1044 CD2 PHE B 46 4.595 2.372 -5.122 1.000 0.210 ATOM 1045 CE1 PHE B 46 5.913 3.379 -7.211 1.000 0.290 ATOM 1046 CE2 PHE B 46 6.042 2.307 -5.118 1.000 0.355 ATOM 1047 CZ PHE B 46 6.661 2.920 -6.188 1.000 0.169 ATOM 1039 C PHE B 46 0.235 4.214 -5.920 1.000 0.365 ATOM 1040 O PHE B 46 -0.608 4.005 -5.038 1.000 0.308 ATOM 1048 N SER B 47 -0.090 4.499 -7.186 1.000 0.263 ATOM 1049 CA SER B 47 -1.550 4.415 -7.508 1.000 0.284 ATOM 1052 CB SER B 47 -1.725 4.983 -8.911 1.000 0.274 ATOM 1053 OG SER B 47 -1.114 4.046 -9.776 1.000 0.288 ATOM 1050 C SER B 47 -1.963 2.932 -7.546 1.000 0.565 ATOM 1051 O SER B 47 -1.132 2.029 -7.688 1.000 0.300 ATOM 1054 N ASP B 48 -3.261 2.652 -7.469 1.000 0.388 ATOM 1055 CA ASP B 48 -3.811 1.285 -7.541 1.000 0.316 ATOM 1058 CB ASP B 48 -5.378 1.447 -7.560 1.000 0.511 ATOM 1059 CG ASP B 48 -5.960 1.073 -6.230 1.000 0.669 ATOM 1060 OD1 ASP B 48 -5.959 2.027 -5.418 1.000 0.627 ATOM 1061 OD2 ASP B 48 -6.360 -0.080 -6.016 1.000 1.018 ATOM 1056 C ASP B 48 -3.463 0.679 -8.908 1.000 0.300 ATOM 1057 O ASP B 48 -3.036 -0.468 -9.069 1.000 0.381 ATOM 1062 N ALA B 49 -3.659 1.510 -9.951 1.000 0.232 ATOM 1063 CA ALA B 49 -3.367 1.108 -11.295 1.000 0.215 ATOM 1066 CB ALA B 49 -3.523 2.205 -12.321 1.000 0.245 ATOM 1064 C ALA B 49 -1.926 0.514 -11.368 1.000 0.268 ATOM 1065 O ALA B 49 -1.790 -0.602 -11.799 1.000 0.377 ATOM 1067 N LEU B 50 -0.912 1.283 -10.940 1.000 0.309 ATOM 1068 CA LEU B 50 0.458 0.737 -10.968 1.000 0.350 ATOM 1071 CB LEU B 50 1.496 1.804 -10.607 1.000 0.309 ATOM 1072 CG LEU B 50 2.963 1.512 -11.038 1.000 0.271 ATOM 1073 CD1 LEU B 50 2.860 1.368 -12.573 1.000 0.292 ATOM 1074 CD2 LEU B 50 3.828 2.743 -10.692 1.000 0.343 ATOM 1069 C LEU B 50 0.551 -0.455 -10.026 1.000 0.687 ATOM 1070 O LEU B 50 1.110 -1.513 -10.308 1.000 0.276 ATOM 1075 N LYS B 51 -0.031 -0.391 -8.825 1.000 0.385 ATOM 1076 CA LYS B 51 0.048 -1.551 -7.976 1.000 0.371 ATOM 1079 CB LYS B 51 -0.552 -1.254 -6.567 1.000 0.332 ATOM 1080 CG LYS B 51 0.518 -0.419 -5.876 1.000 0.377 ATOM 1081 CD LYS B 51 -0.080 0.084 -4.521 1.000 0.574 ATOM 1082 CE LYS B 51 -1.542 -0.348 -4.348 1.000 0.470 ATOM 1077 C LYS B 51 -0.614 -2.778 -8.544 1.000 0.438 ATOM 1078 O LYS B 51 -0.185 -3.932 -8.310 1.000 0.495 ATOM 1084 N LYS B 52 -1.698 -2.679 -9.301 1.000 0.385 ATOM 1085 CA LYS B 52 -2.201 -4.018 -9.785 1.000 0.541 ATOM 1088 CB LYS B 52 -3.750 -3.707 -10.126 1.000 0.427 ATOM 1089 CG LYS B 52 -4.485 -3.629 -8.804 1.000 0.410 ATOM 1090 CD LYS B 52 -5.773 -2.806 -8.910 1.000 1.354 ATOM 1091 CE LYS B 52 -6.582 -2.949 -7.619 1.000 0.758 ATOM 1092 NZ LYS B 52 -7.639 -1.907 -7.505 1.000 1.558 ATOM 1086 C LYS B 52 -1.589 -4.296 -11.161 1.000 0.306 ATOM 1087 O LYS B 52 -2.160 -5.179 -11.823 1.000 0.472 ATOM 1093 N SER B 53 -0.585 -3.587 -11.658 1.000 0.380 ATOM 1094 CA SER B 53 -0.172 -3.865 -13.046 1.000 0.456 ATOM 1097 CB SER B 53 0.792 -2.719 -13.518 1.000 0.309 ATOM 1098 OG SER B 53 1.957 -2.816 -12.703 1.000 0.368 ATOM 1095 C SER B 53 0.545 -5.154 -13.288 1.000 0.367 ATOM 1096 O SER B 53 0.673 -5.627 -14.444 1.000 0.354 ATOM 1099 N GLY B 54 1.102 -5.642 -12.197 1.000 0.292 ATOM 1100 CA GLY B 54 1.894 -6.861 -12.283 1.000 0.345 ATOM 1101 C GLY B 54 3.106 -6.671 -13.171 1.000 1.050 ATOM 1102 O GLY B 54 3.707 -7.655 -13.603 1.000 0.430 ATOM 1103 N LEU B 55 3.593 -5.446 -13.379 1.000 0.328 ATOM 1104 CA LEU B 55 4.742 -5.298 -14.253 1.000 0.272 ATOM 1107 CB LEU B 55 4.702 -3.774 -14.781 1.000 0.276 ATOM 1108 CG LEU B 55 3.850 -3.415 -15.925 1.000 0.315 ATOM 1109 CD1 LEU B 55 3.285 -2.090 -16.370 1.000 0.305 ATOM 1110 CD2 LEU B 55 3.622 -4.398 -17.084 1.000 0.404 ATOM 1105 C LEU B 55 6.060 -5.406 -13.508 1.000 0.300 ATOM 1106 O LEU B 55 6.160 -5.091 -12.313 1.000 0.311 ATOM 1111 N THR B 56 7.061 -5.787 -14.297 1.000 0.341 ATOM 1112 CA THR B 56 8.467 -5.847 -13.839 1.000 0.319 ATOM 1115 CB THR B 56 9.077 -7.268 -13.917 1.000 0.292 ATOM 1117 CG2 THR B 56 10.592 -7.173 -13.540 1.000 0.336 ATOM 1116 OG1 THR B 56 8.525 -8.058 -12.867 1.000 0.312 ATOM 1113 C THR B 56 9.235 -4.856 -14.680 1.000 0.269 ATOM 1114 O THR B 56 9.216 -4.784 -15.961 1.000 0.317 ATOM 1118 N TRP B 57 10.015 -3.969 -14.025 1.000 0.364 ATOM 1119 CA TRP B 57 10.708 -3.028 -14.847 1.000 0.229 ATOM 1122 CB TRP B 57 11.069 -1.748 -14.026 1.000 0.540 ATOM 1123 CG TRP B 57 9.854 -1.011 -13.505 1.000 0.369 ATOM 1124 CD1 TRP B 57 9.569 -0.569 -12.229 1.000 0.243 ATOM 1126 NE1 TRP B 57 8.379 0.094 -12.245 1.000 0.273 ATOM 1127 CE2 TRP B 57 7.851 0.062 -13.514 1.000 0.441 ATOM 1129 CZ2 TRP B 57 6.699 0.636 -14.044 1.000 0.344 ATOM 1131 CH2 TRP B 57 6.496 0.556 -15.370 1.000 0.299 ATOM 1130 CZ3 TRP B 57 7.452 -0.098 -16.227 1.000 0.197 ATOM 1128 CE3 TRP B 57 8.574 -0.596 -15.729 1.000 0.230 ATOM 1125 CD2 TRP B 57 8.814 -0.517 -14.344 1.000 0.251 ATOM 1120 C TRP B 57 11.949 -3.519 -15.554 1.000 0.238 ATOM 1121 O TRP B 57 13.050 -2.999 -15.212 1.000 0.332 ATOM 1132 N ASP B 58 11.891 -4.429 -16.525 1.000 0.317 ATOM 1133 CA ASP B 58 13.188 -4.706 -17.218 1.000 0.269 ATOM 1136 CB ASP B 58 13.150 -6.062 -17.971 1.000 0.257 ATOM 1137 CG ASP B 58 11.843 -6.303 -18.642 1.000 0.381 ATOM 1138 OD1 ASP B 58 10.976 -5.455 -18.996 1.000 0.386 ATOM 1139 OD2 ASP B 58 11.603 -7.522 -18.844 1.000 0.371 ATOM 1134 C ASP B 58 13.196 -3.596 -18.330 1.000 0.284 ATOM 1135 O ASP B 58 12.309 -2.751 -18.434 1.000 0.348 ATOM 1140 N LYS B 59 14.209 -3.670 -19.141 1.000 0.222 ATOM 1141 CA LYS B 59 14.432 -2.779 -20.208 1.000 0.340 ATOM 1144 CB LYS B 59 15.707 -3.180 -21.021 1.000 0.492 ATOM 1145 CG LYS B 59 17.091 -2.933 -20.441 1.000 0.673 ATOM 1142 C LYS B 59 13.273 -2.657 -21.172 1.000 0.343 ATOM 1143 O LYS B 59 12.974 -1.527 -21.595 1.000 0.342 ATOM 1149 N ALA B 60 12.707 -3.786 -21.555 1.000 0.239 ATOM 1150 CA ALA B 60 11.601 -3.698 -22.566 1.000 0.287 ATOM 1153 CB ALA B 60 11.165 -5.218 -22.777 1.000 0.271 ATOM 1151 C ALA B 60 10.390 -3.010 -21.929 1.000 0.285 ATOM 1152 O ALA B 60 9.734 -2.206 -22.578 1.000 0.350 ATOM 1154 N ASP B 61 10.004 -3.323 -20.702 1.000 0.209 ATOM 1155 CA ASP B 61 8.813 -2.631 -20.166 1.000 0.375 ATOM 1158 CB ASP B 61 8.353 -3.341 -18.850 1.000 0.308 ATOM 1159 CG ASP B 61 7.673 -4.648 -19.241 1.000 0.471 ATOM 1160 OD1 ASP B 61 6.501 -4.530 -19.590 1.000 0.364 ATOM 1161 OD2 ASP B 61 8.308 -5.720 -19.211 1.000 0.308 ATOM 1156 C ASP B 61 9.110 -1.189 -19.863 1.000 0.225 ATOM 1157 O ASP B 61 8.261 -0.289 -20.034 1.000 0.213 ATOM 1162 N LEU B 62 10.357 -0.917 -19.449 1.000 0.295 ATOM 1163 CA LEU B 62 10.689 0.490 -19.156 1.000 0.268 ATOM 1166 CB LEU B 62 12.080 0.566 -18.547 1.000 0.250 ATOM 1167 CG LEU B 62 12.098 0.186 -17.057 1.000 0.348 ATOM 1168 CD1 LEU B 62 13.798 0.293 -16.792 1.000 0.230 ATOM 1169 CD2 LEU B 62 11.634 1.565 -16.379 1.000 0.320 ATOM 1164 C LEU B 62 10.634 1.355 -20.402 1.000 0.347 ATOM 1165 O LEU B 62 10.314 2.537 -20.312 1.000 0.308 ATOM 1170 N LYS B 63 11.030 0.835 -21.565 1.000 0.246 ATOM 1171 CA LYS B 63 10.990 1.572 -22.800 1.000 0.235 ATOM 1174 CB LYS B 63 11.525 0.656 -23.967 1.000 0.299 ATOM 1175 CG LYS B 63 13.077 0.740 -24.084 1.000 0.404 ATOM 1176 CD LYS B 63 13.528 -0.337 -25.078 1.000 0.333 ATOM 1177 CE LYS B 63 14.954 -0.816 -24.994 1.000 0.943 ATOM 1178 NZ LYS B 63 15.052 -2.054 -25.921 1.000 0.452 ATOM 1172 C LYS B 63 9.557 1.946 -23.164 1.000 0.288 ATOM 1173 O LYS B 63 9.363 3.013 -23.705 1.000 0.349 ATOM 1179 N GLN B 64 8.616 1.024 -22.915 1.000 0.272 ATOM 1180 CA GLN B 64 7.225 1.466 -23.359 1.000 0.245 ATOM 1183 CB GLN B 64 6.335 0.179 -23.195 1.000 0.281 ATOM 1184 CG GLN B 64 6.649 -0.886 -24.276 1.000 0.244 ATOM 1185 CD GLN B 64 5.653 -2.011 -24.288 1.000 0.359 ATOM 1186 OE1 GLN B 64 4.921 -2.267 -23.331 1.000 0.393 ATOM 1187 NE2 GLN B 64 5.616 -2.767 -25.371 1.000 0.263 ATOM 1181 C GLN B 64 6.707 2.434 -22.283 1.000 0.406 ATOM 1182 O GLN B 64 5.919 3.335 -22.521 1.000 0.436 ATOM 1188 N TRP B 65 7.120 2.204 -21.041 1.000 0.260 ATOM 1189 CA TRP B 65 6.593 3.118 -20.001 1.000 0.171 ATOM 1192 CB TRP B 65 7.258 2.709 -18.654 1.000 0.303 ATOM 1193 CG TRP B 65 7.000 3.567 -17.432 1.000 0.275 ATOM 1194 CD1 TRP B 65 7.950 4.251 -16.716 1.000 0.285 ATOM 1196 NE1 TRP B 65 7.415 4.845 -15.602 1.000 0.154 ATOM 1197 CE2 TRP B 65 6.048 4.655 -15.650 1.000 0.199 ATOM 1199 CZ2 TRP B 65 5.059 5.039 -14.770 1.000 0.269 ATOM 1201 CH2 TRP B 65 3.736 4.654 -15.091 1.000 0.315 ATOM 1200 CZ3 TRP B 65 3.413 3.930 -16.203 1.000 0.300 ATOM 1198 CE3 TRP B 65 4.425 3.542 -17.064 1.000 0.278 ATOM 1195 CD2 TRP B 65 5.760 3.800 -16.727 1.000 0.242 ATOM 1190 C TRP B 65 7.040 4.539 -20.324 1.000 0.287 ATOM 1191 O TRP B 65 6.227 5.427 -20.251 1.000 0.271 ATOM 1202 N LEU B 66 8.331 4.708 -20.662 1.000 0.270 ATOM 1203 CA LEU B 66 8.772 6.085 -20.977 1.000 0.214 ATOM 1206 CB LEU B 66 10.305 6.187 -20.856 1.000 0.205 ATOM 1207 CG LEU B 66 10.779 5.657 -19.482 1.000 0.309 ATOM 1208 CD1 LEU B 66 12.338 5.732 -19.455 1.000 0.462 ATOM 1209 CD2 LEU B 66 10.227 6.647 -18.347 1.000 0.563 ATOM 1204 C LEU B 66 8.242 6.594 -22.266 1.000 0.353 ATOM 1205 O LEU B 66 8.153 7.824 -22.489 1.000 0.328 ATOM 1210 N ALA B 67 7.885 5.687 -23.188 1.000 0.310 ATOM 1211 CA ALA B 67 7.339 6.184 -24.462 1.000 0.620 ATOM 1214 CB ALA B 67 7.016 5.015 -25.399 1.000 0.377 ATOM 1212 C ALA B 67 6.009 6.889 -24.148 1.000 0.405 ATOM 1213 O ALA B 67 5.758 7.987 -24.623 1.000 0.445 ATOM 1215 N ASP B 68 5.231 6.198 -23.319 1.000 0.421 ATOM 1216 CA ASP B 68 3.919 6.809 -22.986 1.000 0.364 ATOM 1219 CB ASP B 68 3.082 6.760 -24.257 1.000 0.391 ATOM 1220 CG ASP B 68 1.631 7.191 -24.062 1.000 0.582 ATOM 1221 OD1 ASP B 68 1.265 7.692 -22.985 1.000 0.455 ATOM 1222 OD2 ASP B 68 0.926 6.972 -25.073 1.000 0.619 ATOM 1217 C ASP B 68 3.275 6.173 -21.825 1.000 0.219 ATOM 1218 O ASP B 68 2.561 5.185 -21.900 1.000 0.382 ATOM 1223 N PRO B 69 3.515 6.741 -20.630 1.000 0.250 ATOM 1224 CA PRO B 69 3.036 6.172 -19.403 1.000 0.175 ATOM 1227 CB PRO B 69 3.531 7.074 -18.278 1.000 0.216 ATOM 1228 CG PRO B 69 4.154 8.071 -18.958 1.000 0.210 ATOM 1229 CD PRO B 69 4.140 8.051 -20.492 1.000 0.277 ATOM 1225 C PRO B 69 1.575 5.905 -19.326 1.000 0.396 ATOM 1226 O PRO B 69 1.244 4.827 -18.819 1.000 0.385 ATOM 1230 N LYS B 70 0.755 6.850 -19.802 1.000 0.290 ATOM 1231 CA LYS B 70 -0.696 6.670 -19.691 1.000 0.439 ATOM 1234 CB LYS B 70 -1.417 7.974 -20.098 1.000 0.260 ATOM 1235 CG LYS B 70 -2.005 7.849 -21.487 1.000 0.373 ATOM 1236 CD LYS B 70 -2.240 9.229 -22.157 1.000 0.914 ATOM 1237 CE LYS B 70 -3.429 9.034 -23.144 1.000 0.567 ATOM 1238 NZ LYS B 70 -4.033 7.677 -22.723 1.000 0.484 ATOM 1232 C LYS B 70 -1.206 5.529 -20.508 1.000 0.276 ATOM 1233 O LYS B 70 -2.155 4.846 -20.121 1.000 0.420 ATOM 1239 N LYS B 71 -0.619 5.282 -21.691 1.000 0.245 ATOM 1240 CA LYS B 71 -1.134 4.130 -22.471 1.000 0.324 ATOM 1243 CB LYS B 71 -0.439 4.248 -23.861 1.000 0.321 ATOM 1244 CG LYS B 71 -0.834 3.398 -25.015 1.000 0.473 ATOM 1245 CD LYS B 71 0.518 3.203 -25.810 1.000 0.429 ATOM 1246 CE LYS B 71 0.232 2.769 -27.297 1.000 0.546 ATOM 1241 C LYS B 71 -0.616 2.815 -21.830 1.000 0.421 ATOM 1242 O LYS B 71 -1.249 1.743 -21.931 1.000 0.333 ATOM 1248 N LYS B 72 0.548 2.818 -21.182 1.000 0.362 ATOM 1249 CA LYS B 72 1.110 1.535 -20.597 1.000 0.187 ATOM 1252 CB LYS B 72 2.588 1.914 -20.172 1.000 0.277 ATOM 1253 CG LYS B 72 3.287 0.642 -19.490 1.000 0.501 ATOM 1254 CD LYS B 72 3.499 -0.536 -20.507 1.000 0.240 ATOM 1255 CE LYS B 72 4.640 -1.437 -19.972 1.000 0.314 ATOM 1256 NZ LYS B 72 4.527 -2.774 -20.829 1.000 0.273 ATOM 1250 C LYS B 72 0.335 1.228 -19.355 1.000 0.316 ATOM 1251 O LYS B 72 -0.010 0.094 -19.181 1.000 0.336 ATOM 1257 N VAL B 73 0.130 2.225 -18.466 1.000 0.202 ATOM 1258 CA VAL B 73 -0.679 1.724 -17.264 1.000 0.276 ATOM 1261 CB VAL B 73 0.279 1.829 -16.045 1.000 0.246 ATOM 1262 CG1 VAL B 73 -0.655 1.480 -14.898 1.000 0.277 ATOM 1263 CG2 VAL B 73 1.366 0.828 -16.037 1.000 0.309 ATOM 1259 C VAL B 73 -1.813 2.752 -17.107 1.000 0.460 ATOM 1260 O VAL B 73 -1.604 3.833 -16.522 1.000 0.345 ATOM 1264 N PRO B 74 -2.990 2.524 -17.683 1.000 0.396 ATOM 1265 CA PRO B 74 -4.084 3.552 -17.600 1.000 0.348 ATOM 1268 CB PRO B 74 -5.255 2.798 -18.275 1.000 0.377 ATOM 1269 CG PRO B 74 -4.459 2.217 -19.466 1.000 0.505 ATOM 1270 CD PRO B 74 -3.354 1.473 -18.648 1.000 0.507 ATOM 1266 C PRO B 74 -4.404 3.865 -16.168 1.000 0.298 ATOM 1267 O PRO B 74 -4.560 2.970 -15.329 1.000 0.320 ATOM 1271 N GLY B 75 -4.423 5.147 -15.781 1.000 0.275 ATOM 1272 CA GLY B 75 -4.761 5.356 -14.349 1.000 0.243 ATOM 1273 C GLY B 75 -3.488 5.663 -13.596 1.000 0.431 ATOM 1274 O GLY B 75 -3.530 6.045 -12.452 1.000 0.279 ATOM 1275 N THR B 76 -2.297 5.644 -14.225 1.000 0.296 ATOM 1276 CA THR B 76 -1.140 5.939 -13.367 1.000 0.363 ATOM 1279 CB THR B 76 0.181 5.758 -14.245 1.000 0.209 ATOM 1281 CG2 THR B 76 0.117 6.636 -15.442 1.000 0.184 ATOM 1280 OG1 THR B 76 1.281 6.068 -13.359 1.000 0.260 ATOM 1277 C THR B 76 -1.137 7.342 -12.878 1.000 0.348 ATOM 1278 O THR B 76 -1.651 8.277 -13.519 1.000 0.361 ATOM 1282 N LYS B 77 -0.570 7.667 -11.739 1.000 0.245 ATOM 1283 CA LYS B 77 -0.653 9.163 -11.597 1.000 0.381 ATOM 1286 CB LYS B 77 -0.810 9.534 -10.142 1.000 0.297 ATOM 1287 CG LYS B 77 0.122 8.965 -9.171 1.000 0.350 ATOM 1288 CD LYS B 77 -0.454 9.388 -7.766 1.000 0.372 ATOM 1289 CE LYS B 77 0.346 8.711 -6.668 1.000 0.416 ATOM 1290 NZ LYS B 77 -0.264 8.709 -5.281 1.000 0.415 ATOM 1284 C LYS B 77 0.697 9.720 -12.105 1.000 0.340 ATOM 1285 O LYS B 77 1.093 10.835 -11.733 1.000 0.332 ATOM 1291 N MET B 78 1.477 8.990 -12.925 1.000 0.295 ATOM 1292 CA MET B 78 2.752 9.761 -13.311 1.000 0.176 ATOM 1295 CB MET B 78 3.751 8.748 -13.889 1.000 0.180 ATOM 1296 CG MET B 78 4.848 9.549 -14.637 1.000 0.326 ATOM 1297 SD MET B 78 6.434 8.476 -14.502 1.000 0.297 ATOM 1298 CE MET B 78 7.251 8.770 -16.190 1.000 0.303 ATOM 1293 C MET B 78 2.297 10.625 -14.534 1.000 0.316 ATOM 1294 O MET B 78 1.997 10.008 -15.545 1.000 0.382 ATOM 1299 N VAL B 79 2.322 11.927 -14.362 1.000 0.318 ATOM 1300 CA VAL B 79 1.888 12.850 -15.408 1.000 0.365 ATOM 1303 CB VAL B 79 1.192 14.093 -14.852 1.000 0.402 ATOM 1304 CG1 VAL B 79 1.485 15.313 -15.625 1.000 0.442 ATOM 1305 CG2 VAL B 79 -0.078 13.848 -14.116 1.000 0.403 ATOM 1301 C VAL B 79 3.033 13.207 -16.301 1.000 0.307 ATOM 1302 O VAL B 79 3.850 14.106 -16.034 1.000 0.556 ATOM 1306 N PHE B 80 3.102 12.498 -17.409 1.000 0.370 ATOM 1307 CA PHE B 80 4.332 12.878 -18.240 1.000 0.269 ATOM 1310 CB PHE B 80 5.484 12.134 -17.612 1.000 0.242 ATOM 1311 CG PHE B 80 6.719 12.160 -18.458 1.000 0.438 ATOM 1312 CD1 PHE B 80 7.528 13.274 -18.386 1.000 0.359 ATOM 1313 CD2 PHE B 80 7.015 11.072 -19.228 1.000 0.435 ATOM 1314 CE1 PHE B 80 8.728 13.307 -19.009 1.000 0.305 ATOM 1315 CE2 PHE B 80 8.161 11.223 -19.938 1.000 0.383 ATOM 1316 CZ PHE B 80 9.035 12.255 -19.844 1.000 0.422 ATOM 1308 C PHE B 80 4.007 12.471 -19.648 1.000 0.320 ATOM 1309 O PHE B 80 3.493 11.355 -19.755 1.000 0.407 ATOM 1317 N PRO B 81 4.180 13.353 -20.612 1.000 0.352 ATOM 1318 CA PRO B 81 3.783 13.097 -21.983 1.000 0.478 ATOM 1321 CB PRO B 81 4.247 14.358 -22.761 1.000 0.397 ATOM 1322 CG PRO B 81 4.984 15.201 -21.839 1.000 0.395 ATOM 1323 CD PRO B 81 4.837 14.680 -20.442 1.000 0.351 ATOM 1319 C PRO B 81 4.414 11.879 -22.617 1.000 0.658 ATOM 1320 O PRO B 81 3.745 11.311 -23.478 1.000 0.521 ATOM 1324 N GLY B 82 5.623 11.522 -22.227 1.000 0.392 ATOM 1325 CA GLY B 82 6.336 10.397 -22.832 1.000 0.736 ATOM 1326 C GLY B 82 7.451 10.854 -23.767 1.000 0.529 ATOM 1327 O GLY B 82 7.409 11.940 -24.359 1.000 0.465 ATOM 1328 N ILE B 83 8.474 10.034 -23.954 1.000 0.461 ATOM 1329 CA ILE B 83 9.582 10.338 -24.885 1.000 0.305 ATOM 1332 CB ILE B 83 10.916 10.095 -24.222 1.000 0.235 ATOM 1333 CG1 ILE B 83 11.046 10.941 -22.971 1.000 0.406 ATOM 1334 CG2 ILE B 83 12.045 10.217 -25.197 1.000 0.287 ATOM 1335 CD1 ILE B 83 12.228 11.004 -22.142 1.000 0.408 ATOM 1330 C ILE B 83 9.486 9.530 -26.138 1.000 0.370 ATOM 1331 O ILE B 83 9.542 8.323 -26.182 1.000 0.465 ATOM 1336 N SER B 84 9.311 10.318 -27.188 1.000 0.374 ATOM 1337 CA SER B 84 9.131 9.805 -28.518 1.000 0.439 ATOM 1340 CB SER B 84 8.446 10.975 -29.332 1.000 1.069 ATOM 1341 OG SER B 84 8.449 11.995 -28.305 1.000 0.732 ATOM 1338 C SER B 84 10.446 9.489 -29.200 1.000 0.566 ATOM 1339 O SER B 84 10.493 8.893 -30.271 1.000 0.695 ATOM 1342 N ASP B 85 11.551 9.929 -28.596 1.000 0.446 ATOM 1343 CA ASP B 85 12.806 9.592 -29.364 1.000 0.285 ATOM 1346 CB ASP B 85 13.691 10.866 -29.181 1.000 0.394 ATOM 1347 CG ASP B 85 15.048 10.361 -29.753 1.000 0.360 ATOM 1348 OD1 ASP B 85 14.827 9.214 -30.199 1.000 0.592 ATOM 1349 OD2 ASP B 85 15.961 11.138 -29.620 1.000 0.635 ATOM 1344 C ASP B 85 13.493 8.390 -28.713 1.000 0.297 ATOM 1345 O ASP B 85 14.167 8.417 -27.666 1.000 0.487 ATOM 1350 N PRO B 86 13.351 7.217 -29.344 1.000 0.392 ATOM 1351 CA PRO B 86 13.888 5.933 -28.867 1.000 0.468 ATOM 1354 CB PRO B 86 13.674 4.996 -30.042 1.000 0.510 ATOM 1355 CG PRO B 86 13.571 5.857 -31.216 1.000 0.551 ATOM 1356 CD PRO B 86 13.560 7.347 -30.801 1.000 0.421 ATOM 1352 C PRO B 86 15.279 5.970 -28.368 1.000 0.297 ATOM 1353 O PRO B 86 15.723 5.308 -27.369 1.000 0.321 ATOM 1357 N LYS B 87 16.105 6.793 -28.984 1.000 0.302 ATOM 1358 CA LYS B 87 17.489 6.902 -28.527 1.000 0.339 ATOM 1361 CB LYS B 87 18.395 7.545 -29.603 1.000 0.480 ATOM 1362 CG LYS B 87 19.282 8.668 -29.117 1.000 0.488 ATOM 1363 CD LYS B 87 20.681 8.937 -29.547 1.000 0.721 ATOM 1364 CE LYS B 87 21.589 9.707 -28.614 1.000 0.991 ATOM 1365 NZ LYS B 87 22.899 9.055 -28.244 1.000 0.637 ATOM 1359 C LYS B 87 17.600 7.588 -27.216 1.000 0.484 ATOM 1360 O LYS B 87 18.381 7.197 -26.324 1.000 0.371 ATOM 1366 N LYS B 88 16.781 8.646 -27.057 1.000 0.307 ATOM 1367 CA LYS B 88 16.925 9.253 -25.719 1.000 0.286 ATOM 1370 CB LYS B 88 15.943 10.463 -25.593 1.000 0.483 ATOM 1371 CG LYS B 88 16.490 11.566 -24.743 1.000 0.494 ATOM 1372 CD LYS B 88 15.729 12.853 -24.890 1.000 0.624 ATOM 1373 CE LYS B 88 15.167 13.173 -26.269 1.000 0.503 ATOM 1374 NZ LYS B 88 15.353 14.680 -26.573 1.000 0.564 ATOM 1368 C LYS B 88 16.378 8.225 -24.688 1.000 0.258 ATOM 1369 O LYS B 88 16.798 8.210 -23.572 1.000 0.315 ATOM 1375 N VAL B 89 15.337 7.508 -25.144 1.000 0.312 ATOM 1376 CA VAL B 89 14.862 6.558 -24.082 1.000 0.396 ATOM 1379 CB VAL B 89 13.640 5.782 -24.644 1.000 0.444 ATOM 1380 CG1 VAL B 89 13.341 4.552 -23.861 1.000 0.262 ATOM 1381 CG2 VAL B 89 12.452 6.817 -24.673 1.000 0.254 ATOM 1377 C VAL B 89 15.996 5.563 -23.813 1.000 0.247 ATOM 1378 O VAL B 89 16.188 5.164 -22.632 1.000 0.227 ATOM 1382 N ASP B 90 16.782 5.110 -24.784 1.000 0.288 ATOM 1383 CA ASP B 90 17.862 4.135 -24.347 1.000 0.282 ATOM 1386 CB ASP B 90 18.591 3.677 -25.663 1.000 0.364 ATOM 1387 CG ASP B 90 17.683 2.822 -26.504 1.000 0.640 ATOM 1388 OD1 ASP B 90 16.751 2.193 -25.949 1.000 0.581 ATOM 1389 OD2 ASP B 90 17.874 2.781 -27.740 1.000 0.445 ATOM 1384 C ASP B 90 18.896 4.862 -23.512 1.000 0.251 ATOM 1385 O ASP B 90 19.350 4.198 -22.532 1.000 0.255 ATOM 1390 N ASP B 91 19.305 6.108 -23.760 1.000 0.241 ATOM 1391 CA ASP B 91 20.351 6.675 -22.814 1.000 0.191 ATOM 1394 CB ASP B 91 20.632 8.147 -23.308 1.000 0.242 ATOM 1395 CG ASP B 91 21.285 8.116 -24.662 1.000 0.297 ATOM 1396 OD1 ASP B 91 21.901 7.114 -24.978 1.000 0.370 ATOM 1397 OD2 ASP B 91 21.187 9.071 -25.406 1.000 0.235 ATOM 1392 C ASP B 91 19.765 6.811 -21.399 1.000 0.221 ATOM 1393 O ASP B 91 20.527 6.573 -20.408 1.000 0.309 ATOM 1398 N ILE B 92 18.499 7.208 -21.193 1.000 0.252 ATOM 1399 CA ILE B 92 17.981 7.309 -19.825 1.000 0.234 ATOM 1402 CB ILE B 92 16.446 7.746 -19.893 1.000 0.307 ATOM 1403 CG1 ILE B 92 16.356 9.183 -20.351 1.000 0.379 ATOM 1404 CG2 ILE B 92 15.970 7.685 -18.395 1.000 0.299 ATOM 1405 CD1 ILE B 92 14.892 9.729 -20.672 1.000 0.305 ATOM 1400 C ILE B 92 17.936 5.934 -19.131 1.000 0.143 ATOM 1401 O ILE B 92 18.223 5.812 -17.951 1.000 0.224 ATOM 1406 N ILE B 93 17.594 4.890 -19.910 1.000 0.160 ATOM 1407 CA ILE B 93 17.554 3.553 -19.185 1.000 0.151 ATOM 1410 CB ILE B 93 16.940 2.490 -20.106 1.000 0.349 ATOM 1411 CG1 ILE B 93 15.385 2.517 -19.923 1.000 0.348 ATOM 1412 CG2 ILE B 93 17.383 1.066 -19.706 1.000 0.291 ATOM 1413 CD1 ILE B 93 14.532 2.107 -21.061 1.000 0.222 ATOM 1408 C ILE B 93 19.021 3.213 -18.876 1.000 0.386 ATOM 1409 O ILE B 93 19.252 2.669 -17.821 1.000 0.320 ATOM 1414 N ALA B 94 19.966 3.618 -19.739 1.000 0.308 ATOM 1415 CA ALA B 94 21.387 3.290 -19.452 1.000 0.255 ATOM 1418 CB ALA B 94 22.286 3.501 -20.642 1.000 0.223 ATOM 1416 C ALA B 94 21.833 3.923 -18.202 1.000 0.330 ATOM 1417 O ALA B 94 22.514 3.354 -17.338 1.000 0.274 ATOM 1419 N TYR B 95 21.333 5.168 -18.129 1.000 0.243 ATOM 1420 CA TYR B 95 21.692 5.910 -16.876 1.000 0.197 ATOM 1423 CB TYR B 95 21.160 7.363 -17.090 1.000 0.327 ATOM 1424 CG TYR B 95 21.166 8.242 -15.862 1.000 0.198 ATOM 1425 CD1 TYR B 95 22.407 8.506 -15.255 1.000 0.394 ATOM 1426 CD2 TYR B 95 20.013 8.657 -15.251 1.000 0.323 ATOM 1427 CE1 TYR B 95 22.482 9.255 -14.125 1.000 0.368 ATOM 1428 CE2 TYR B 95 20.088 9.436 -14.131 1.000 0.290 ATOM 1429 CZ TYR B 95 21.313 9.744 -13.566 1.000 0.323 ATOM 1430 OH TYR B 95 21.410 10.500 -12.412 1.000 0.433 ATOM 1421 C TYR B 95 20.947 5.299 -15.694 1.000 0.279 ATOM 1422 O TYR B 95 21.519 5.146 -14.599 1.000 0.247 ATOM 1431 N LEU B 96 19.665 4.924 -15.781 1.000 0.261 ATOM 1432 CA LEU B 96 19.042 4.360 -14.557 1.000 0.252 ATOM 1435 CB LEU B 96 17.581 3.954 -14.892 1.000 0.292 ATOM 1436 CG LEU B 96 16.727 5.175 -15.343 1.000 0.335 ATOM 1437 CD1 LEU B 96 15.244 4.623 -15.543 1.000 0.352 ATOM 1438 CD2 LEU B 96 16.715 6.054 -14.118 1.000 0.326 ATOM 1433 C LEU B 96 19.804 3.034 -14.185 1.000 0.325 ATOM 1434 O LEU B 96 19.875 2.737 -12.995 1.000 0.291 ATOM 1439 N LYS B 97 20.316 2.270 -15.129 1.000 0.271 ATOM 1440 CA LYS B 97 21.063 1.002 -14.800 1.000 0.418 ATOM 1443 CB LYS B 97 21.624 0.426 -16.139 1.000 0.208 ATOM 1444 CG LYS B 97 20.604 -0.543 -16.791 1.000 0.463 ATOM 1445 CD LYS B 97 21.433 -1.349 -17.855 1.000 0.546 ATOM 1446 CE LYS B 97 20.750 -2.000 -18.988 1.000 0.432 ATOM 1441 C LYS B 97 22.237 1.349 -13.932 1.000 0.350 ATOM 1442 O LYS B 97 22.721 0.674 -13.005 1.000 0.381 ATOM 1448 N THR B 98 22.793 2.547 -14.189 1.000 0.310 ATOM 1449 CA THR B 98 23.938 2.800 -13.273 1.000 0.299 ATOM 1452 CB THR B 98 24.786 3.981 -13.742 1.000 0.294 ATOM 1454 CG2 THR B 98 23.957 5.234 -13.643 1.000 0.322 ATOM 1453 OG1 THR B 98 25.155 3.771 -15.144 1.000 0.334 ATOM 1450 C THR B 98 23.419 3.106 -11.865 1.000 0.613 ATOM 1451 O THR B 98 24.319 3.263 -11.028 1.000 0.411 ATOM 1455 N LYS B 99 22.132 3.160 -11.544 1.000 0.594 ATOM 1456 CA LYS B 99 21.655 3.427 -10.176 1.000 0.517 ATOM 1459 CB LYS B 99 20.911 4.796 -10.190 1.000 0.540 ATOM 1460 CG LYS B 99 22.020 5.804 -10.334 1.000 0.473 ATOM 1461 CD LYS B 99 21.834 7.272 -10.280 1.000 0.417 ATOM 1462 CE LYS B 99 23.221 7.796 -9.818 1.000 0.423 ATOM 1463 NZ LYS B 99 22.981 8.999 -8.990 1.000 0.609 ATOM 1457 C LYS B 99 20.773 2.359 -9.621 1.000 0.457 ATOM 1458 O LYS B 99 20.569 1.982 -8.459 1.000 0.613 ATOM 1464 FE HEM B 101 8.024 9.047 -13.001 1.000 0.275 ATOM 1465 CAA HEM B 101 7.680 3.627 -11.542 1.000 0.160 ATOM 1466 CBA HEM B 101 8.275 3.511 -10.156 1.000 0.186 ATOM 1467 CGA HEM B 101 8.171 2.081 -9.618 1.000 0.264 ATOM 1468 O1A HEM B 101 7.251 1.303 -9.901 1.000 0.317 ATOM 1469 O2A HEM B 101 8.792 1.867 -8.537 1.000 0.244 ATOM 1470 CAD HEM B 101 4.124 7.021 -9.442 1.000 0.232 ATOM 1471 CBD HEM B 101 3.116 6.539 -10.424 1.000 0.259 ATOM 1472 CGD HEM B 101 1.800 5.933 -9.929 1.000 0.325 ATOM 1473 O1D HEM B 101 1.001 5.473 -10.808 1.000 0.315 ATOM 1474 O2D HEM B 101 1.849 5.467 -8.796 1.000 0.227 ATOM 1475 CHA HEM B 101 6.498 6.356 -11.369 1.000 0.310 ATOM 1476 CHB HEM B 101 10.395 6.948 -14.176 1.000 0.170 ATOM 1477 CHC HEM B 101 9.127 11.493 -15.072 1.000 0.269 ATOM 1478 CHD HEM B 101 6.082 11.197 -11.388 1.000 0.242 ATOM 1479 NA HEM B 101 8.397 6.958 -12.758 1.000 0.205 ATOM 1480 C1A HEM B 101 7.639 6.056 -12.094 1.000 0.366 ATOM 1481 C2A HEM B 101 8.321 4.816 -12.196 1.000 0.160 ATOM 1482 C3A HEM B 101 9.379 4.999 -12.975 1.000 0.243 ATOM 1483 C4A HEM B 101 9.408 6.367 -13.414 1.000 0.285 ATOM 1484 CMA HEM B 101 10.300 3.894 -13.457 1.000 0.300 ATOM 1485 NB HEM B 101 9.466 9.145 -14.518 1.000 0.298 ATOM 1486 C1B HEM B 101 10.604 8.319 -14.490 1.000 0.300 ATOM 1487 C2B HEM B 101 11.250 8.699 -15.677 1.000 0.393 ATOM 1488 C3B HEM B 101 10.879 10.016 -15.994 1.000 0.179 ATOM 1489 C4B HEM B 101 9.925 10.376 -15.070 1.000 0.408 ATOM 1490 CMB HEM B 101 12.696 8.227 -16.026 1.000 0.267 ATOM 1491 CAB HEM B 101 11.579 10.907 -16.797 1.000 0.210 ATOM 1492 CBB HEM B 101 11.716 10.603 -18.191 1.000 0.186 ATOM 1493 NC HEM B 101 7.555 11.119 -13.238 1.000 0.244 ATOM 1494 C1C HEM B 101 8.234 11.942 -14.109 1.000 0.318 ATOM 1495 C2C HEM B 101 7.663 13.203 -13.928 1.000 0.322 ATOM 1496 C3C HEM B 101 6.869 13.198 -12.765 1.000 0.234 ATOM 1497 C4C HEM B 101 6.865 11.831 -12.333 1.000 0.354 ATOM 1498 CMC HEM B 101 8.073 14.497 -14.615 1.000 0.321 ATOM 1499 CAC HEM B 101 6.249 14.369 -12.281 1.000 1.044 ATOM 1500 CBC HEM B 101 5.120 15.028 -12.786 1.000 0.325 ATOM 1501 ND HEM B 101 6.469 8.786 -11.643 1.000 0.213 ATOM 1502 C1D HEM B 101 5.872 9.872 -11.051 1.000 0.205 ATOM 1503 C2D HEM B 101 4.932 9.377 -10.192 1.000 0.261 ATOM 1504 C3D HEM B 101 4.999 8.011 -10.235 1.000 0.226 ATOM 1505 C4D HEM B 101 5.984 7.624 -11.094 1.000 0.262 ATOM 1506 CMD HEM B 101 3.936 10.254 -9.422 1.000 0.232 ATOM 2253 O HOH W 2 8.530 -0.438 -6.952 1.000 0.359 ATOM 2254 O HOH W 3 2.068 -4.014 -20.426 1.000 0.577 ATOM 2255 O HOH W 4 24.737 1.654 -18.331 1.000 0.466 ATOM 2256 O HOH W 5 11.670 10.952 -5.556 1.000 0.324 ATOM 2257 O HOH W 6 3.167 13.013 -11.820 1.000 0.293 ATOM 2258 O HOH W 7 11.743 8.471 0.919 1.000 0.530 ATOM 2259 O HOH W 9 19.475 18.086 -20.206 1.000 0.490 ATOM 2260 O HOH W 14 3.875 8.750 -0.859 1.000 0.482 ATOM 2261 O HOH W 15 22.493 12.386 -28.873 1.000 0.559 ATOM 2262 O HOH W 16 -3.330 1.162 -22.907 1.000 0.433 ATOM 2263 O HOH W 17 26.952 4.247 -21.488 1.000 0.458 ATOM 2264 O HOH W 18 19.689 11.600 -6.276 1.000 0.439 ATOM 2265 O HOH W 19 9.559 15.866 -6.233 1.000 0.440 ATOM 2266 O HOH W 20 -3.180 -1.563 -14.253 1.000 0.486 ATOM 2267 O HOH W 21 14.719 14.405 -21.658 1.000 0.398 ATOM 2268 O HOH W 25 18.525 -0.452 -4.064 1.000 0.525 ATOM 2269 O HOH W 36 20.985 17.852 -15.702 1.000 0.718 ATOM 2270 O HOH W 37 5.385 1.512 -1.587 1.000 0.296 ATOM 2271 O HOH W 38 26.635 8.408 -16.297 1.000 0.439 ATOM 2272 O HOH W 41 7.219 6.910 3.092 1.000 0.581 ATOM 2273 O HOH W 43 19.710 12.469 -27.623 1.000 0.504 ATOM 2274 O HOH W 45 6.473 -7.169 -16.900 1.000 0.413 ATOM 2275 O HOH W 46 28.935 6.325 -20.131 1.000 0.434 ATOM 2276 O HOH W 47 13.703 -6.666 -21.455 1.000 0.388 ATOM 2277 O HOH W 48 13.661 15.287 -7.389 1.000 0.400 ATOM 2278 O HOH W 50 14.562 -2.471 -6.392 1.000 0.656 ATOM 2279 O HOH W 52 10.263 6.637 -27.795 1.000 0.484 ATOM 2280 O HOH W 53 2.571 -6.962 -19.691 1.000 0.506 ATOM 2281 O HOH W 62 14.452 7.977 0.972 1.000 0.488 ATOM 2282 O HOH W 63 -5.034 5.006 -6.910 1.000 0.574 ATOM 2283 O HOH W 67 30.139 14.306 -16.287 1.000 0.718 ATOM 2284 O HOH W 72 5.280 16.723 -16.432 1.000 0.684 ATOM 2285 O HOH W 77 14.605 2.904 -27.281 1.000 0.583 ATOM 2286 O HOH W 81 9.180 -8.918 -17.595 1.000 0.564