USER MOD reduce.3.24.130724 H: found=0, std=0, add=581, rem=0, adj=21 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 53 LYS NZ :NH3+ -120:sc=-0.000581 (180deg=-0.0185) USER MOD Set 1.2: B 54 LYS NZ :NH3+ -149:sc= 0 (180deg=0) USER MOD Set 2.1: B 25 ASN : amide:sc= 0.483 K(o=0.39,f=-4.9!) USER MOD Set 2.2: B 27 ASN :FLIP amide:sc= -0.0937 F(o=-1.6,f=0.39) USER MOD Set 3.1: B 26 THR OG1 : rot -65:sc= 0.989 USER MOD Set 3.2: B 68 TYR OH : rot 180:sc= 0 USER MOD Single : B 6 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 8 SER OG : rot 180:sc= 0.142 USER MOD Single : B 15 MET CE :methyl 170:sc= -0.319 (180deg=-0.485) USER MOD Single : B 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 21 HIS :FLIP no HD1:sc= -1.96 F(o=-3.7,f=-2) USER MOD Single : B 22 SER OG : rot 180:sc= 0 USER MOD Single : B 23 SER OG : rot -150:sc= -0.0807 USER MOD Single : B 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 34 SER OG : rot 86:sc= 0.593 USER MOD Single : B 35 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00919) USER MOD Single : B 36 THR OG1 : rot 180:sc= -0.0475 USER MOD Single : B 37 SER OG : rot 178:sc= 0.136 USER MOD Single : B 38 THR OG1 : rot 180:sc= 0.00484 USER MOD Single : B 40 SER OG : rot 180:sc= 0 USER MOD Single : B 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 43 THR OG1 : rot -170:sc= 0.0449 USER MOD Single : B 45 GLN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : B 46 THR OG1 : rot 180:sc= 0 USER MOD Single : B 47 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 58 ASN : amide:sc= -0.0344 X(o=-0.034,f=0) USER MOD Single : B 59 HIS : no HE2:sc= -0.478 K(o=-0.48,f=-2.2) USER MOD Single : B 60 HIS : no HD1:sc= 0 X(o=0,f=-0.037) USER MOD Single : B 61 LYS NZ :NH3+ 159:sc= 0.454 (180deg=0.257) USER MOD Single : B 69 THR OG1 : rot -48:sc= 0.837 USER MOD Single : B 71 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 851 N PRO B 5 6.284 9.061 -1.409 1.00 0.00 N ATOM 852 CA PRO B 5 6.800 7.735 -1.739 1.00 0.00 C ATOM 853 C PRO B 5 7.118 7.624 -3.231 1.00 0.00 C ATOM 854 O PRO B 5 6.391 8.176 -4.056 1.00 0.00 O ATOM 855 CB PRO B 5 5.723 6.728 -1.308 1.00 0.00 C ATOM 856 CG PRO B 5 4.935 7.505 -0.258 1.00 0.00 C ATOM 857 CD PRO B 5 4.985 8.939 -0.770 1.00 0.00 C ATOM 0 HA PRO B 5 7.737 7.536 -1.220 1.00 0.00 H new ATOM 0 HB2 PRO B 5 5.093 6.426 -2.145 1.00 0.00 H new ATOM 0 HB3 PRO B 5 6.161 5.819 -0.895 1.00 0.00 H new ATOM 0 HG2 PRO B 5 3.910 7.143 -0.175 1.00 0.00 H new ATOM 0 HG3 PRO B 5 5.385 7.415 0.731 1.00 0.00 H new ATOM 0 HD2 PRO B 5 4.177 9.135 -1.475 1.00 0.00 H new ATOM 0 HD3 PRO B 5 4.877 9.654 0.046 1.00 0.00 H new ATOM 865 N GLN B 6 8.211 6.926 -3.570 1.00 0.00 N ATOM 866 CA GLN B 6 8.645 6.745 -4.948 1.00 0.00 C ATOM 867 C GLN B 6 7.785 5.668 -5.610 1.00 0.00 C ATOM 868 O GLN B 6 8.227 4.534 -5.791 1.00 0.00 O ATOM 869 CB GLN B 6 10.147 6.425 -4.978 1.00 0.00 C ATOM 870 CG GLN B 6 10.711 6.451 -6.404 1.00 0.00 C ATOM 871 CD GLN B 6 12.205 6.133 -6.414 1.00 0.00 C ATOM 872 OE1 GLN B 6 13.028 7.009 -6.671 1.00 0.00 O ATOM 873 NE2 GLN B 6 12.556 4.874 -6.137 1.00 0.00 N ATOM 0 H GLN B 6 8.817 6.472 -2.887 1.00 0.00 H new ATOM 0 HA GLN B 6 8.509 7.661 -5.522 1.00 0.00 H new ATOM 0 HB2 GLN B 6 10.684 7.147 -4.362 1.00 0.00 H new ATOM 0 HB3 GLN B 6 10.317 5.442 -4.539 1.00 0.00 H new ATOM 0 HG2 GLN B 6 10.179 5.728 -7.022 1.00 0.00 H new ATOM 0 HG3 GLN B 6 10.543 7.433 -6.846 1.00 0.00 H new ATOM 0 HE21 GLN B 6 11.839 4.179 -5.929 1.00 0.00 H new ATOM 0 HE22 GLN B 6 13.541 4.608 -6.133 1.00 0.00 H new ATOM 882 N ILE B 7 6.550 6.039 -5.975 1.00 0.00 N ATOM 883 CA ILE B 7 5.591 5.144 -6.603 1.00 0.00 C ATOM 884 C ILE B 7 5.885 5.031 -8.097 1.00 0.00 C ATOM 885 O ILE B 7 6.148 6.025 -8.772 1.00 0.00 O ATOM 886 CB ILE B 7 4.144 5.622 -6.358 1.00 0.00 C ATOM 887 CG1 ILE B 7 3.804 5.554 -4.859 1.00 0.00 C ATOM 888 CG2 ILE B 7 3.150 4.779 -7.177 1.00 0.00 C ATOM 889 CD1 ILE B 7 2.373 5.984 -4.523 1.00 0.00 C ATOM 0 H ILE B 7 6.192 6.984 -5.837 1.00 0.00 H new ATOM 0 HA ILE B 7 5.690 4.156 -6.153 1.00 0.00 H new ATOM 0 HB ILE B 7 4.063 6.659 -6.684 1.00 0.00 H new ATOM 0 HG12 ILE B 7 3.957 4.533 -4.508 1.00 0.00 H new ATOM 0 HG13 ILE B 7 4.501 6.187 -4.310 1.00 0.00 H new ATOM 0 HG21 ILE B 7 2.135 5.131 -6.991 1.00 0.00 H new ATOM 0 HG22 ILE B 7 3.379 4.876 -8.238 1.00 0.00 H new ATOM 0 HG23 ILE B 7 3.231 3.733 -6.882 1.00 0.00 H new ATOM 0 HD11 ILE B 7 2.213 5.908 -3.447 1.00 0.00 H new ATOM 0 HD12 ILE B 7 2.219 7.015 -4.840 1.00 0.00 H new ATOM 0 HD13 ILE B 7 1.667 5.336 -5.042 1.00 0.00 H new ATOM 901 N SER B 8 5.819 3.789 -8.587 1.00 0.00 N ATOM 902 CA SER B 8 5.995 3.402 -9.973 1.00 0.00 C ATOM 903 C SER B 8 4.830 2.460 -10.276 1.00 0.00 C ATOM 904 O SER B 8 3.695 2.760 -9.907 1.00 0.00 O ATOM 905 CB SER B 8 7.386 2.772 -10.141 1.00 0.00 C ATOM 906 OG SER B 8 7.645 2.478 -11.497 1.00 0.00 O ATOM 0 H SER B 8 5.630 2.988 -7.985 1.00 0.00 H new ATOM 0 HA SER B 8 5.971 4.231 -10.681 1.00 0.00 H new ATOM 0 HB2 SER B 8 8.147 3.454 -9.761 1.00 0.00 H new ATOM 0 HB3 SER B 8 7.451 1.860 -9.548 1.00 0.00 H new ATOM 0 HG SER B 8 8.536 2.079 -11.581 1.00 0.00 H new ATOM 912 N ASP B 9 5.092 1.330 -10.936 1.00 0.00 N ATOM 913 CA ASP B 9 4.075 0.330 -11.213 1.00 0.00 C ATOM 914 C ASP B 9 3.924 -0.543 -9.969 1.00 0.00 C ATOM 915 O ASP B 9 2.833 -0.640 -9.415 1.00 0.00 O ATOM 916 CB ASP B 9 4.475 -0.501 -12.438 1.00 0.00 C ATOM 917 CG ASP B 9 3.456 -1.607 -12.715 1.00 0.00 C ATOM 918 OD1 ASP B 9 2.410 -1.281 -13.317 1.00 0.00 O ATOM 919 OD2 ASP B 9 3.736 -2.757 -12.311 1.00 0.00 O ATOM 0 H ASP B 9 6.017 1.088 -11.291 1.00 0.00 H new ATOM 0 HA ASP B 9 3.119 0.802 -11.442 1.00 0.00 H new ATOM 0 HB2 ASP B 9 4.556 0.148 -13.310 1.00 0.00 H new ATOM 0 HB3 ASP B 9 5.459 -0.942 -12.276 1.00 0.00 H new ATOM 924 N ALA B 10 5.036 -1.147 -9.530 1.00 0.00 N ATOM 925 CA ALA B 10 5.116 -2.055 -8.396 1.00 0.00 C ATOM 926 C ALA B 10 4.439 -1.550 -7.124 1.00 0.00 C ATOM 927 O ALA B 10 3.745 -2.323 -6.465 1.00 0.00 O ATOM 928 CB ALA B 10 6.584 -2.401 -8.128 1.00 0.00 C ATOM 0 H ALA B 10 5.940 -1.005 -9.981 1.00 0.00 H new ATOM 0 HA ALA B 10 4.554 -2.946 -8.675 1.00 0.00 H new ATOM 0 HB1 ALA B 10 6.648 -3.081 -7.279 1.00 0.00 H new ATOM 0 HB2 ALA B 10 7.012 -2.879 -9.009 1.00 0.00 H new ATOM 0 HB3 ALA B 10 7.138 -1.489 -7.905 1.00 0.00 H new ATOM 934 N GLU B 11 4.636 -0.275 -6.767 1.00 0.00 N ATOM 935 CA GLU B 11 4.029 0.278 -5.564 1.00 0.00 C ATOM 936 C GLU B 11 2.538 0.469 -5.804 1.00 0.00 C ATOM 937 O GLU B 11 1.724 0.047 -4.988 1.00 0.00 O ATOM 938 CB GLU B 11 4.711 1.592 -5.146 1.00 0.00 C ATOM 939 CG GLU B 11 4.769 1.719 -3.615 1.00 0.00 C ATOM 940 CD GLU B 11 5.574 2.930 -3.133 1.00 0.00 C ATOM 941 OE1 GLU B 11 6.588 3.253 -3.786 1.00 0.00 O ATOM 942 OE2 GLU B 11 5.165 3.511 -2.105 1.00 0.00 O ATOM 0 H GLU B 11 5.208 0.384 -7.294 1.00 0.00 H new ATOM 0 HA GLU B 11 4.168 -0.419 -4.737 1.00 0.00 H new ATOM 0 HB2 GLU B 11 5.720 1.629 -5.556 1.00 0.00 H new ATOM 0 HB3 GLU B 11 4.166 2.438 -5.564 1.00 0.00 H new ATOM 0 HG2 GLU B 11 3.753 1.789 -3.225 1.00 0.00 H new ATOM 0 HG3 GLU B 11 5.208 0.812 -3.199 1.00 0.00 H new ATOM 949 N LEU B 12 2.189 1.072 -6.947 1.00 0.00 N ATOM 950 CA LEU B 12 0.816 1.345 -7.330 1.00 0.00 C ATOM 951 C LEU B 12 -0.012 0.058 -7.399 1.00 0.00 C ATOM 952 O LEU B 12 -1.187 0.095 -7.045 1.00 0.00 O ATOM 953 CB LEU B 12 0.815 2.142 -8.647 1.00 0.00 C ATOM 954 CG LEU B 12 -0.528 2.704 -9.152 1.00 0.00 C ATOM 955 CD1 LEU B 12 -1.353 1.691 -9.957 1.00 0.00 C ATOM 956 CD2 LEU B 12 -1.355 3.350 -8.035 1.00 0.00 C ATOM 0 H LEU B 12 2.871 1.386 -7.637 1.00 0.00 H new ATOM 0 HA LEU B 12 0.332 1.956 -6.568 1.00 0.00 H new ATOM 0 HB2 LEU B 12 1.505 2.978 -8.532 1.00 0.00 H new ATOM 0 HB3 LEU B 12 1.222 1.498 -9.427 1.00 0.00 H new ATOM 0 HG LEU B 12 -0.258 3.496 -9.850 1.00 0.00 H new ATOM 0 HD11 LEU B 12 -2.285 2.155 -10.280 1.00 0.00 H new ATOM 0 HD12 LEU B 12 -0.785 1.371 -10.831 1.00 0.00 H new ATOM 0 HD13 LEU B 12 -1.576 0.826 -9.333 1.00 0.00 H new ATOM 0 HD21 LEU B 12 -2.290 3.729 -8.447 1.00 0.00 H new ATOM 0 HD22 LEU B 12 -1.571 2.608 -7.267 1.00 0.00 H new ATOM 0 HD23 LEU B 12 -0.792 4.174 -7.596 1.00 0.00 H new ATOM 968 N GLU B 13 0.571 -1.075 -7.826 1.00 0.00 N ATOM 969 CA GLU B 13 -0.138 -2.353 -7.858 1.00 0.00 C ATOM 970 C GLU B 13 -0.683 -2.669 -6.467 1.00 0.00 C ATOM 971 O GLU B 13 -1.845 -3.041 -6.320 1.00 0.00 O ATOM 972 CB GLU B 13 0.821 -3.478 -8.263 1.00 0.00 C ATOM 973 CG GLU B 13 1.159 -3.469 -9.758 1.00 0.00 C ATOM 974 CD GLU B 13 0.021 -4.036 -10.602 1.00 0.00 C ATOM 975 OE1 GLU B 13 -0.110 -5.280 -10.617 1.00 0.00 O ATOM 976 OE2 GLU B 13 -0.697 -3.219 -11.218 1.00 0.00 O ATOM 0 H GLU B 13 1.536 -1.125 -8.154 1.00 0.00 H new ATOM 0 HA GLU B 13 -0.952 -2.281 -8.580 1.00 0.00 H new ATOM 0 HB2 GLU B 13 1.742 -3.387 -7.688 1.00 0.00 H new ATOM 0 HB3 GLU B 13 0.376 -4.438 -8.003 1.00 0.00 H new ATOM 0 HG2 GLU B 13 1.373 -2.449 -10.076 1.00 0.00 H new ATOM 0 HG3 GLU B 13 2.064 -4.052 -9.929 1.00 0.00 H new ATOM 983 N VAL B 14 0.179 -2.506 -5.456 1.00 0.00 N ATOM 984 CA VAL B 14 -0.145 -2.748 -4.065 1.00 0.00 C ATOM 985 C VAL B 14 -1.133 -1.706 -3.567 1.00 0.00 C ATOM 986 O VAL B 14 -2.255 -2.058 -3.216 1.00 0.00 O ATOM 987 CB VAL B 14 1.169 -2.786 -3.250 1.00 0.00 C ATOM 988 CG1 VAL B 14 1.124 -2.120 -1.864 1.00 0.00 C ATOM 989 CG2 VAL B 14 1.560 -4.256 -3.114 1.00 0.00 C ATOM 0 H VAL B 14 1.140 -2.195 -5.597 1.00 0.00 H new ATOM 0 HA VAL B 14 -0.638 -3.712 -3.942 1.00 0.00 H new ATOM 0 HB VAL B 14 1.902 -2.191 -3.795 1.00 0.00 H new ATOM 0 HG11 VAL B 14 2.100 -2.208 -1.386 1.00 0.00 H new ATOM 0 HG12 VAL B 14 0.868 -1.066 -1.975 1.00 0.00 H new ATOM 0 HG13 VAL B 14 0.372 -2.613 -1.248 1.00 0.00 H new ATOM 0 HG21 VAL B 14 2.486 -4.335 -2.544 1.00 0.00 H new ATOM 0 HG22 VAL B 14 0.768 -4.797 -2.597 1.00 0.00 H new ATOM 0 HG23 VAL B 14 1.706 -4.687 -4.105 1.00 0.00 H new ATOM 999 N MET B 15 -0.743 -0.431 -3.613 1.00 0.00 N ATOM 1000 CA MET B 15 -1.520 0.693 -3.130 1.00 0.00 C ATOM 1001 C MET B 15 -2.938 0.706 -3.684 1.00 0.00 C ATOM 1002 O MET B 15 -3.881 1.014 -2.960 1.00 0.00 O ATOM 1003 CB MET B 15 -0.768 1.961 -3.501 1.00 0.00 C ATOM 1004 CG MET B 15 0.596 2.018 -2.811 1.00 0.00 C ATOM 1005 SD MET B 15 0.501 2.461 -1.059 1.00 0.00 S ATOM 1006 CE MET B 15 1.808 3.706 -0.992 1.00 0.00 C ATOM 0 H MET B 15 0.157 -0.151 -4.003 1.00 0.00 H new ATOM 0 HA MET B 15 -1.634 0.616 -2.049 1.00 0.00 H new ATOM 0 HB2 MET B 15 -0.634 2.004 -4.582 1.00 0.00 H new ATOM 0 HB3 MET B 15 -1.358 2.833 -3.218 1.00 0.00 H new ATOM 0 HG2 MET B 15 1.083 1.048 -2.906 1.00 0.00 H new ATOM 0 HG3 MET B 15 1.225 2.743 -3.327 1.00 0.00 H new ATOM 0 HE1 MET B 15 1.775 4.217 -0.030 1.00 0.00 H new ATOM 0 HE2 MET B 15 2.777 3.223 -1.113 1.00 0.00 H new ATOM 0 HE3 MET B 15 1.662 4.431 -1.793 1.00 0.00 H new ATOM 1016 N LYS B 16 -3.069 0.359 -4.967 1.00 0.00 N ATOM 1017 CA LYS B 16 -4.326 0.256 -5.681 1.00 0.00 C ATOM 1018 C LYS B 16 -5.272 -0.685 -4.933 1.00 0.00 C ATOM 1019 O LYS B 16 -6.389 -0.281 -4.618 1.00 0.00 O ATOM 1020 CB LYS B 16 -4.057 -0.214 -7.116 1.00 0.00 C ATOM 1021 CG LYS B 16 -5.347 -0.310 -7.936 1.00 0.00 C ATOM 1022 CD LYS B 16 -5.028 -0.655 -9.394 1.00 0.00 C ATOM 1023 CE LYS B 16 -6.319 -0.764 -10.210 1.00 0.00 C ATOM 1024 NZ LYS B 16 -6.036 -1.090 -11.617 1.00 0.00 N ATOM 0 H LYS B 16 -2.264 0.135 -5.553 1.00 0.00 H new ATOM 0 HA LYS B 16 -4.812 1.230 -5.734 1.00 0.00 H new ATOM 0 HB2 LYS B 16 -3.369 0.478 -7.602 1.00 0.00 H new ATOM 0 HB3 LYS B 16 -3.568 -1.188 -7.094 1.00 0.00 H new ATOM 0 HG2 LYS B 16 -6.000 -1.071 -7.510 1.00 0.00 H new ATOM 0 HG3 LYS B 16 -5.887 0.636 -7.889 1.00 0.00 H new ATOM 0 HD2 LYS B 16 -4.382 0.111 -9.823 1.00 0.00 H new ATOM 0 HD3 LYS B 16 -4.480 -1.596 -9.440 1.00 0.00 H new ATOM 0 HE2 LYS B 16 -6.961 -1.532 -9.778 1.00 0.00 H new ATOM 0 HE3 LYS B 16 -6.867 0.177 -10.155 1.00 0.00 H new ATOM 0 HZ1 LYS B 16 -6.930 -1.157 -12.144 1.00 0.00 H new ATOM 0 HZ2 LYS B 16 -5.443 -0.344 -12.034 1.00 0.00 H new ATOM 0 HZ3 LYS B 16 -5.535 -2.000 -11.668 1.00 0.00 H new ATOM 1038 N VAL B 17 -4.822 -1.913 -4.626 1.00 0.00 N ATOM 1039 CA VAL B 17 -5.593 -2.908 -3.906 1.00 0.00 C ATOM 1040 C VAL B 17 -5.912 -2.407 -2.498 1.00 0.00 C ATOM 1041 O VAL B 17 -7.059 -2.495 -2.063 1.00 0.00 O ATOM 1042 CB VAL B 17 -4.797 -4.225 -3.871 1.00 0.00 C ATOM 1043 CG1 VAL B 17 -5.391 -5.199 -2.856 1.00 0.00 C ATOM 1044 CG2 VAL B 17 -4.773 -4.897 -5.249 1.00 0.00 C ATOM 0 H VAL B 17 -3.889 -2.237 -4.883 1.00 0.00 H new ATOM 0 HA VAL B 17 -6.542 -3.087 -4.412 1.00 0.00 H new ATOM 0 HB VAL B 17 -3.778 -3.973 -3.577 1.00 0.00 H new ATOM 0 HG11 VAL B 17 -4.809 -6.121 -2.852 1.00 0.00 H new ATOM 0 HG12 VAL B 17 -5.366 -4.750 -1.863 1.00 0.00 H new ATOM 0 HG13 VAL B 17 -6.423 -5.423 -3.127 1.00 0.00 H new ATOM 0 HG21 VAL B 17 -4.203 -5.825 -5.192 1.00 0.00 H new ATOM 0 HG22 VAL B 17 -5.793 -5.116 -5.565 1.00 0.00 H new ATOM 0 HG23 VAL B 17 -4.306 -4.228 -5.972 1.00 0.00 H new ATOM 1054 N ILE B 18 -4.897 -1.892 -1.792 1.00 0.00 N ATOM 1055 CA ILE B 18 -5.041 -1.388 -0.435 1.00 0.00 C ATOM 1056 C ILE B 18 -6.101 -0.282 -0.368 1.00 0.00 C ATOM 1057 O ILE B 18 -6.907 -0.276 0.560 1.00 0.00 O ATOM 1058 CB ILE B 18 -3.676 -0.931 0.121 1.00 0.00 C ATOM 1059 CG1 ILE B 18 -2.651 -2.092 0.066 1.00 0.00 C ATOM 1060 CG2 ILE B 18 -3.864 -0.341 1.528 1.00 0.00 C ATOM 1061 CD1 ILE B 18 -1.498 -1.985 1.069 1.00 0.00 C ATOM 0 H ILE B 18 -3.948 -1.816 -2.157 1.00 0.00 H new ATOM 0 HA ILE B 18 -5.394 -2.198 0.203 1.00 0.00 H new ATOM 0 HB ILE B 18 -3.262 -0.138 -0.502 1.00 0.00 H new ATOM 0 HG12 ILE B 18 -3.178 -3.030 0.239 1.00 0.00 H new ATOM 0 HG13 ILE B 18 -2.234 -2.142 -0.940 1.00 0.00 H new ATOM 0 HG21 ILE B 18 -2.899 -0.019 1.919 1.00 0.00 H new ATOM 0 HG22 ILE B 18 -4.539 0.514 1.477 1.00 0.00 H new ATOM 0 HG23 ILE B 18 -4.288 -1.099 2.187 1.00 0.00 H new ATOM 0 HD11 ILE B 18 -0.835 -2.842 0.954 1.00 0.00 H new ATOM 0 HD12 ILE B 18 -0.940 -1.067 0.885 1.00 0.00 H new ATOM 0 HD13 ILE B 18 -1.898 -1.970 2.083 1.00 0.00 H new ATOM 1073 N TRP B 19 -6.115 0.634 -1.347 1.00 0.00 N ATOM 1074 CA TRP B 19 -7.063 1.738 -1.393 1.00 0.00 C ATOM 1075 C TRP B 19 -8.511 1.287 -1.624 1.00 0.00 C ATOM 1076 O TRP B 19 -9.421 2.047 -1.296 1.00 0.00 O ATOM 1077 CB TRP B 19 -6.595 2.825 -2.379 1.00 0.00 C ATOM 1078 CG TRP B 19 -5.439 3.677 -1.919 1.00 0.00 C ATOM 1079 CD1 TRP B 19 -5.297 4.185 -0.672 1.00 0.00 C ATOM 1080 CD2 TRP B 19 -4.287 4.180 -2.671 1.00 0.00 C ATOM 1081 NE1 TRP B 19 -4.131 4.910 -0.578 1.00 0.00 N ATOM 1082 CE2 TRP B 19 -3.462 4.931 -1.780 1.00 0.00 C ATOM 1083 CE3 TRP B 19 -3.854 4.097 -4.014 1.00 0.00 C ATOM 1084 CZ2 TRP B 19 -2.257 5.523 -2.180 1.00 0.00 C ATOM 1085 CZ3 TRP B 19 -2.650 4.702 -4.432 1.00 0.00 C ATOM 1086 CH2 TRP B 19 -1.830 5.373 -3.506 1.00 0.00 C ATOM 0 H TRP B 19 -5.462 0.623 -2.130 1.00 0.00 H new ATOM 0 HA TRP B 19 -7.077 2.191 -0.402 1.00 0.00 H new ATOM 0 HB2 TRP B 19 -6.316 2.343 -3.316 1.00 0.00 H new ATOM 0 HB3 TRP B 19 -7.439 3.479 -2.597 1.00 0.00 H new ATOM 0 HD1 TRP B 19 -6.000 4.041 0.135 1.00 0.00 H new ATOM 0 HE1 TRP B 19 -3.805 5.371 0.271 1.00 0.00 H new ATOM 0 HE3 TRP B 19 -4.456 3.561 -4.733 1.00 0.00 H new ATOM 0 HZ2 TRP B 19 -1.665 6.088 -1.475 1.00 0.00 H new ATOM 0 HZ3 TRP B 19 -2.356 4.650 -5.470 1.00 0.00 H new ATOM 0 HH2 TRP B 19 -0.875 5.771 -3.816 1.00 0.00 H new ATOM 1097 N LYS B 20 -8.749 0.075 -2.152 1.00 0.00 N ATOM 1098 CA LYS B 20 -10.109 -0.435 -2.314 1.00 0.00 C ATOM 1099 C LYS B 20 -10.680 -0.707 -0.920 1.00 0.00 C ATOM 1100 O LYS B 20 -11.792 -0.289 -0.602 1.00 0.00 O ATOM 1101 CB LYS B 20 -10.152 -1.723 -3.149 1.00 0.00 C ATOM 1102 CG LYS B 20 -9.470 -1.633 -4.518 1.00 0.00 C ATOM 1103 CD LYS B 20 -9.957 -0.453 -5.366 1.00 0.00 C ATOM 1104 CE LYS B 20 -9.321 -0.507 -6.759 1.00 0.00 C ATOM 1105 NZ LYS B 20 -9.741 0.635 -7.587 1.00 0.00 N ATOM 0 H LYS B 20 -8.019 -0.562 -2.470 1.00 0.00 H new ATOM 0 HA LYS B 20 -10.700 0.310 -2.847 1.00 0.00 H new ATOM 0 HB2 LYS B 20 -9.682 -2.524 -2.578 1.00 0.00 H new ATOM 0 HB3 LYS B 20 -11.194 -2.007 -3.297 1.00 0.00 H new ATOM 0 HG2 LYS B 20 -8.393 -1.547 -4.374 1.00 0.00 H new ATOM 0 HG3 LYS B 20 -9.645 -2.560 -5.064 1.00 0.00 H new ATOM 0 HD2 LYS B 20 -11.043 -0.481 -5.452 1.00 0.00 H new ATOM 0 HD3 LYS B 20 -9.700 0.487 -4.877 1.00 0.00 H new ATOM 0 HE2 LYS B 20 -8.235 -0.510 -6.665 1.00 0.00 H new ATOM 0 HE3 LYS B 20 -9.601 -1.438 -7.252 1.00 0.00 H new ATOM 0 HZ1 LYS B 20 -9.293 0.568 -8.523 1.00 0.00 H new ATOM 0 HZ2 LYS B 20 -10.775 0.623 -7.696 1.00 0.00 H new ATOM 0 HZ3 LYS B 20 -9.452 1.522 -7.127 1.00 0.00 H new ATOM 1119 N HIS B 21 -9.886 -1.403 -0.095 1.00 0.00 N ATOM 1120 CA HIS B 21 -10.189 -1.765 1.282 1.00 0.00 C ATOM 1121 C HIS B 21 -10.093 -0.503 2.166 1.00 0.00 C ATOM 1122 O HIS B 21 -9.363 0.421 1.807 1.00 0.00 O ATOM 1123 CB HIS B 21 -9.188 -2.870 1.679 1.00 0.00 C ATOM 1124 CG HIS B 21 -9.610 -3.733 2.847 1.00 0.00 C ATOM 1125 ND1 HIS B 21 -10.338 -3.421 3.967 1.00 0.00 N flip ATOM 1126 CD2 HIS B 21 -9.270 -5.087 2.902 1.00 0.00 C flip ATOM 1127 CE1 HIS B 21 -10.438 -4.569 4.727 1.00 0.00 C flip ATOM 1128 NE2 HIS B 21 -9.790 -5.531 4.050 1.00 0.00 N flip ATOM 0 H HIS B 21 -8.971 -1.742 -0.392 1.00 0.00 H new ATOM 0 HA HIS B 21 -11.201 -2.150 1.410 1.00 0.00 H new ATOM 0 HB2 HIS B 21 -9.020 -3.513 0.815 1.00 0.00 H new ATOM 0 HB3 HIS B 21 -8.233 -2.403 1.919 1.00 0.00 H new ATOM 0 HD2 HIS B 21 -8.708 -5.653 2.174 1.00 0.00 H new ATOM 0 HE1 HIS B 21 -10.939 -4.673 5.678 1.00 0.00 H new ATOM 0 HE2 HIS B 21 -9.704 -6.494 4.376 1.00 0.00 H new ATOM 1136 N SER B 22 -10.831 -0.428 3.293 1.00 0.00 N ATOM 1137 CA SER B 22 -10.788 0.733 4.198 1.00 0.00 C ATOM 1138 C SER B 22 -9.335 0.913 4.644 1.00 0.00 C ATOM 1139 O SER B 22 -8.729 1.955 4.399 1.00 0.00 O ATOM 1140 CB SER B 22 -11.737 0.511 5.381 1.00 0.00 C ATOM 1141 OG SER B 22 -11.680 1.614 6.260 1.00 0.00 O ATOM 0 H SER B 22 -11.467 -1.165 3.597 1.00 0.00 H new ATOM 0 HA SER B 22 -11.123 1.642 3.698 1.00 0.00 H new ATOM 0 HB2 SER B 22 -12.756 0.376 5.020 1.00 0.00 H new ATOM 0 HB3 SER B 22 -11.463 -0.401 5.911 1.00 0.00 H new ATOM 0 HG SER B 22 -12.290 1.465 7.012 1.00 0.00 H new ATOM 1147 N SER B 23 -8.789 -0.138 5.262 1.00 0.00 N ATOM 1148 CA SER B 23 -7.364 -0.291 5.517 1.00 0.00 C ATOM 1149 C SER B 23 -7.095 -1.690 4.944 1.00 0.00 C ATOM 1150 O SER B 23 -7.868 -2.112 4.094 1.00 0.00 O ATOM 1151 CB SER B 23 -7.126 -0.193 7.027 1.00 0.00 C ATOM 1152 OG SER B 23 -7.978 -1.085 7.712 1.00 0.00 O ATOM 0 H SER B 23 -9.344 -0.922 5.605 1.00 0.00 H new ATOM 0 HA SER B 23 -6.708 0.459 5.075 1.00 0.00 H new ATOM 0 HB2 SER B 23 -6.086 -0.425 7.255 1.00 0.00 H new ATOM 0 HB3 SER B 23 -7.307 0.827 7.366 1.00 0.00 H new ATOM 0 HG SER B 23 -8.186 -0.723 8.598 1.00 0.00 H new ATOM 1158 N ILE B 24 -6.089 -2.465 5.364 1.00 0.00 N ATOM 1159 CA ILE B 24 -5.982 -3.849 4.886 1.00 0.00 C ATOM 1160 C ILE B 24 -5.314 -4.770 5.903 1.00 0.00 C ATOM 1161 O ILE B 24 -4.334 -4.358 6.513 1.00 0.00 O ATOM 1162 CB ILE B 24 -5.501 -3.954 3.427 1.00 0.00 C ATOM 1163 CG1 ILE B 24 -5.697 -5.376 2.882 1.00 0.00 C ATOM 1164 CG2 ILE B 24 -4.040 -3.529 3.315 1.00 0.00 C ATOM 1165 CD1 ILE B 24 -5.720 -5.394 1.350 1.00 0.00 C ATOM 0 H ILE B 24 -5.359 -2.171 6.013 1.00 0.00 H new ATOM 0 HA ILE B 24 -6.992 -4.253 4.820 1.00 0.00 H new ATOM 0 HB ILE B 24 -6.105 -3.278 2.821 1.00 0.00 H new ATOM 0 HG12 ILE B 24 -4.893 -6.018 3.242 1.00 0.00 H new ATOM 0 HG13 ILE B 24 -6.630 -5.788 3.265 1.00 0.00 H new ATOM 0 HG21 ILE B 24 -3.716 -3.609 2.277 1.00 0.00 H new ATOM 0 HG22 ILE B 24 -3.935 -2.497 3.649 1.00 0.00 H new ATOM 0 HG23 ILE B 24 -3.424 -4.177 3.938 1.00 0.00 H new ATOM 0 HD11 ILE B 24 -5.860 -6.417 1.000 1.00 0.00 H new ATOM 0 HD12 ILE B 24 -6.540 -4.772 0.991 1.00 0.00 H new ATOM 0 HD13 ILE B 24 -4.776 -5.006 0.967 1.00 0.00 H new ATOM 1177 N ASN B 25 -5.777 -6.018 6.048 1.00 0.00 N ATOM 1178 CA ASN B 25 -5.222 -7.034 6.895 1.00 0.00 C ATOM 1179 C ASN B 25 -4.485 -7.894 5.860 1.00 0.00 C ATOM 1180 O ASN B 25 -5.056 -8.266 4.836 1.00 0.00 O ATOM 1181 CB ASN B 25 -6.367 -7.674 7.714 1.00 0.00 C ATOM 1182 CG ASN B 25 -7.597 -8.142 6.928 1.00 0.00 C ATOM 1183 OD1 ASN B 25 -7.689 -7.993 5.712 1.00 0.00 O ATOM 1184 ND2 ASN B 25 -8.571 -8.707 7.646 1.00 0.00 N ATOM 0 H ASN B 25 -6.598 -6.346 5.539 1.00 0.00 H new ATOM 0 HA ASN B 25 -4.527 -6.748 7.685 1.00 0.00 H new ATOM 0 HB2 ASN B 25 -5.962 -8.530 8.254 1.00 0.00 H new ATOM 0 HB3 ASN B 25 -6.695 -6.952 8.462 1.00 0.00 H new ATOM 0 HD21 ASN B 25 -9.422 -9.029 7.186 1.00 0.00 H new ATOM 0 HD22 ASN B 25 -8.464 -8.816 8.654 1.00 0.00 H new ATOM 1191 N THR B 26 -3.201 -8.154 6.113 1.00 0.00 N ATOM 1192 CA THR B 26 -2.241 -8.833 5.251 1.00 0.00 C ATOM 1193 C THR B 26 -2.786 -10.064 4.536 1.00 0.00 C ATOM 1194 O THR B 26 -2.315 -10.364 3.443 1.00 0.00 O ATOM 1195 CB THR B 26 -0.996 -9.223 6.070 1.00 0.00 C ATOM 1196 OG1 THR B 26 -0.755 -8.271 7.071 1.00 0.00 O ATOM 1197 CG2 THR B 26 0.273 -9.340 5.221 1.00 0.00 C ATOM 0 H THR B 26 -2.776 -7.872 6.996 1.00 0.00 H new ATOM 0 HA THR B 26 -1.992 -8.119 4.466 1.00 0.00 H new ATOM 0 HB THR B 26 -1.216 -10.202 6.496 1.00 0.00 H new ATOM 0 HG1 THR B 26 -0.527 -7.412 6.658 1.00 0.00 H new ATOM 0 HG21 THR B 26 1.113 -9.617 5.858 1.00 0.00 H new ATOM 0 HG22 THR B 26 0.130 -10.104 4.456 1.00 0.00 H new ATOM 0 HG23 THR B 26 0.481 -8.383 4.743 1.00 0.00 H new ATOM 1205 N ASN B 27 -3.763 -10.784 5.104 1.00 0.00 N ATOM 1206 CA ASN B 27 -4.298 -11.929 4.381 1.00 0.00 C ATOM 1207 C ASN B 27 -4.933 -11.517 3.057 1.00 0.00 C ATOM 1208 O ASN B 27 -4.790 -12.228 2.068 1.00 0.00 O ATOM 1209 CB ASN B 27 -5.277 -12.732 5.221 1.00 0.00 C ATOM 1210 CG ASN B 27 -6.544 -11.984 5.632 1.00 0.00 C ATOM 1211 OD1 ASN B 27 -6.433 -11.079 6.606 1.00 0.00 O flip ATOM 1212 ND2 ASN B 27 -7.617 -12.245 5.094 1.00 0.00 N flip ATOM 0 H ASN B 27 -4.178 -10.602 6.018 1.00 0.00 H new ATOM 0 HA ASN B 27 -3.449 -12.576 4.159 1.00 0.00 H new ATOM 0 HB2 ASN B 27 -5.565 -13.623 4.663 1.00 0.00 H new ATOM 0 HB3 ASN B 27 -4.766 -13.071 6.122 1.00 0.00 H new ATOM 0 HD21 ASN B 27 -7.659 -12.944 4.352 1.00 0.00 H new ATOM 0 HD22 ASN B 27 -8.466 -11.763 5.389 1.00 0.00 H new ATOM 1219 N GLU B 28 -5.627 -10.375 3.038 1.00 0.00 N ATOM 1220 CA GLU B 28 -6.251 -9.838 1.847 1.00 0.00 C ATOM 1221 C GLU B 28 -5.202 -9.266 0.891 1.00 0.00 C ATOM 1222 O GLU B 28 -5.353 -9.429 -0.318 1.00 0.00 O ATOM 1223 CB GLU B 28 -7.286 -8.789 2.254 1.00 0.00 C ATOM 1224 CG GLU B 28 -8.415 -9.404 3.083 1.00 0.00 C ATOM 1225 CD GLU B 28 -9.247 -10.408 2.289 1.00 0.00 C ATOM 1226 OE1 GLU B 28 -10.068 -9.944 1.468 1.00 0.00 O ATOM 1227 OE2 GLU B 28 -9.046 -11.622 2.512 1.00 0.00 O ATOM 0 H GLU B 28 -5.767 -9.797 3.867 1.00 0.00 H new ATOM 0 HA GLU B 28 -6.761 -10.637 1.309 1.00 0.00 H new ATOM 0 HB2 GLU B 28 -6.800 -8.001 2.829 1.00 0.00 H new ATOM 0 HB3 GLU B 28 -7.702 -8.322 1.361 1.00 0.00 H new ATOM 0 HG2 GLU B 28 -7.991 -9.899 3.956 1.00 0.00 H new ATOM 0 HG3 GLU B 28 -9.065 -8.610 3.451 1.00 0.00 H new ATOM 1234 N VAL B 29 -4.144 -8.616 1.409 1.00 0.00 N ATOM 1235 CA VAL B 29 -3.093 -8.048 0.569 1.00 0.00 C ATOM 1236 C VAL B 29 -2.371 -9.188 -0.153 1.00 0.00 C ATOM 1237 O VAL B 29 -2.353 -9.211 -1.381 1.00 0.00 O ATOM 1238 CB VAL B 29 -2.194 -7.064 1.363 1.00 0.00 C ATOM 1239 CG1 VAL B 29 -0.875 -7.628 1.903 1.00 0.00 C ATOM 1240 CG2 VAL B 29 -1.810 -5.844 0.519 1.00 0.00 C ATOM 0 H VAL B 29 -4.001 -8.475 2.409 1.00 0.00 H new ATOM 0 HA VAL B 29 -3.514 -7.414 -0.212 1.00 0.00 H new ATOM 0 HB VAL B 29 -2.830 -6.817 2.213 1.00 0.00 H new ATOM 0 HG11 VAL B 29 -0.337 -6.846 2.438 1.00 0.00 H new ATOM 0 HG12 VAL B 29 -1.084 -8.455 2.582 1.00 0.00 H new ATOM 0 HG13 VAL B 29 -0.265 -7.985 1.073 1.00 0.00 H new ATOM 0 HG21 VAL B 29 -1.180 -5.177 1.108 1.00 0.00 H new ATOM 0 HG22 VAL B 29 -1.264 -6.171 -0.366 1.00 0.00 H new ATOM 0 HG23 VAL B 29 -2.712 -5.315 0.213 1.00 0.00 H new ATOM 1250 N ILE B 30 -1.836 -10.162 0.596 1.00 0.00 N ATOM 1251 CA ILE B 30 -1.167 -11.326 0.047 1.00 0.00 C ATOM 1252 C ILE B 30 -2.135 -12.116 -0.825 1.00 0.00 C ATOM 1253 O ILE B 30 -1.813 -12.381 -1.980 1.00 0.00 O ATOM 1254 CB ILE B 30 -0.538 -12.162 1.176 1.00 0.00 C ATOM 1255 CG1 ILE B 30 0.517 -11.273 1.860 1.00 0.00 C ATOM 1256 CG2 ILE B 30 0.077 -13.449 0.608 1.00 0.00 C ATOM 1257 CD1 ILE B 30 1.481 -12.009 2.793 1.00 0.00 C ATOM 0 H ILE B 30 -1.862 -10.153 1.616 1.00 0.00 H new ATOM 0 HA ILE B 30 -0.345 -11.016 -0.598 1.00 0.00 H new ATOM 0 HB ILE B 30 -1.286 -12.474 1.905 1.00 0.00 H new ATOM 0 HG12 ILE B 30 1.098 -10.767 1.089 1.00 0.00 H new ATOM 0 HG13 ILE B 30 0.003 -10.500 2.431 1.00 0.00 H new ATOM 0 HG21 ILE B 30 0.518 -14.030 1.418 1.00 0.00 H new ATOM 0 HG22 ILE B 30 -0.699 -14.038 0.120 1.00 0.00 H new ATOM 0 HG23 ILE B 30 0.849 -13.194 -0.118 1.00 0.00 H new ATOM 0 HD11 ILE B 30 2.184 -11.297 3.225 1.00 0.00 H new ATOM 0 HD12 ILE B 30 0.917 -12.492 3.591 1.00 0.00 H new ATOM 0 HD13 ILE B 30 2.029 -12.763 2.228 1.00 0.00 H new ATOM 1269 N LYS B 31 -3.312 -12.470 -0.293 1.00 0.00 N ATOM 1270 CA LYS B 31 -4.323 -13.209 -1.048 1.00 0.00 C ATOM 1271 C LYS B 31 -4.621 -12.588 -2.423 1.00 0.00 C ATOM 1272 O LYS B 31 -4.837 -13.331 -3.378 1.00 0.00 O ATOM 1273 CB LYS B 31 -5.609 -13.350 -0.218 1.00 0.00 C ATOM 1274 CG LYS B 31 -6.725 -14.157 -0.904 1.00 0.00 C ATOM 1275 CD LYS B 31 -6.324 -15.616 -1.156 1.00 0.00 C ATOM 1276 CE LYS B 31 -7.503 -16.405 -1.731 1.00 0.00 C ATOM 1277 NZ LYS B 31 -7.140 -17.812 -1.966 1.00 0.00 N ATOM 0 H LYS B 31 -3.586 -12.253 0.665 1.00 0.00 H new ATOM 0 HA LYS B 31 -3.912 -14.199 -1.245 1.00 0.00 H new ATOM 0 HB2 LYS B 31 -5.364 -13.827 0.731 1.00 0.00 H new ATOM 0 HB3 LYS B 31 -5.988 -12.355 0.014 1.00 0.00 H new ATOM 0 HG2 LYS B 31 -7.621 -14.132 -0.284 1.00 0.00 H new ATOM 0 HG3 LYS B 31 -6.980 -13.685 -1.853 1.00 0.00 H new ATOM 0 HD2 LYS B 31 -5.482 -15.654 -1.847 1.00 0.00 H new ATOM 0 HD3 LYS B 31 -5.992 -16.074 -0.224 1.00 0.00 H new ATOM 0 HE2 LYS B 31 -8.347 -16.355 -1.043 1.00 0.00 H new ATOM 0 HE3 LYS B 31 -7.827 -15.949 -2.667 1.00 0.00 H new ATOM 0 HZ1 LYS B 31 -7.959 -18.321 -2.356 1.00 0.00 H new ATOM 0 HZ2 LYS B 31 -6.350 -17.859 -2.641 1.00 0.00 H new ATOM 0 HZ3 LYS B 31 -6.854 -18.252 -1.068 1.00 0.00 H new ATOM 1291 N GLU B 32 -4.626 -11.252 -2.545 1.00 0.00 N ATOM 1292 CA GLU B 32 -4.907 -10.566 -3.797 1.00 0.00 C ATOM 1293 C GLU B 32 -3.664 -10.428 -4.680 1.00 0.00 C ATOM 1294 O GLU B 32 -3.668 -10.893 -5.819 1.00 0.00 O ATOM 1295 CB GLU B 32 -5.521 -9.197 -3.480 1.00 0.00 C ATOM 1296 CG GLU B 32 -5.965 -8.435 -4.730 1.00 0.00 C ATOM 1297 CD GLU B 32 -7.043 -9.175 -5.518 1.00 0.00 C ATOM 1298 OE1 GLU B 32 -8.197 -9.180 -5.037 1.00 0.00 O ATOM 1299 OE2 GLU B 32 -6.695 -9.724 -6.586 1.00 0.00 O ATOM 0 H GLU B 32 -4.433 -10.621 -1.767 1.00 0.00 H new ATOM 0 HA GLU B 32 -5.615 -11.164 -4.371 1.00 0.00 H new ATOM 0 HB2 GLU B 32 -6.379 -9.334 -2.821 1.00 0.00 H new ATOM 0 HB3 GLU B 32 -4.793 -8.596 -2.935 1.00 0.00 H new ATOM 0 HG2 GLU B 32 -6.342 -7.455 -4.438 1.00 0.00 H new ATOM 0 HG3 GLU B 32 -5.102 -8.266 -5.374 1.00 0.00 H new ATOM 1306 N LEU B 33 -2.613 -9.775 -4.165 1.00 0.00 N ATOM 1307 CA LEU B 33 -1.381 -9.520 -4.900 1.00 0.00 C ATOM 1308 C LEU B 33 -0.676 -10.793 -5.384 1.00 0.00 C ATOM 1309 O LEU B 33 -0.095 -10.772 -6.465 1.00 0.00 O ATOM 1310 CB LEU B 33 -0.425 -8.624 -4.094 1.00 0.00 C ATOM 1311 CG LEU B 33 -0.697 -7.106 -4.131 1.00 0.00 C ATOM 1312 CD1 LEU B 33 -0.883 -6.565 -5.555 1.00 0.00 C ATOM 1313 CD2 LEU B 33 -1.844 -6.641 -3.222 1.00 0.00 C ATOM 0 H LEU B 33 -2.601 -9.407 -3.214 1.00 0.00 H new ATOM 0 HA LEU B 33 -1.679 -8.985 -5.802 1.00 0.00 H new ATOM 0 HB2 LEU B 33 -0.451 -8.949 -3.054 1.00 0.00 H new ATOM 0 HB3 LEU B 33 0.589 -8.796 -4.456 1.00 0.00 H new ATOM 0 HG LEU B 33 0.215 -6.673 -3.720 1.00 0.00 H new ATOM 0 HD11 LEU B 33 -1.071 -5.492 -5.515 1.00 0.00 H new ATOM 0 HD12 LEU B 33 0.019 -6.754 -6.137 1.00 0.00 H new ATOM 0 HD13 LEU B 33 -1.730 -7.064 -6.026 1.00 0.00 H new ATOM 0 HD21 LEU B 33 -1.964 -5.561 -3.312 1.00 0.00 H new ATOM 0 HD22 LEU B 33 -2.768 -7.135 -3.521 1.00 0.00 H new ATOM 0 HD23 LEU B 33 -1.615 -6.896 -2.187 1.00 0.00 H new ATOM 1325 N SER B 34 -0.714 -11.893 -4.622 1.00 0.00 N ATOM 1326 CA SER B 34 -0.062 -13.140 -5.019 1.00 0.00 C ATOM 1327 C SER B 34 -0.691 -13.760 -6.268 1.00 0.00 C ATOM 1328 O SER B 34 0.008 -14.400 -7.051 1.00 0.00 O ATOM 1329 CB SER B 34 -0.080 -14.153 -3.870 1.00 0.00 C ATOM 1330 OG SER B 34 0.618 -13.648 -2.755 1.00 0.00 O ATOM 0 H SER B 34 -1.193 -11.941 -3.723 1.00 0.00 H new ATOM 0 HA SER B 34 0.970 -12.886 -5.263 1.00 0.00 H new ATOM 0 HB2 SER B 34 -1.110 -14.377 -3.591 1.00 0.00 H new ATOM 0 HB3 SER B 34 0.373 -15.089 -4.196 1.00 0.00 H new ATOM 0 HG SER B 34 0.013 -13.102 -2.210 1.00 0.00 H new ATOM 1336 N LYS B 35 -2.003 -13.580 -6.449 1.00 0.00 N ATOM 1337 CA LYS B 35 -2.745 -14.108 -7.583 1.00 0.00 C ATOM 1338 C LYS B 35 -2.519 -13.252 -8.829 1.00 0.00 C ATOM 1339 O LYS B 35 -2.302 -13.792 -9.913 1.00 0.00 O ATOM 1340 CB LYS B 35 -4.238 -14.174 -7.230 1.00 0.00 C ATOM 1341 CG LYS B 35 -4.629 -15.477 -6.518 1.00 0.00 C ATOM 1342 CD LYS B 35 -3.721 -15.848 -5.336 1.00 0.00 C ATOM 1343 CE LYS B 35 -4.343 -16.958 -4.482 1.00 0.00 C ATOM 1344 NZ LYS B 35 -4.482 -18.218 -5.230 1.00 0.00 N ATOM 0 H LYS B 35 -2.583 -13.053 -5.796 1.00 0.00 H new ATOM 0 HA LYS B 35 -2.386 -15.113 -7.805 1.00 0.00 H new ATOM 0 HB2 LYS B 35 -4.493 -13.327 -6.592 1.00 0.00 H new ATOM 0 HB3 LYS B 35 -4.826 -14.074 -8.142 1.00 0.00 H new ATOM 0 HG2 LYS B 35 -5.654 -15.388 -6.159 1.00 0.00 H new ATOM 0 HG3 LYS B 35 -4.614 -16.292 -7.242 1.00 0.00 H new ATOM 0 HD2 LYS B 35 -2.750 -16.174 -5.709 1.00 0.00 H new ATOM 0 HD3 LYS B 35 -3.546 -14.967 -4.719 1.00 0.00 H new ATOM 0 HE2 LYS B 35 -3.725 -17.126 -3.600 1.00 0.00 H new ATOM 0 HE3 LYS B 35 -5.323 -16.637 -4.128 1.00 0.00 H new ATOM 0 HZ1 LYS B 35 -4.875 -18.951 -4.606 1.00 0.00 H new ATOM 0 HZ2 LYS B 35 -5.120 -18.073 -6.038 1.00 0.00 H new ATOM 0 HZ3 LYS B 35 -3.549 -18.521 -5.575 1.00 0.00 H new ATOM 1358 N THR B 36 -2.568 -11.925 -8.672 1.00 0.00 N ATOM 1359 CA THR B 36 -2.407 -10.977 -9.765 1.00 0.00 C ATOM 1360 C THR B 36 -0.942 -10.875 -10.200 1.00 0.00 C ATOM 1361 O THR B 36 -0.631 -11.140 -11.360 1.00 0.00 O ATOM 1362 CB THR B 36 -3.007 -9.620 -9.369 1.00 0.00 C ATOM 1363 OG1 THR B 36 -2.417 -9.136 -8.182 1.00 0.00 O ATOM 1364 CG2 THR B 36 -4.521 -9.739 -9.157 1.00 0.00 C ATOM 0 H THR B 36 -2.723 -11.479 -7.768 1.00 0.00 H new ATOM 0 HA THR B 36 -2.954 -11.337 -10.636 1.00 0.00 H new ATOM 0 HB THR B 36 -2.806 -8.923 -10.182 1.00 0.00 H new ATOM 0 HG1 THR B 36 -2.813 -8.270 -7.949 1.00 0.00 H new ATOM 0 HG21 THR B 36 -4.927 -8.767 -8.877 1.00 0.00 H new ATOM 0 HG22 THR B 36 -4.992 -10.077 -10.080 1.00 0.00 H new ATOM 0 HG23 THR B 36 -4.722 -10.458 -8.363 1.00 0.00 H new ATOM 1372 N SER B 37 -0.050 -10.509 -9.271 1.00 0.00 N ATOM 1373 CA SER B 37 1.382 -10.367 -9.510 1.00 0.00 C ATOM 1374 C SER B 37 2.111 -11.670 -9.179 1.00 0.00 C ATOM 1375 O SER B 37 1.570 -12.529 -8.484 1.00 0.00 O ATOM 1376 CB SER B 37 1.941 -9.209 -8.678 1.00 0.00 C ATOM 1377 OG SER B 37 1.269 -8.008 -8.988 1.00 0.00 O ATOM 0 H SER B 37 -0.317 -10.299 -8.309 1.00 0.00 H new ATOM 0 HA SER B 37 1.542 -10.146 -10.565 1.00 0.00 H new ATOM 0 HB2 SER B 37 1.831 -9.430 -7.616 1.00 0.00 H new ATOM 0 HB3 SER B 37 3.008 -9.096 -8.872 1.00 0.00 H new ATOM 0 HG SER B 37 1.610 -7.286 -8.419 1.00 0.00 H new ATOM 1383 N THR B 38 3.342 -11.814 -9.689 1.00 0.00 N ATOM 1384 CA THR B 38 4.181 -12.989 -9.479 1.00 0.00 C ATOM 1385 C THR B 38 4.441 -13.198 -7.984 1.00 0.00 C ATOM 1386 O THR B 38 4.133 -14.265 -7.456 1.00 0.00 O ATOM 1387 CB THR B 38 5.485 -12.862 -10.286 1.00 0.00 C ATOM 1388 OG1 THR B 38 6.154 -11.650 -9.997 1.00 0.00 O ATOM 1389 CG2 THR B 38 5.206 -12.926 -11.791 1.00 0.00 C ATOM 0 H THR B 38 3.785 -11.101 -10.269 1.00 0.00 H new ATOM 0 HA THR B 38 3.660 -13.875 -9.842 1.00 0.00 H new ATOM 0 HB THR B 38 6.121 -13.699 -9.996 1.00 0.00 H new ATOM 0 HG1 THR B 38 6.979 -11.598 -10.523 1.00 0.00 H new ATOM 0 HG21 THR B 38 6.144 -12.834 -12.339 1.00 0.00 H new ATOM 0 HG22 THR B 38 4.736 -13.879 -12.034 1.00 0.00 H new ATOM 0 HG23 THR B 38 4.540 -12.111 -12.073 1.00 0.00 H new ATOM 1397 N TRP B 39 4.992 -12.162 -7.336 1.00 0.00 N ATOM 1398 CA TRP B 39 5.338 -12.023 -5.929 1.00 0.00 C ATOM 1399 C TRP B 39 4.708 -13.045 -4.977 1.00 0.00 C ATOM 1400 O TRP B 39 3.487 -13.120 -4.852 1.00 0.00 O ATOM 1401 CB TRP B 39 4.967 -10.602 -5.479 1.00 0.00 C ATOM 1402 CG TRP B 39 5.401 -9.464 -6.355 1.00 0.00 C ATOM 1403 CD1 TRP B 39 6.510 -9.424 -7.129 1.00 0.00 C ATOM 1404 CD2 TRP B 39 4.712 -8.201 -6.588 1.00 0.00 C ATOM 1405 NE1 TRP B 39 6.542 -8.248 -7.847 1.00 0.00 N ATOM 1406 CE2 TRP B 39 5.451 -7.457 -7.554 1.00 0.00 C ATOM 1407 CE3 TRP B 39 3.528 -7.613 -6.091 1.00 0.00 C ATOM 1408 CZ2 TRP B 39 5.029 -6.203 -8.016 1.00 0.00 C ATOM 1409 CZ3 TRP B 39 3.092 -6.358 -6.552 1.00 0.00 C ATOM 1410 CH2 TRP B 39 3.832 -5.664 -7.524 1.00 0.00 C ATOM 0 H TRP B 39 5.229 -11.312 -7.848 1.00 0.00 H new ATOM 0 HA TRP B 39 6.408 -12.218 -5.866 1.00 0.00 H new ATOM 0 HB2 TRP B 39 3.883 -10.554 -5.377 1.00 0.00 H new ATOM 0 HB3 TRP B 39 5.388 -10.442 -4.486 1.00 0.00 H new ATOM 0 HD1 TRP B 39 7.260 -10.200 -7.177 1.00 0.00 H new ATOM 0 HE1 TRP B 39 7.276 -7.996 -8.508 1.00 0.00 H new ATOM 0 HE3 TRP B 39 2.948 -8.136 -5.345 1.00 0.00 H new ATOM 0 HZ2 TRP B 39 5.617 -5.660 -8.741 1.00 0.00 H new ATOM 0 HZ3 TRP B 39 2.184 -5.926 -6.157 1.00 0.00 H new ATOM 0 HH2 TRP B 39 3.478 -4.713 -7.893 1.00 0.00 H new ATOM 1421 N SER B 40 5.563 -13.811 -4.288 1.00 0.00 N ATOM 1422 CA SER B 40 5.186 -14.808 -3.294 1.00 0.00 C ATOM 1423 C SER B 40 4.793 -14.090 -1.989 1.00 0.00 C ATOM 1424 O SER B 40 4.912 -12.867 -1.917 1.00 0.00 O ATOM 1425 CB SER B 40 6.385 -15.748 -3.095 1.00 0.00 C ATOM 1426 OG SER B 40 6.800 -16.290 -4.331 1.00 0.00 O ATOM 0 H SER B 40 6.573 -13.746 -4.417 1.00 0.00 H new ATOM 0 HA SER B 40 4.328 -15.397 -3.617 1.00 0.00 H new ATOM 0 HB2 SER B 40 7.209 -15.203 -2.635 1.00 0.00 H new ATOM 0 HB3 SER B 40 6.114 -16.552 -2.411 1.00 0.00 H new ATOM 0 HG SER B 40 7.565 -16.885 -4.187 1.00 0.00 H new ATOM 1432 N PRO B 41 4.317 -14.797 -0.947 1.00 0.00 N ATOM 1433 CA PRO B 41 3.933 -14.182 0.319 1.00 0.00 C ATOM 1434 C PRO B 41 5.032 -13.300 0.912 1.00 0.00 C ATOM 1435 O PRO B 41 4.755 -12.182 1.338 1.00 0.00 O ATOM 1436 CB PRO B 41 3.558 -15.347 1.237 1.00 0.00 C ATOM 1437 CG PRO B 41 3.009 -16.357 0.249 1.00 0.00 C ATOM 1438 CD PRO B 41 3.984 -16.214 -0.918 1.00 0.00 C ATOM 0 HA PRO B 41 3.098 -13.495 0.183 1.00 0.00 H new ATOM 0 HB2 PRO B 41 4.420 -15.734 1.780 1.00 0.00 H new ATOM 0 HB3 PRO B 41 2.816 -15.058 1.981 1.00 0.00 H new ATOM 0 HG2 PRO B 41 3.005 -17.368 0.657 1.00 0.00 H new ATOM 0 HG3 PRO B 41 1.984 -16.127 -0.044 1.00 0.00 H new ATOM 0 HD2 PRO B 41 4.873 -16.827 -0.769 1.00 0.00 H new ATOM 0 HD3 PRO B 41 3.529 -16.534 -1.856 1.00 0.00 H new ATOM 1446 N LYS B 42 6.276 -13.796 0.910 1.00 0.00 N ATOM 1447 CA LYS B 42 7.434 -13.072 1.409 1.00 0.00 C ATOM 1448 C LYS B 42 7.666 -11.805 0.588 1.00 0.00 C ATOM 1449 O LYS B 42 7.753 -10.722 1.161 1.00 0.00 O ATOM 1450 CB LYS B 42 8.670 -13.978 1.375 1.00 0.00 C ATOM 1451 CG LYS B 42 8.610 -15.009 2.510 1.00 0.00 C ATOM 1452 CD LYS B 42 9.796 -15.981 2.478 1.00 0.00 C ATOM 1453 CE LYS B 42 9.655 -17.025 1.364 1.00 0.00 C ATOM 1454 NZ LYS B 42 10.729 -18.029 1.435 1.00 0.00 N ATOM 0 H LYS B 42 6.501 -14.725 0.555 1.00 0.00 H new ATOM 0 HA LYS B 42 7.249 -12.775 2.441 1.00 0.00 H new ATOM 0 HB2 LYS B 42 8.728 -14.489 0.414 1.00 0.00 H new ATOM 0 HB3 LYS B 42 9.573 -13.375 1.470 1.00 0.00 H new ATOM 0 HG2 LYS B 42 8.594 -14.490 3.468 1.00 0.00 H new ATOM 0 HG3 LYS B 42 7.680 -15.572 2.437 1.00 0.00 H new ATOM 0 HD2 LYS B 42 10.720 -15.421 2.334 1.00 0.00 H new ATOM 0 HD3 LYS B 42 9.876 -16.487 3.440 1.00 0.00 H new ATOM 0 HE2 LYS B 42 8.687 -17.519 1.445 1.00 0.00 H new ATOM 0 HE3 LYS B 42 9.680 -16.530 0.393 1.00 0.00 H new ATOM 0 HZ1 LYS B 42 10.608 -18.722 0.669 1.00 0.00 H new ATOM 0 HZ2 LYS B 42 11.651 -17.559 1.333 1.00 0.00 H new ATOM 0 HZ3 LYS B 42 10.688 -18.517 2.353 1.00 0.00 H new ATOM 1468 N THR B 43 7.747 -11.949 -0.743 1.00 0.00 N ATOM 1469 CA THR B 43 7.968 -10.896 -1.724 1.00 0.00 C ATOM 1470 C THR B 43 7.082 -9.659 -1.530 1.00 0.00 C ATOM 1471 O THR B 43 7.498 -8.556 -1.878 1.00 0.00 O ATOM 1472 CB THR B 43 7.756 -11.499 -3.114 1.00 0.00 C ATOM 1473 OG1 THR B 43 8.444 -12.728 -3.216 1.00 0.00 O ATOM 1474 CG2 THR B 43 8.205 -10.549 -4.225 1.00 0.00 C ATOM 0 H THR B 43 7.653 -12.865 -1.182 1.00 0.00 H new ATOM 0 HA THR B 43 8.987 -10.531 -1.597 1.00 0.00 H new ATOM 0 HB THR B 43 6.687 -11.668 -3.242 1.00 0.00 H new ATOM 0 HG1 THR B 43 8.437 -13.030 -4.148 1.00 0.00 H new ATOM 0 HG21 THR B 43 8.036 -11.018 -5.195 1.00 0.00 H new ATOM 0 HG22 THR B 43 7.633 -9.623 -4.165 1.00 0.00 H new ATOM 0 HG23 THR B 43 9.266 -10.328 -4.108 1.00 0.00 H new ATOM 1482 N ILE B 44 5.873 -9.835 -0.983 1.00 0.00 N ATOM 1483 CA ILE B 44 4.907 -8.765 -0.763 1.00 0.00 C ATOM 1484 C ILE B 44 5.189 -8.007 0.536 1.00 0.00 C ATOM 1485 O ILE B 44 5.185 -6.778 0.526 1.00 0.00 O ATOM 1486 CB ILE B 44 3.484 -9.354 -0.806 1.00 0.00 C ATOM 1487 CG1 ILE B 44 3.208 -9.855 -2.238 1.00 0.00 C ATOM 1488 CG2 ILE B 44 2.436 -8.311 -0.377 1.00 0.00 C ATOM 1489 CD1 ILE B 44 2.025 -10.817 -2.321 1.00 0.00 C ATOM 0 H ILE B 44 5.537 -10.748 -0.676 1.00 0.00 H new ATOM 0 HA ILE B 44 4.998 -8.027 -1.560 1.00 0.00 H new ATOM 0 HB ILE B 44 3.412 -10.184 -0.103 1.00 0.00 H new ATOM 0 HG12 ILE B 44 3.018 -8.999 -2.885 1.00 0.00 H new ATOM 0 HG13 ILE B 44 4.100 -10.352 -2.620 1.00 0.00 H new ATOM 0 HG21 ILE B 44 1.442 -8.756 -0.418 1.00 0.00 H new ATOM 0 HG22 ILE B 44 2.645 -7.982 0.641 1.00 0.00 H new ATOM 0 HG23 ILE B 44 2.478 -7.455 -1.050 1.00 0.00 H new ATOM 0 HD11 ILE B 44 1.884 -11.132 -3.355 1.00 0.00 H new ATOM 0 HD12 ILE B 44 2.222 -11.690 -1.699 1.00 0.00 H new ATOM 0 HD13 ILE B 44 1.123 -10.316 -1.968 1.00 0.00 H new ATOM 1501 N GLN B 45 5.427 -8.736 1.636 1.00 0.00 N ATOM 1502 CA GLN B 45 5.674 -8.210 2.979 1.00 0.00 C ATOM 1503 C GLN B 45 6.630 -7.014 3.032 1.00 0.00 C ATOM 1504 O GLN B 45 6.425 -6.125 3.858 1.00 0.00 O ATOM 1505 CB GLN B 45 6.173 -9.337 3.893 1.00 0.00 C ATOM 1506 CG GLN B 45 5.060 -10.351 4.193 1.00 0.00 C ATOM 1507 CD GLN B 45 5.576 -11.622 4.867 1.00 0.00 C ATOM 1508 OE1 GLN B 45 6.771 -11.908 4.851 1.00 0.00 O ATOM 1509 NE2 GLN B 45 4.664 -12.393 5.464 1.00 0.00 N ATOM 0 H GLN B 45 5.453 -9.755 1.608 1.00 0.00 H new ATOM 0 HA GLN B 45 4.717 -7.826 3.332 1.00 0.00 H new ATOM 0 HB2 GLN B 45 7.013 -9.846 3.420 1.00 0.00 H new ATOM 0 HB3 GLN B 45 6.542 -8.913 4.827 1.00 0.00 H new ATOM 0 HG2 GLN B 45 4.313 -9.883 4.835 1.00 0.00 H new ATOM 0 HG3 GLN B 45 4.559 -10.618 3.263 1.00 0.00 H new ATOM 0 HE21 GLN B 45 3.681 -12.120 5.455 1.00 0.00 H new ATOM 0 HE22 GLN B 45 4.950 -13.255 5.929 1.00 0.00 H new ATOM 1518 N THR B 46 7.662 -6.977 2.177 1.00 0.00 N ATOM 1519 CA THR B 46 8.610 -5.869 2.157 1.00 0.00 C ATOM 1520 C THR B 46 7.934 -4.542 1.864 1.00 0.00 C ATOM 1521 O THR B 46 8.288 -3.548 2.490 1.00 0.00 O ATOM 1522 CB THR B 46 9.718 -6.059 1.119 1.00 0.00 C ATOM 1523 OG1 THR B 46 10.638 -4.998 1.285 1.00 0.00 O ATOM 1524 CG2 THR B 46 9.211 -6.055 -0.334 1.00 0.00 C ATOM 0 H THR B 46 7.856 -7.707 1.491 1.00 0.00 H new ATOM 0 HA THR B 46 9.043 -5.858 3.157 1.00 0.00 H new ATOM 0 HB THR B 46 10.168 -7.038 1.285 1.00 0.00 H new ATOM 0 HG1 THR B 46 11.365 -5.090 0.634 1.00 0.00 H new ATOM 0 HG21 THR B 46 10.052 -6.195 -1.013 1.00 0.00 H new ATOM 0 HG22 THR B 46 8.495 -6.865 -0.472 1.00 0.00 H new ATOM 0 HG23 THR B 46 8.726 -5.102 -0.548 1.00 0.00 H new ATOM 1532 N MET B 47 7.004 -4.520 0.900 1.00 0.00 N ATOM 1533 CA MET B 47 6.332 -3.300 0.506 1.00 0.00 C ATOM 1534 C MET B 47 5.712 -2.656 1.733 1.00 0.00 C ATOM 1535 O MET B 47 6.061 -1.524 2.040 1.00 0.00 O ATOM 1536 CB MET B 47 5.333 -3.531 -0.634 1.00 0.00 C ATOM 1537 CG MET B 47 6.048 -4.023 -1.899 1.00 0.00 C ATOM 1538 SD MET B 47 5.121 -3.755 -3.435 1.00 0.00 S ATOM 1539 CE MET B 47 6.204 -4.622 -4.595 1.00 0.00 C ATOM 0 H MET B 47 6.706 -5.347 0.382 1.00 0.00 H new ATOM 0 HA MET B 47 7.061 -2.603 0.093 1.00 0.00 H new ATOM 0 HB2 MET B 47 4.587 -4.263 -0.326 1.00 0.00 H new ATOM 0 HB3 MET B 47 4.801 -2.604 -0.850 1.00 0.00 H new ATOM 0 HG2 MET B 47 7.011 -3.518 -1.977 1.00 0.00 H new ATOM 0 HG3 MET B 47 6.254 -5.088 -1.794 1.00 0.00 H new ATOM 0 HE1 MET B 47 5.786 -4.559 -5.600 1.00 0.00 H new ATOM 0 HE2 MET B 47 7.192 -4.162 -4.584 1.00 0.00 H new ATOM 0 HE3 MET B 47 6.288 -5.668 -4.302 1.00 0.00 H new ATOM 1549 N LEU B 48 4.876 -3.383 2.480 1.00 0.00 N ATOM 1550 CA LEU B 48 4.250 -2.887 3.672 1.00 0.00 C ATOM 1551 C LEU B 48 5.286 -2.387 4.685 1.00 0.00 C ATOM 1552 O LEU B 48 5.245 -1.219 5.055 1.00 0.00 O ATOM 1553 CB LEU B 48 3.434 -4.053 4.209 1.00 0.00 C ATOM 1554 CG LEU B 48 2.276 -4.488 3.290 1.00 0.00 C ATOM 1555 CD1 LEU B 48 1.117 -3.489 3.380 1.00 0.00 C ATOM 1556 CD2 LEU B 48 2.494 -4.856 1.818 1.00 0.00 C ATOM 0 H LEU B 48 4.622 -4.345 2.256 1.00 0.00 H new ATOM 0 HA LEU B 48 3.617 -2.023 3.471 1.00 0.00 H new ATOM 0 HB2 LEU B 48 4.097 -4.904 4.367 1.00 0.00 H new ATOM 0 HB3 LEU B 48 3.028 -3.780 5.183 1.00 0.00 H new ATOM 0 HG LEU B 48 2.081 -5.470 3.722 1.00 0.00 H new ATOM 0 HD11 LEU B 48 0.307 -3.811 2.725 1.00 0.00 H new ATOM 0 HD12 LEU B 48 0.756 -3.442 4.407 1.00 0.00 H new ATOM 0 HD13 LEU B 48 1.462 -2.502 3.072 1.00 0.00 H new ATOM 0 HD21 LEU B 48 1.541 -5.131 1.367 1.00 0.00 H new ATOM 0 HD22 LEU B 48 2.914 -4.001 1.288 1.00 0.00 H new ATOM 0 HD23 LEU B 48 3.183 -5.698 1.752 1.00 0.00 H new ATOM 1568 N LEU B 49 6.228 -3.245 5.100 1.00 0.00 N ATOM 1569 CA LEU B 49 7.267 -2.923 6.076 1.00 0.00 C ATOM 1570 C LEU B 49 8.045 -1.657 5.710 1.00 0.00 C ATOM 1571 O LEU B 49 8.176 -0.756 6.535 1.00 0.00 O ATOM 1572 CB LEU B 49 8.188 -4.144 6.247 1.00 0.00 C ATOM 1573 CG LEU B 49 9.274 -4.058 7.342 1.00 0.00 C ATOM 1574 CD1 LEU B 49 10.560 -3.382 6.851 1.00 0.00 C ATOM 1575 CD2 LEU B 49 8.815 -3.407 8.655 1.00 0.00 C ATOM 0 H LEU B 49 6.286 -4.203 4.756 1.00 0.00 H new ATOM 0 HA LEU B 49 6.792 -2.699 7.031 1.00 0.00 H new ATOM 0 HB2 LEU B 49 7.563 -5.012 6.457 1.00 0.00 H new ATOM 0 HB3 LEU B 49 8.683 -4.331 5.294 1.00 0.00 H new ATOM 0 HG LEU B 49 9.485 -5.103 7.567 1.00 0.00 H new ATOM 0 HD11 LEU B 49 11.287 -3.350 7.663 1.00 0.00 H new ATOM 0 HD12 LEU B 49 10.973 -3.948 6.016 1.00 0.00 H new ATOM 0 HD13 LEU B 49 10.335 -2.367 6.524 1.00 0.00 H new ATOM 0 HD21 LEU B 49 9.644 -3.391 9.362 1.00 0.00 H new ATOM 0 HD22 LEU B 49 8.485 -2.387 8.459 1.00 0.00 H new ATOM 0 HD23 LEU B 49 7.989 -3.981 9.076 1.00 0.00 H new ATOM 1587 N ARG B 50 8.556 -1.582 4.477 1.00 0.00 N ATOM 1588 CA ARG B 50 9.347 -0.455 4.007 1.00 0.00 C ATOM 1589 C ARG B 50 8.497 0.796 3.876 1.00 0.00 C ATOM 1590 O ARG B 50 8.910 1.838 4.367 1.00 0.00 O ATOM 1591 CB ARG B 50 10.143 -0.824 2.760 1.00 0.00 C ATOM 1592 CG ARG B 50 11.259 -1.778 3.198 1.00 0.00 C ATOM 1593 CD ARG B 50 12.513 -0.945 3.445 1.00 0.00 C ATOM 1594 NE ARG B 50 13.549 -1.699 4.157 1.00 0.00 N ATOM 1595 CZ ARG B 50 14.753 -1.203 4.488 1.00 0.00 C ATOM 1596 NH1 ARG B 50 15.099 0.052 4.163 1.00 0.00 N ATOM 1597 NH2 ARG B 50 15.624 -1.970 5.155 1.00 0.00 N ATOM 0 H ARG B 50 8.427 -2.312 3.776 1.00 0.00 H new ATOM 0 HA ARG B 50 10.098 -0.206 4.757 1.00 0.00 H new ATOM 0 HB2 ARG B 50 9.499 -1.300 2.020 1.00 0.00 H new ATOM 0 HB3 ARG B 50 10.561 0.068 2.293 1.00 0.00 H new ATOM 0 HG2 ARG B 50 10.971 -2.313 4.103 1.00 0.00 H new ATOM 0 HG3 ARG B 50 11.444 -2.528 2.429 1.00 0.00 H new ATOM 0 HD2 ARG B 50 12.910 -0.598 2.491 1.00 0.00 H new ATOM 0 HD3 ARG B 50 12.250 -0.059 4.022 1.00 0.00 H new ATOM 0 HE ARG B 50 13.342 -2.663 4.418 1.00 0.00 H new ATOM 0 HH11 ARG B 50 14.443 0.647 3.656 1.00 0.00 H new ATOM 0 HH12 ARG B 50 16.018 0.411 4.423 1.00 0.00 H new ATOM 0 HH21 ARG B 50 15.372 -2.925 5.409 1.00 0.00 H new ATOM 0 HH22 ARG B 50 16.540 -1.599 5.409 1.00 0.00 H new ATOM 1611 N LEU B 51 7.324 0.722 3.236 1.00 0.00 N ATOM 1612 CA LEU B 51 6.386 1.820 3.196 1.00 0.00 C ATOM 1613 C LEU B 51 6.161 2.336 4.621 1.00 0.00 C ATOM 1614 O LEU B 51 6.169 3.540 4.830 1.00 0.00 O ATOM 1615 CB LEU B 51 5.110 1.338 2.498 1.00 0.00 C ATOM 1616 CG LEU B 51 5.238 1.476 0.969 1.00 0.00 C ATOM 1617 CD1 LEU B 51 6.482 0.975 0.232 1.00 0.00 C ATOM 1618 CD2 LEU B 51 3.975 0.982 0.250 1.00 0.00 C ATOM 0 H LEU B 51 7.010 -0.108 2.734 1.00 0.00 H new ATOM 0 HA LEU B 51 6.764 2.665 2.621 1.00 0.00 H new ATOM 0 HB2 LEU B 51 4.918 0.297 2.759 1.00 0.00 H new ATOM 0 HB3 LEU B 51 4.256 1.917 2.850 1.00 0.00 H new ATOM 0 HG LEU B 51 5.374 2.556 0.907 1.00 0.00 H new ATOM 0 HD11 LEU B 51 6.374 1.166 -0.836 1.00 0.00 H new ATOM 0 HD12 LEU B 51 7.362 1.497 0.607 1.00 0.00 H new ATOM 0 HD13 LEU B 51 6.597 -0.096 0.399 1.00 0.00 H new ATOM 0 HD21 LEU B 51 4.102 1.095 -0.827 1.00 0.00 H new ATOM 0 HD22 LEU B 51 3.808 -0.069 0.488 1.00 0.00 H new ATOM 0 HD23 LEU B 51 3.117 1.569 0.578 1.00 0.00 H new ATOM 1630 N ILE B 52 6.042 1.452 5.618 1.00 0.00 N ATOM 1631 CA ILE B 52 5.896 1.854 7.007 1.00 0.00 C ATOM 1632 C ILE B 52 7.188 2.476 7.553 1.00 0.00 C ATOM 1633 O ILE B 52 7.122 3.425 8.333 1.00 0.00 O ATOM 1634 CB ILE B 52 5.352 0.680 7.835 1.00 0.00 C ATOM 1635 CG1 ILE B 52 3.944 0.336 7.321 1.00 0.00 C ATOM 1636 CG2 ILE B 52 5.285 1.045 9.323 1.00 0.00 C ATOM 1637 CD1 ILE B 52 3.486 -1.065 7.714 1.00 0.00 C ATOM 0 H ILE B 52 6.045 0.442 5.477 1.00 0.00 H new ATOM 0 HA ILE B 52 5.157 2.652 7.083 1.00 0.00 H new ATOM 0 HB ILE B 52 6.018 -0.176 7.728 1.00 0.00 H new ATOM 0 HG12 ILE B 52 3.234 1.066 7.710 1.00 0.00 H new ATOM 0 HG13 ILE B 52 3.929 0.425 6.235 1.00 0.00 H new ATOM 0 HG21 ILE B 52 4.897 0.198 9.888 1.00 0.00 H new ATOM 0 HG22 ILE B 52 6.284 1.294 9.682 1.00 0.00 H new ATOM 0 HG23 ILE B 52 4.627 1.903 9.458 1.00 0.00 H new ATOM 0 HD11 ILE B 52 2.485 -1.244 7.321 1.00 0.00 H new ATOM 0 HD12 ILE B 52 4.175 -1.802 7.302 1.00 0.00 H new ATOM 0 HD13 ILE B 52 3.469 -1.151 8.800 1.00 0.00 H new ATOM 1649 N LYS B 53 8.355 1.973 7.128 1.00 0.00 N ATOM 1650 CA LYS B 53 9.657 2.477 7.543 1.00 0.00 C ATOM 1651 C LYS B 53 9.906 3.892 7.002 1.00 0.00 C ATOM 1652 O LYS B 53 10.331 4.764 7.758 1.00 0.00 O ATOM 1653 CB LYS B 53 10.749 1.504 7.075 1.00 0.00 C ATOM 1654 CG LYS B 53 12.109 1.799 7.714 1.00 0.00 C ATOM 1655 CD LYS B 53 13.153 0.818 7.168 1.00 0.00 C ATOM 1656 CE LYS B 53 14.526 1.013 7.818 1.00 0.00 C ATOM 1657 NZ LYS B 53 15.122 2.314 7.469 1.00 0.00 N ATOM 0 H LYS B 53 8.414 1.191 6.475 1.00 0.00 H new ATOM 0 HA LYS B 53 9.681 2.544 8.631 1.00 0.00 H new ATOM 0 HB2 LYS B 53 10.451 0.484 7.317 1.00 0.00 H new ATOM 0 HB3 LYS B 53 10.841 1.560 5.990 1.00 0.00 H new ATOM 0 HG2 LYS B 53 12.410 2.824 7.498 1.00 0.00 H new ATOM 0 HG3 LYS B 53 12.041 1.708 8.798 1.00 0.00 H new ATOM 0 HD2 LYS B 53 12.814 -0.204 7.339 1.00 0.00 H new ATOM 0 HD3 LYS B 53 13.242 0.948 6.089 1.00 0.00 H new ATOM 0 HE2 LYS B 53 14.428 0.938 8.901 1.00 0.00 H new ATOM 0 HE3 LYS B 53 15.194 0.212 7.502 1.00 0.00 H new ATOM 0 HZ1 LYS B 53 16.027 2.161 6.980 1.00 0.00 H new ATOM 0 HZ2 LYS B 53 14.475 2.836 6.844 1.00 0.00 H new ATOM 0 HZ3 LYS B 53 15.286 2.865 8.336 1.00 0.00 H new ATOM 1671 N LYS B 54 9.630 4.125 5.709 1.00 0.00 N ATOM 1672 CA LYS B 54 9.826 5.417 5.058 1.00 0.00 C ATOM 1673 C LYS B 54 8.643 6.363 5.297 1.00 0.00 C ATOM 1674 O LYS B 54 8.796 7.571 5.121 1.00 0.00 O ATOM 1675 CB LYS B 54 10.052 5.234 3.552 1.00 0.00 C ATOM 1676 CG LYS B 54 11.100 4.178 3.165 1.00 0.00 C ATOM 1677 CD LYS B 54 12.458 4.368 3.848 1.00 0.00 C ATOM 1678 CE LYS B 54 13.437 3.300 3.351 1.00 0.00 C ATOM 1679 NZ LYS B 54 14.739 3.404 4.028 1.00 0.00 N ATOM 0 H LYS B 54 9.260 3.409 5.084 1.00 0.00 H new ATOM 0 HA LYS B 54 10.712 5.870 5.502 1.00 0.00 H new ATOM 0 HB2 LYS B 54 9.102 4.965 3.090 1.00 0.00 H new ATOM 0 HB3 LYS B 54 10.353 6.192 3.128 1.00 0.00 H new ATOM 0 HG2 LYS B 54 10.714 3.190 3.415 1.00 0.00 H new ATOM 0 HG3 LYS B 54 11.242 4.201 2.085 1.00 0.00 H new ATOM 0 HD2 LYS B 54 12.849 5.362 3.633 1.00 0.00 H new ATOM 0 HD3 LYS B 54 12.345 4.297 4.930 1.00 0.00 H new ATOM 0 HE2 LYS B 54 13.015 2.310 3.523 1.00 0.00 H new ATOM 0 HE3 LYS B 54 13.576 3.405 2.275 1.00 0.00 H new ATOM 0 HZ1 LYS B 54 15.492 3.091 3.383 1.00 0.00 H new ATOM 0 HZ2 LYS B 54 14.909 4.392 4.304 1.00 0.00 H new ATOM 0 HZ3 LYS B 54 14.738 2.803 4.876 1.00 0.00 H new ATOM 1693 N GLY B 55 7.483 5.829 5.711 1.00 0.00 N ATOM 1694 CA GLY B 55 6.298 6.602 6.047 1.00 0.00 C ATOM 1695 C GLY B 55 5.136 6.601 5.048 1.00 0.00 C ATOM 1696 O GLY B 55 4.189 7.344 5.301 1.00 0.00 O ATOM 0 H GLY B 55 7.350 4.824 5.821 1.00 0.00 H new ATOM 0 HA2 GLY B 55 5.919 6.236 7.001 1.00 0.00 H new ATOM 0 HA3 GLY B 55 6.606 7.636 6.202 1.00 0.00 H new ATOM 1700 N ALA B 56 5.143 5.831 3.942 1.00 0.00 N ATOM 1701 CA ALA B 56 3.978 5.816 3.064 1.00 0.00 C ATOM 1702 C ALA B 56 2.749 5.230 3.786 1.00 0.00 C ATOM 1703 O ALA B 56 1.657 5.775 3.667 1.00 0.00 O ATOM 1704 CB ALA B 56 4.279 5.021 1.795 1.00 0.00 C ATOM 0 H ALA B 56 5.917 5.234 3.650 1.00 0.00 H new ATOM 0 HA ALA B 56 3.749 6.845 2.787 1.00 0.00 H new ATOM 0 HB1 ALA B 56 3.400 5.019 1.150 1.00 0.00 H new ATOM 0 HB2 ALA B 56 5.115 5.480 1.268 1.00 0.00 H new ATOM 0 HB3 ALA B 56 4.537 3.996 2.061 1.00 0.00 H new ATOM 1710 N LEU B 57 2.931 4.133 4.537 1.00 0.00 N ATOM 1711 CA LEU B 57 1.901 3.407 5.288 1.00 0.00 C ATOM 1712 C LEU B 57 2.201 3.413 6.792 1.00 0.00 C ATOM 1713 O LEU B 57 3.253 3.885 7.214 1.00 0.00 O ATOM 1714 CB LEU B 57 1.774 1.967 4.763 1.00 0.00 C ATOM 1715 CG LEU B 57 0.633 1.774 3.750 1.00 0.00 C ATOM 1716 CD1 LEU B 57 0.731 2.665 2.504 1.00 0.00 C ATOM 1717 CD2 LEU B 57 0.618 0.308 3.311 1.00 0.00 C ATOM 0 H LEU B 57 3.852 3.707 4.641 1.00 0.00 H new ATOM 0 HA LEU B 57 0.950 3.918 5.139 1.00 0.00 H new ATOM 0 HB2 LEU B 57 2.715 1.676 4.296 1.00 0.00 H new ATOM 0 HB3 LEU B 57 1.616 1.295 5.607 1.00 0.00 H new ATOM 0 HG LEU B 57 -0.286 2.065 4.258 1.00 0.00 H new ATOM 0 HD11 LEU B 57 -0.113 2.463 1.845 1.00 0.00 H new ATOM 0 HD12 LEU B 57 0.715 3.713 2.804 1.00 0.00 H new ATOM 0 HD13 LEU B 57 1.661 2.453 1.977 1.00 0.00 H new ATOM 0 HD21 LEU B 57 -0.186 0.152 2.592 1.00 0.00 H new ATOM 0 HD22 LEU B 57 1.573 0.057 2.849 1.00 0.00 H new ATOM 0 HD23 LEU B 57 0.456 -0.330 4.180 1.00 0.00 H new ATOM 1729 N ASN B 58 1.213 3.025 7.611 1.00 0.00 N ATOM 1730 CA ASN B 58 1.346 2.887 9.059 1.00 0.00 C ATOM 1731 C ASN B 58 0.568 1.655 9.538 1.00 0.00 C ATOM 1732 O ASN B 58 -0.607 1.546 9.201 1.00 0.00 O ATOM 1733 CB ASN B 58 0.842 4.168 9.737 1.00 0.00 C ATOM 1734 CG ASN B 58 0.888 4.059 11.261 1.00 0.00 C ATOM 1735 OD1 ASN B 58 1.914 4.347 11.874 1.00 0.00 O ATOM 1736 ND2 ASN B 58 -0.225 3.645 11.874 1.00 0.00 N ATOM 0 H ASN B 58 0.279 2.794 7.272 1.00 0.00 H new ATOM 0 HA ASN B 58 2.393 2.745 9.327 1.00 0.00 H new ATOM 0 HB2 ASN B 58 1.450 5.013 9.414 1.00 0.00 H new ATOM 0 HB3 ASN B 58 -0.180 4.370 9.418 1.00 0.00 H new ATOM 0 HD21 ASN B 58 -0.245 3.558 12.890 1.00 0.00 H new ATOM 0 HD22 ASN B 58 -1.054 3.416 11.326 1.00 0.00 H new ATOM 1743 N HIS B 59 1.154 0.769 10.366 1.00 0.00 N ATOM 1744 CA HIS B 59 0.431 -0.390 10.879 1.00 0.00 C ATOM 1745 C HIS B 59 -0.209 -0.096 12.240 1.00 0.00 C ATOM 1746 O HIS B 59 0.309 0.701 13.022 1.00 0.00 O ATOM 1747 CB HIS B 59 1.367 -1.594 11.014 1.00 0.00 C ATOM 1748 CG HIS B 59 2.764 -1.357 11.535 1.00 0.00 C ATOM 1749 ND1 HIS B 59 3.054 -0.386 12.495 1.00 0.00 N ATOM 1750 CD2 HIS B 59 3.916 -2.032 11.227 1.00 0.00 C ATOM 1751 CE1 HIS B 59 4.366 -0.502 12.711 1.00 0.00 C ATOM 1752 NE2 HIS B 59 4.931 -1.474 11.976 1.00 0.00 N ATOM 0 H HIS B 59 2.120 0.840 10.687 1.00 0.00 H new ATOM 0 HA HIS B 59 -0.359 -0.619 10.163 1.00 0.00 H new ATOM 0 HB2 HIS B 59 0.885 -2.318 11.671 1.00 0.00 H new ATOM 0 HB3 HIS B 59 1.452 -2.061 10.033 1.00 0.00 H new ATOM 0 HD1 HIS B 59 2.406 0.268 12.934 1.00 0.00 H new ATOM 0 HD2 HIS B 59 4.012 -2.849 10.528 1.00 0.00 H new ATOM 0 HE1 HIS B 59 4.915 0.119 13.403 1.00 0.00 H new ATOM 1760 N HIS B 60 -1.362 -0.737 12.492 1.00 0.00 N ATOM 1761 CA HIS B 60 -2.136 -0.601 13.719 1.00 0.00 C ATOM 1762 C HIS B 60 -2.831 -1.916 14.076 1.00 0.00 C ATOM 1763 O HIS B 60 -3.565 -2.451 13.249 1.00 0.00 O ATOM 1764 CB HIS B 60 -3.176 0.514 13.543 1.00 0.00 C ATOM 1765 CG HIS B 60 -4.196 0.546 14.655 1.00 0.00 C ATOM 1766 ND1 HIS B 60 -5.480 0.027 14.479 1.00 0.00 N ATOM 1767 CD2 HIS B 60 -4.060 0.960 15.954 1.00 0.00 C ATOM 1768 CE1 HIS B 60 -6.066 0.154 15.672 1.00 0.00 C ATOM 1769 NE2 HIS B 60 -5.257 0.708 16.590 1.00 0.00 N ATOM 0 H HIS B 60 -1.786 -1.380 11.824 1.00 0.00 H new ATOM 0 HA HIS B 60 -1.459 -0.346 14.534 1.00 0.00 H new ATOM 0 HB2 HIS B 60 -2.666 1.476 13.497 1.00 0.00 H new ATOM 0 HB3 HIS B 60 -3.688 0.379 12.590 1.00 0.00 H new ATOM 0 HD2 HIS B 60 -3.179 1.401 16.397 1.00 0.00 H new ATOM 0 HE1 HIS B 60 -7.080 -0.155 15.877 1.00 0.00 H new ATOM 0 HE2 HIS B 60 -5.483 0.904 17.565 1.00 0.00 H new ATOM 1777 N LYS B 61 -2.674 -2.380 15.327 1.00 0.00 N ATOM 1778 CA LYS B 61 -3.301 -3.599 15.817 1.00 0.00 C ATOM 1779 C LYS B 61 -4.727 -3.297 16.274 1.00 0.00 C ATOM 1780 O LYS B 61 -4.948 -2.646 17.294 1.00 0.00 O ATOM 1781 CB LYS B 61 -2.463 -4.232 16.938 1.00 0.00 C ATOM 1782 CG LYS B 61 -3.104 -5.503 17.526 1.00 0.00 C ATOM 1783 CD LYS B 61 -3.321 -6.608 16.481 1.00 0.00 C ATOM 1784 CE LYS B 61 -3.836 -7.906 17.111 1.00 0.00 C ATOM 1785 NZ LYS B 61 -5.210 -7.764 17.622 1.00 0.00 N ATOM 0 H LYS B 61 -2.101 -1.908 16.026 1.00 0.00 H new ATOM 0 HA LYS B 61 -3.351 -4.327 15.008 1.00 0.00 H new ATOM 0 HB2 LYS B 61 -1.474 -4.477 16.550 1.00 0.00 H new ATOM 0 HB3 LYS B 61 -2.321 -3.502 17.735 1.00 0.00 H new ATOM 0 HG2 LYS B 61 -2.469 -5.886 18.325 1.00 0.00 H new ATOM 0 HG3 LYS B 61 -4.062 -5.244 17.977 1.00 0.00 H new ATOM 0 HD2 LYS B 61 -4.033 -6.262 15.731 1.00 0.00 H new ATOM 0 HD3 LYS B 61 -2.383 -6.805 15.962 1.00 0.00 H new ATOM 0 HE2 LYS B 61 -3.805 -8.705 16.371 1.00 0.00 H new ATOM 0 HE3 LYS B 61 -3.175 -8.201 17.926 1.00 0.00 H new ATOM 0 HZ1 LYS B 61 -5.647 -8.704 17.708 1.00 0.00 H new ATOM 0 HZ2 LYS B 61 -5.188 -7.305 18.555 1.00 0.00 H new ATOM 0 HZ3 LYS B 61 -5.767 -7.182 16.964 1.00 0.00 H new ATOM 1799 N GLU B 62 -5.679 -3.793 15.477 1.00 0.00 N ATOM 1800 CA GLU B 62 -7.116 -3.698 15.659 1.00 0.00 C ATOM 1801 C GLU B 62 -7.591 -5.004 16.295 1.00 0.00 C ATOM 1802 O GLU B 62 -7.101 -6.068 15.918 1.00 0.00 O ATOM 1803 CB GLU B 62 -7.764 -3.422 14.294 1.00 0.00 C ATOM 1804 CG GLU B 62 -9.299 -3.417 14.309 1.00 0.00 C ATOM 1805 CD GLU B 62 -9.903 -4.822 14.269 1.00 0.00 C ATOM 1806 OE1 GLU B 62 -9.521 -5.585 13.355 1.00 0.00 O ATOM 1807 OE2 GLU B 62 -10.744 -5.109 15.149 1.00 0.00 O ATOM 0 H GLU B 62 -5.439 -4.307 14.629 1.00 0.00 H new ATOM 0 HA GLU B 62 -7.400 -2.879 16.320 1.00 0.00 H new ATOM 0 HB2 GLU B 62 -7.413 -2.457 13.928 1.00 0.00 H new ATOM 0 HB3 GLU B 62 -7.422 -4.176 13.584 1.00 0.00 H new ATOM 0 HG2 GLU B 62 -9.646 -2.904 15.206 1.00 0.00 H new ATOM 0 HG3 GLU B 62 -9.663 -2.847 13.454 1.00 0.00 H new ATOM 1814 N GLY B 63 -8.500 -4.891 17.278 1.00 0.00 N ATOM 1815 CA GLY B 63 -9.131 -5.955 18.062 1.00 0.00 C ATOM 1816 C GLY B 63 -8.971 -7.366 17.496 1.00 0.00 C ATOM 1817 O GLY B 63 -8.413 -8.233 18.166 1.00 0.00 O ATOM 0 H GLY B 63 -8.838 -3.973 17.565 1.00 0.00 H new ATOM 0 HA2 GLY B 63 -8.716 -5.936 19.070 1.00 0.00 H new ATOM 0 HA3 GLY B 63 -10.195 -5.736 18.151 1.00 0.00 H new ATOM 1821 N ARG B 64 -9.462 -7.590 16.268 1.00 0.00 N ATOM 1822 CA ARG B 64 -9.356 -8.871 15.585 1.00 0.00 C ATOM 1823 C ARG B 64 -7.889 -9.125 15.224 1.00 0.00 C ATOM 1824 O ARG B 64 -7.193 -9.810 15.972 1.00 0.00 O ATOM 1825 CB ARG B 64 -10.285 -8.913 14.368 1.00 0.00 C ATOM 1826 CG ARG B 64 -11.748 -8.768 14.804 1.00 0.00 C ATOM 1827 CD ARG B 64 -12.683 -9.131 13.652 1.00 0.00 C ATOM 1828 NE ARG B 64 -12.521 -8.218 12.514 1.00 0.00 N ATOM 1829 CZ ARG B 64 -13.141 -8.350 11.329 1.00 0.00 C ATOM 1830 NH1 ARG B 64 -13.989 -9.365 11.102 1.00 0.00 N ATOM 1831 NH2 ARG B 64 -12.909 -7.455 10.359 1.00 0.00 N ATOM 0 H ARG B 64 -9.946 -6.876 15.724 1.00 0.00 H new ATOM 0 HA ARG B 64 -9.682 -9.676 16.243 1.00 0.00 H new ATOM 0 HB2 ARG B 64 -10.024 -8.112 13.676 1.00 0.00 H new ATOM 0 HB3 ARG B 64 -10.150 -9.853 13.833 1.00 0.00 H new ATOM 0 HG2 ARG B 64 -11.945 -9.414 15.659 1.00 0.00 H new ATOM 0 HG3 ARG B 64 -11.938 -7.745 15.127 1.00 0.00 H new ATOM 0 HD2 ARG B 64 -12.484 -10.153 13.330 1.00 0.00 H new ATOM 0 HD3 ARG B 64 -13.716 -9.101 13.998 1.00 0.00 H new ATOM 0 HE ARG B 64 -11.891 -7.424 12.631 1.00 0.00 H new ATOM 0 HH11 ARG B 64 -14.171 -10.051 11.835 1.00 0.00 H new ATOM 0 HH12 ARG B 64 -14.451 -9.451 10.197 1.00 0.00 H new ATOM 0 HH21 ARG B 64 -12.266 -6.681 10.523 1.00 0.00 H new ATOM 0 HH22 ARG B 64 -13.376 -7.548 9.457 1.00 0.00 H new ATOM 1845 N VAL B 65 -7.417 -8.578 14.094 1.00 0.00 N ATOM 1846 CA VAL B 65 -6.056 -8.694 13.617 1.00 0.00 C ATOM 1847 C VAL B 65 -5.621 -7.298 13.128 1.00 0.00 C ATOM 1848 O VAL B 65 -6.462 -6.401 13.058 1.00 0.00 O ATOM 1849 CB VAL B 65 -5.992 -9.837 12.589 1.00 0.00 C ATOM 1850 CG1 VAL B 65 -6.260 -11.199 13.245 1.00 0.00 C ATOM 1851 CG2 VAL B 65 -6.961 -9.665 11.400 1.00 0.00 C ATOM 0 H VAL B 65 -8.006 -8.024 13.473 1.00 0.00 H new ATOM 0 HA VAL B 65 -5.335 -8.978 14.383 1.00 0.00 H new ATOM 0 HB VAL B 65 -4.976 -9.797 12.197 1.00 0.00 H new ATOM 0 HG11 VAL B 65 -6.207 -11.983 12.490 1.00 0.00 H new ATOM 0 HG12 VAL B 65 -5.511 -11.386 14.015 1.00 0.00 H new ATOM 0 HG13 VAL B 65 -7.252 -11.196 13.696 1.00 0.00 H new ATOM 0 HG21 VAL B 65 -6.856 -10.510 10.720 1.00 0.00 H new ATOM 0 HG22 VAL B 65 -7.986 -9.621 11.769 1.00 0.00 H new ATOM 0 HG23 VAL B 65 -6.726 -8.742 10.870 1.00 0.00 H new ATOM 1861 N PHE B 66 -4.344 -7.086 12.768 1.00 0.00 N ATOM 1862 CA PHE B 66 -3.855 -5.745 12.425 1.00 0.00 C ATOM 1863 C PHE B 66 -4.145 -5.279 11.018 1.00 0.00 C ATOM 1864 O PHE B 66 -4.263 -6.057 10.080 1.00 0.00 O ATOM 1865 CB PHE B 66 -2.368 -5.554 12.749 1.00 0.00 C ATOM 1866 CG PHE B 66 -1.315 -5.461 11.639 1.00 0.00 C ATOM 1867 CD1 PHE B 66 -1.273 -6.351 10.548 1.00 0.00 C ATOM 1868 CD2 PHE B 66 -0.207 -4.620 11.856 1.00 0.00 C ATOM 1869 CE1 PHE B 66 -0.107 -6.462 9.773 1.00 0.00 C ATOM 1870 CE2 PHE B 66 1.000 -4.830 11.167 1.00 0.00 C ATOM 1871 CZ PHE B 66 1.051 -5.760 10.125 1.00 0.00 C ATOM 0 H PHE B 66 -3.639 -7.821 12.708 1.00 0.00 H new ATOM 0 HA PHE B 66 -4.449 -5.103 13.076 1.00 0.00 H new ATOM 0 HB2 PHE B 66 -2.287 -4.642 13.341 1.00 0.00 H new ATOM 0 HB3 PHE B 66 -2.075 -6.381 13.396 1.00 0.00 H new ATOM 0 HD1 PHE B 66 -2.139 -6.949 10.307 1.00 0.00 H new ATOM 0 HD2 PHE B 66 -0.285 -3.804 12.560 1.00 0.00 H new ATOM 0 HE1 PHE B 66 -0.104 -7.095 8.898 1.00 0.00 H new ATOM 0 HE2 PHE B 66 1.885 -4.275 11.442 1.00 0.00 H new ATOM 0 HZ PHE B 66 1.976 -5.935 9.596 1.00 0.00 H new ATOM 1881 N VAL B 67 -4.271 -3.964 10.887 1.00 0.00 N ATOM 1882 CA VAL B 67 -4.539 -3.323 9.657 1.00 0.00 C ATOM 1883 C VAL B 67 -3.460 -2.301 9.334 1.00 0.00 C ATOM 1884 O VAL B 67 -3.007 -1.529 10.177 1.00 0.00 O ATOM 1885 CB VAL B 67 -5.929 -2.718 9.725 1.00 0.00 C ATOM 1886 CG1 VAL B 67 -6.966 -3.683 10.312 1.00 0.00 C ATOM 1887 CG2 VAL B 67 -5.945 -1.357 10.409 1.00 0.00 C ATOM 0 H VAL B 67 -4.183 -3.318 11.671 1.00 0.00 H new ATOM 0 HA VAL B 67 -4.519 -4.042 8.838 1.00 0.00 H new ATOM 0 HB VAL B 67 -6.230 -2.541 8.692 1.00 0.00 H new ATOM 0 HG11 VAL B 67 -7.942 -3.198 10.337 1.00 0.00 H new ATOM 0 HG12 VAL B 67 -7.022 -4.578 9.693 1.00 0.00 H new ATOM 0 HG13 VAL B 67 -6.673 -3.960 11.325 1.00 0.00 H new ATOM 0 HG21 VAL B 67 -6.965 -0.972 10.429 1.00 0.00 H new ATOM 0 HG22 VAL B 67 -5.575 -1.458 11.429 1.00 0.00 H new ATOM 0 HG23 VAL B 67 -5.307 -0.666 9.859 1.00 0.00 H new ATOM 1897 N TYR B 68 -3.122 -2.303 8.055 1.00 0.00 N ATOM 1898 CA TYR B 68 -2.170 -1.394 7.440 1.00 0.00 C ATOM 1899 C TYR B 68 -3.008 -0.254 6.852 1.00 0.00 C ATOM 1900 O TYR B 68 -3.880 -0.481 6.015 1.00 0.00 O ATOM 1901 CB TYR B 68 -1.477 -2.111 6.276 1.00 0.00 C ATOM 1902 CG TYR B 68 -0.650 -3.322 6.642 1.00 0.00 C ATOM 1903 CD1 TYR B 68 0.512 -3.148 7.411 1.00 0.00 C ATOM 1904 CD2 TYR B 68 -0.867 -4.540 5.973 1.00 0.00 C ATOM 1905 CE1 TYR B 68 1.484 -4.160 7.462 1.00 0.00 C ATOM 1906 CE2 TYR B 68 0.114 -5.542 6.005 1.00 0.00 C ATOM 1907 CZ TYR B 68 1.286 -5.360 6.757 1.00 0.00 C ATOM 1908 OH TYR B 68 2.241 -6.334 6.773 1.00 0.00 O ATOM 0 H TYR B 68 -3.520 -2.966 7.390 1.00 0.00 H new ATOM 0 HA TYR B 68 -1.425 -1.047 8.155 1.00 0.00 H new ATOM 0 HB2 TYR B 68 -2.239 -2.419 5.560 1.00 0.00 H new ATOM 0 HB3 TYR B 68 -0.832 -1.395 5.767 1.00 0.00 H new ATOM 0 HD1 TYR B 68 0.659 -2.233 7.965 1.00 0.00 H new ATOM 0 HD2 TYR B 68 -1.789 -4.704 5.435 1.00 0.00 H new ATOM 0 HE1 TYR B 68 2.383 -4.017 8.043 1.00 0.00 H new ATOM 0 HE2 TYR B 68 -0.032 -6.457 5.449 1.00 0.00 H new ATOM 0 HH TYR B 68 1.940 -7.096 6.235 1.00 0.00 H new ATOM 1918 N THR B 69 -2.729 0.974 7.315 1.00 0.00 N ATOM 1919 CA THR B 69 -3.442 2.194 6.964 1.00 0.00 C ATOM 1920 C THR B 69 -2.596 3.116 6.077 1.00 0.00 C ATOM 1921 O THR B 69 -1.494 3.486 6.479 1.00 0.00 O ATOM 1922 CB THR B 69 -3.858 2.944 8.247 1.00 0.00 C ATOM 1923 OG1 THR B 69 -2.741 3.434 8.960 1.00 0.00 O ATOM 1924 CG2 THR B 69 -4.683 2.068 9.194 1.00 0.00 C ATOM 0 H THR B 69 -1.967 1.142 7.971 1.00 0.00 H new ATOM 0 HA THR B 69 -4.328 1.908 6.397 1.00 0.00 H new ATOM 0 HB THR B 69 -4.470 3.779 7.905 1.00 0.00 H new ATOM 0 HG1 THR B 69 -2.071 2.724 9.047 1.00 0.00 H new ATOM 0 HG21 THR B 69 -4.950 2.642 10.081 1.00 0.00 H new ATOM 0 HG22 THR B 69 -5.590 1.739 8.688 1.00 0.00 H new ATOM 0 HG23 THR B 69 -4.096 1.198 9.489 1.00 0.00 H new ATOM 1932 N PRO B 70 -3.081 3.505 4.883 1.00 0.00 N ATOM 1933 CA PRO B 70 -2.389 4.435 4.003 1.00 0.00 C ATOM 1934 C PRO B 70 -2.169 5.781 4.699 1.00 0.00 C ATOM 1935 O PRO B 70 -3.128 6.502 4.974 1.00 0.00 O ATOM 1936 CB PRO B 70 -3.270 4.571 2.756 1.00 0.00 C ATOM 1937 CG PRO B 70 -3.991 3.229 2.711 1.00 0.00 C ATOM 1938 CD PRO B 70 -4.214 2.914 4.188 1.00 0.00 C ATOM 0 HA PRO B 70 -1.396 4.075 3.734 1.00 0.00 H new ATOM 0 HB2 PRO B 70 -3.968 5.404 2.842 1.00 0.00 H new ATOM 0 HB3 PRO B 70 -2.677 4.743 1.858 1.00 0.00 H new ATOM 0 HG2 PRO B 70 -4.932 3.294 2.165 1.00 0.00 H new ATOM 0 HG3 PRO B 70 -3.390 2.463 2.221 1.00 0.00 H new ATOM 0 HD2 PRO B 70 -5.155 3.335 4.542 1.00 0.00 H new ATOM 0 HD3 PRO B 70 -4.262 1.838 4.358 1.00 0.00 H new ATOM 1946 N ASN B 71 -0.905 6.108 4.998 1.00 0.00 N ATOM 1947 CA ASN B 71 -0.528 7.355 5.651 1.00 0.00 C ATOM 1948 C ASN B 71 -0.585 8.536 4.668 1.00 0.00 C ATOM 1949 O ASN B 71 -0.569 9.685 5.106 1.00 0.00 O ATOM 1950 CB ASN B 71 0.855 7.204 6.303 1.00 0.00 C ATOM 1951 CG ASN B 71 1.121 8.258 7.374 1.00 0.00 C ATOM 1952 OD1 ASN B 71 0.722 8.088 8.525 1.00 0.00 O ATOM 1953 ND2 ASN B 71 1.807 9.343 7.004 1.00 0.00 N ATOM 0 H ASN B 71 -0.111 5.503 4.788 1.00 0.00 H new ATOM 0 HA ASN B 71 -1.247 7.576 6.440 1.00 0.00 H new ATOM 0 HB2 ASN B 71 0.936 6.212 6.748 1.00 0.00 H new ATOM 0 HB3 ASN B 71 1.624 7.272 5.534 1.00 0.00 H new ATOM 0 HD21 ASN B 71 2.018 10.070 7.687 1.00 0.00 H new ATOM 0 HD22 ASN B 71 2.119 9.444 6.038 1.00 0.00 H new ATOM 1960 N ILE B 72 -0.685 8.256 3.356 1.00 0.00 N ATOM 1961 CA ILE B 72 -0.767 9.245 2.289 1.00 0.00 C ATOM 1962 C ILE B 72 -2.163 9.178 1.659 1.00 0.00 C ATOM 1963 O ILE B 72 -2.563 8.147 1.119 1.00 0.00 O ATOM 1964 CB ILE B 72 0.388 9.090 1.272 1.00 0.00 C ATOM 1965 CG1 ILE B 72 0.319 7.927 0.258 1.00 0.00 C ATOM 1966 CG2 ILE B 72 1.739 9.095 2.000 1.00 0.00 C ATOM 1967 CD1 ILE B 72 0.179 6.509 0.814 1.00 0.00 C ATOM 0 H ILE B 72 -0.711 7.298 3.007 1.00 0.00 H new ATOM 0 HA ILE B 72 -0.636 10.247 2.698 1.00 0.00 H new ATOM 0 HB ILE B 72 0.268 9.964 0.632 1.00 0.00 H new ATOM 0 HG12 ILE B 72 -0.524 8.111 -0.408 1.00 0.00 H new ATOM 0 HG13 ILE B 72 1.221 7.960 -0.353 1.00 0.00 H new ATOM 0 HG21 ILE B 72 2.544 8.985 1.274 1.00 0.00 H new ATOM 0 HG22 ILE B 72 1.860 10.036 2.536 1.00 0.00 H new ATOM 0 HG23 ILE B 72 1.774 8.267 2.708 1.00 0.00 H new ATOM 0 HD11 ILE B 72 0.143 5.797 -0.010 1.00 0.00 H new ATOM 0 HD12 ILE B 72 1.033 6.282 1.452 1.00 0.00 H new ATOM 0 HD13 ILE B 72 -0.739 6.436 1.397 1.00 0.00 H new