USER MOD reduce.3.24.130724 H: found=0, std=0, add=467, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 468 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: A 101 HIS : no HD1:sc= -0.78 X(o=-0.93,f=-0.53) USER MOD Set 1.2: A 103 MET CE :methyl 156:sc= -0.147 (180deg=-0.83) USER MOD Set 2.1: A 94 TYR OH : rot 165:sc= -0.154 USER MOD Set 2.2: A 110 LYS NZ :NH3+ -116:sc= 0 (180deg=-0.404) USER MOD Set 3.1: A 61 HIS : no HE2:sc= -6.04! C(o=-6.1!,f=-8.5!) USER MOD Set 3.2: A 116 LYS NZ :NH3+ 176:sc= -0.0752 (180deg=-0.162) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= -1.81! C(o=-1.8!,f=-7!) USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=-0.019) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 SER OG : rot 180:sc= 0.961 USER MOD Single : A 79 GLN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : A 87 GLN : amide:sc= -0.0288 K(o=-0.029,f=-1.3) USER MOD Single : A 89 THR OG1 : rot -111:sc= 1.35 USER MOD Single : A 90 CYS SG : rot 180:sc= 0 USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 LYS NZ :NH3+ 145:sc= -1.61 (180deg=-2.57!) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 GLN : amide:sc=-0.00725 X(o=-0.0073,f=-0.39) USER MOD Single : A 111 SER OG : rot 73:sc= 0.282 USER MOD Single : A 114 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 781 N ARG A 60 2.204 -9.595 -11.594 1.00 0.00 N ATOM 782 CA ARG A 60 3.162 -8.556 -11.236 1.00 0.00 C ATOM 783 C ARG A 60 3.635 -8.725 -9.795 1.00 0.00 C ATOM 784 O ARG A 60 2.903 -9.234 -8.946 1.00 0.00 O ATOM 785 CB ARG A 60 2.538 -7.171 -11.420 1.00 0.00 C ATOM 786 CG ARG A 60 3.552 -6.084 -11.738 1.00 0.00 C ATOM 787 CD ARG A 60 2.874 -4.744 -11.976 1.00 0.00 C ATOM 788 NE ARG A 60 2.030 -4.761 -13.168 1.00 0.00 N ATOM 789 CZ ARG A 60 1.477 -3.674 -13.693 1.00 0.00 C ATOM 790 NH1 ARG A 60 1.678 -2.488 -13.134 1.00 0.00 N ATOM 791 NH2 ARG A 60 0.722 -3.771 -14.780 1.00 0.00 N ATOM 0 HA ARG A 60 4.024 -8.649 -11.897 1.00 0.00 H new ATOM 0 HB2 ARG A 60 1.803 -7.217 -12.223 1.00 0.00 H new ATOM 0 HB3 ARG A 60 2.000 -6.900 -10.511 1.00 0.00 H new ATOM 0 HG2 ARG A 60 4.261 -5.994 -10.915 1.00 0.00 H new ATOM 0 HG3 ARG A 60 4.124 -6.366 -12.622 1.00 0.00 H new ATOM 0 HD2 ARG A 60 2.269 -4.485 -11.107 1.00 0.00 H new ATOM 0 HD3 ARG A 60 3.632 -3.968 -12.080 1.00 0.00 H new ATOM 0 HE ARG A 60 1.856 -5.658 -13.622 1.00 0.00 H new ATOM 0 HH11 ARG A 60 2.258 -2.410 -12.299 1.00 0.00 H new ATOM 0 HH12 ARG A 60 1.252 -1.654 -13.539 1.00 0.00 H new ATOM 0 HH21 ARG A 60 0.566 -4.681 -15.213 1.00 0.00 H new ATOM 0 HH22 ARG A 60 0.298 -2.935 -15.182 1.00 0.00 H new ATOM 805 N HIS A 61 4.865 -8.297 -9.527 1.00 0.00 N ATOM 806 CA HIS A 61 5.436 -8.401 -8.189 1.00 0.00 C ATOM 807 C HIS A 61 5.514 -7.030 -7.524 1.00 0.00 C ATOM 808 O HIS A 61 6.102 -6.097 -8.069 1.00 0.00 O ATOM 809 CB HIS A 61 6.828 -9.030 -8.254 1.00 0.00 C ATOM 810 CG HIS A 61 7.167 -9.860 -7.054 1.00 0.00 C ATOM 811 ND1 HIS A 61 8.393 -9.810 -6.426 1.00 0.00 N ATOM 812 CD2 HIS A 61 6.430 -10.764 -6.367 1.00 0.00 C ATOM 813 CE1 HIS A 61 8.397 -10.648 -5.405 1.00 0.00 C ATOM 814 NE2 HIS A 61 7.217 -11.239 -5.347 1.00 0.00 N ATOM 0 H HIS A 61 5.485 -7.875 -10.218 1.00 0.00 H new ATOM 0 HA HIS A 61 4.785 -9.039 -7.591 1.00 0.00 H new ATOM 0 HB2 HIS A 61 6.895 -9.652 -9.147 1.00 0.00 H new ATOM 0 HB3 HIS A 61 7.570 -8.239 -8.360 1.00 0.00 H new ATOM 0 HD1 HIS A 61 9.175 -9.218 -6.706 1.00 0.00 H new ATOM 0 HD2 HIS A 61 5.413 -11.057 -6.581 1.00 0.00 H new ATOM 0 HE1 HIS A 61 9.224 -10.821 -4.732 1.00 0.00 H new ATOM 823 N GLY A 62 4.916 -6.917 -6.342 1.00 0.00 N ATOM 824 CA GLY A 62 4.928 -5.657 -5.622 1.00 0.00 C ATOM 825 C GLY A 62 5.338 -5.821 -4.172 1.00 0.00 C ATOM 826 O GLY A 62 5.462 -6.942 -3.678 1.00 0.00 O ATOM 0 H GLY A 62 4.423 -7.675 -5.870 1.00 0.00 H new ATOM 0 HA2 GLY A 62 5.614 -4.967 -6.114 1.00 0.00 H new ATOM 0 HA3 GLY A 62 3.936 -5.207 -5.667 1.00 0.00 H new ATOM 830 N VAL A 63 5.551 -4.702 -3.488 1.00 0.00 N ATOM 831 CA VAL A 63 5.950 -4.726 -2.086 1.00 0.00 C ATOM 832 C VAL A 63 5.360 -3.544 -1.325 1.00 0.00 C ATOM 833 O VAL A 63 5.459 -2.399 -1.765 1.00 0.00 O ATOM 834 CB VAL A 63 7.483 -4.704 -1.938 1.00 0.00 C ATOM 835 CG1 VAL A 63 7.880 -4.208 -0.556 1.00 0.00 C ATOM 836 CG2 VAL A 63 8.064 -6.084 -2.206 1.00 0.00 C ATOM 0 H VAL A 63 5.454 -3.766 -3.882 1.00 0.00 H new ATOM 0 HA VAL A 63 5.565 -5.654 -1.664 1.00 0.00 H new ATOM 0 HB VAL A 63 7.892 -4.014 -2.676 1.00 0.00 H new ATOM 0 HG11 VAL A 63 8.967 -4.200 -0.471 1.00 0.00 H new ATOM 0 HG12 VAL A 63 7.497 -3.199 -0.408 1.00 0.00 H new ATOM 0 HG13 VAL A 63 7.462 -4.870 0.202 1.00 0.00 H new ATOM 0 HG21 VAL A 63 9.148 -6.050 -2.097 1.00 0.00 H new ATOM 0 HG22 VAL A 63 7.650 -6.798 -1.494 1.00 0.00 H new ATOM 0 HG23 VAL A 63 7.811 -6.395 -3.220 1.00 0.00 H new ATOM 846 N ALA A 64 4.747 -3.830 -0.182 1.00 0.00 N ATOM 847 CA ALA A 64 4.142 -2.790 0.642 1.00 0.00 C ATOM 848 C ALA A 64 5.206 -1.870 1.232 1.00 0.00 C ATOM 849 O ALA A 64 6.138 -2.328 1.893 1.00 0.00 O ATOM 850 CB ALA A 64 3.307 -3.414 1.750 1.00 0.00 C ATOM 0 H ALA A 64 4.656 -4.773 0.195 1.00 0.00 H new ATOM 0 HA ALA A 64 3.491 -2.189 0.007 1.00 0.00 H new ATOM 0 HB1 ALA A 64 2.861 -2.626 2.357 1.00 0.00 H new ATOM 0 HB2 ALA A 64 2.518 -4.024 1.311 1.00 0.00 H new ATOM 0 HB3 ALA A 64 3.943 -4.039 2.377 1.00 0.00 H new ATOM 856 N ILE A 65 5.060 -0.572 0.988 1.00 0.00 N ATOM 857 CA ILE A 65 6.008 0.411 1.495 1.00 0.00 C ATOM 858 C ILE A 65 5.431 1.166 2.688 1.00 0.00 C ATOM 859 O ILE A 65 6.167 1.771 3.469 1.00 0.00 O ATOM 860 CB ILE A 65 6.407 1.424 0.405 1.00 0.00 C ATOM 861 CG1 ILE A 65 5.161 2.087 -0.186 1.00 0.00 C ATOM 862 CG2 ILE A 65 7.216 0.737 -0.685 1.00 0.00 C ATOM 863 CD1 ILE A 65 5.474 3.171 -1.193 1.00 0.00 C ATOM 0 H ILE A 65 4.294 -0.177 0.442 1.00 0.00 H new ATOM 0 HA ILE A 65 6.895 -0.139 1.810 1.00 0.00 H new ATOM 0 HB ILE A 65 7.027 2.198 0.858 1.00 0.00 H new ATOM 0 HG12 ILE A 65 4.546 1.325 -0.664 1.00 0.00 H new ATOM 0 HG13 ILE A 65 4.568 2.514 0.623 1.00 0.00 H new ATOM 0 HG21 ILE A 65 7.491 1.465 -1.448 1.00 0.00 H new ATOM 0 HG22 ILE A 65 8.119 0.307 -0.252 1.00 0.00 H new ATOM 0 HG23 ILE A 65 6.619 -0.055 -1.137 1.00 0.00 H new ATOM 0 HD11 ILE A 65 4.544 3.597 -1.570 1.00 0.00 H new ATOM 0 HD12 ILE A 65 6.063 3.953 -0.714 1.00 0.00 H new ATOM 0 HD13 ILE A 65 6.041 2.746 -2.021 1.00 0.00 H new ATOM 875 N TYR A 66 4.110 1.126 2.824 1.00 0.00 N ATOM 876 CA TYR A 66 3.433 1.807 3.921 1.00 0.00 C ATOM 877 C TYR A 66 2.416 0.887 4.589 1.00 0.00 C ATOM 878 O TYR A 66 1.577 0.284 3.922 1.00 0.00 O ATOM 879 CB TYR A 66 2.738 3.071 3.413 1.00 0.00 C ATOM 880 CG TYR A 66 3.690 4.205 3.106 1.00 0.00 C ATOM 881 CD1 TYR A 66 4.424 4.815 4.116 1.00 0.00 C ATOM 882 CD2 TYR A 66 3.857 4.664 1.805 1.00 0.00 C ATOM 883 CE1 TYR A 66 5.295 5.851 3.839 1.00 0.00 C ATOM 884 CE2 TYR A 66 4.727 5.699 1.519 1.00 0.00 C ATOM 885 CZ TYR A 66 5.443 6.290 2.540 1.00 0.00 C ATOM 886 OH TYR A 66 6.310 7.321 2.260 1.00 0.00 O ATOM 0 H TYR A 66 3.487 0.629 2.188 1.00 0.00 H new ATOM 0 HA TYR A 66 4.184 2.086 4.660 1.00 0.00 H new ATOM 0 HB2 TYR A 66 2.174 2.828 2.513 1.00 0.00 H new ATOM 0 HB3 TYR A 66 2.018 3.405 4.160 1.00 0.00 H new ATOM 0 HD1 TYR A 66 4.312 4.474 5.134 1.00 0.00 H new ATOM 0 HD2 TYR A 66 3.297 4.204 1.004 1.00 0.00 H new ATOM 0 HE1 TYR A 66 5.857 6.315 4.636 1.00 0.00 H new ATOM 0 HE2 TYR A 66 4.846 6.043 0.502 1.00 0.00 H new ATOM 0 HH TYR A 66 6.297 7.507 1.298 1.00 0.00 H new ATOM 896 N ASN A 67 2.499 0.785 5.911 1.00 0.00 N ATOM 897 CA ASN A 67 1.586 -0.061 6.671 1.00 0.00 C ATOM 898 C ASN A 67 0.137 0.354 6.437 1.00 0.00 C ATOM 899 O ASN A 67 -0.309 1.393 6.923 1.00 0.00 O ATOM 900 CB ASN A 67 1.913 0.011 8.164 1.00 0.00 C ATOM 901 CG ASN A 67 2.938 -1.026 8.582 1.00 0.00 C ATOM 902 OD1 ASN A 67 2.890 -2.175 8.142 1.00 0.00 O ATOM 903 ND2 ASN A 67 3.872 -0.624 9.436 1.00 0.00 N ATOM 0 H ASN A 67 3.189 1.277 6.478 1.00 0.00 H new ATOM 0 HA ASN A 67 1.712 -1.088 6.327 1.00 0.00 H new ATOM 0 HB2 ASN A 67 2.288 1.006 8.403 1.00 0.00 H new ATOM 0 HB3 ASN A 67 0.999 -0.132 8.741 1.00 0.00 H new ATOM 0 HD21 ASN A 67 4.588 -1.277 9.753 1.00 0.00 H new ATOM 0 HD22 ASN A 67 3.873 0.338 9.775 1.00 0.00 H new ATOM 910 N PHE A 68 -0.594 -0.466 5.689 1.00 0.00 N ATOM 911 CA PHE A 68 -1.993 -0.185 5.389 1.00 0.00 C ATOM 912 C PHE A 68 -2.917 -1.012 6.277 1.00 0.00 C ATOM 913 O PHE A 68 -2.789 -2.234 6.355 1.00 0.00 O ATOM 914 CB PHE A 68 -2.289 -0.475 3.916 1.00 0.00 C ATOM 915 CG PHE A 68 -3.721 -0.228 3.532 1.00 0.00 C ATOM 916 CD1 PHE A 68 -4.227 1.061 3.486 1.00 0.00 C ATOM 917 CD2 PHE A 68 -4.560 -1.284 3.218 1.00 0.00 C ATOM 918 CE1 PHE A 68 -5.543 1.291 3.134 1.00 0.00 C ATOM 919 CE2 PHE A 68 -5.877 -1.061 2.865 1.00 0.00 C ATOM 920 CZ PHE A 68 -6.369 0.229 2.822 1.00 0.00 C ATOM 0 H PHE A 68 -0.241 -1.331 5.279 1.00 0.00 H new ATOM 0 HA PHE A 68 -2.176 0.871 5.589 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -1.643 0.145 3.295 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -2.037 -1.513 3.701 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -3.585 1.895 3.728 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -4.180 -2.294 3.249 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -5.926 2.300 3.103 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -6.521 -1.894 2.623 1.00 0.00 H new ATOM 0 HZ PHE A 68 -7.398 0.407 2.545 1.00 0.00 H new ATOM 930 N GLN A 69 -3.846 -0.337 6.946 1.00 0.00 N ATOM 931 CA GLN A 69 -4.791 -1.010 7.830 1.00 0.00 C ATOM 932 C GLN A 69 -6.221 -0.844 7.327 1.00 0.00 C ATOM 933 O GLN A 69 -6.780 0.252 7.366 1.00 0.00 O ATOM 934 CB GLN A 69 -4.671 -0.460 9.253 1.00 0.00 C ATOM 935 CG GLN A 69 -5.618 -1.119 10.242 1.00 0.00 C ATOM 936 CD GLN A 69 -5.494 -0.545 11.639 1.00 0.00 C ATOM 937 OE1 GLN A 69 -5.576 0.668 11.834 1.00 0.00 O ATOM 938 NE2 GLN A 69 -5.296 -1.416 12.622 1.00 0.00 N ATOM 0 H GLN A 69 -3.965 0.675 6.893 1.00 0.00 H new ATOM 0 HA GLN A 69 -4.549 -2.073 7.837 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -3.646 -0.593 9.600 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -4.865 0.612 9.237 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -6.644 -0.998 9.893 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -5.417 -2.190 10.274 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -5.234 -2.413 12.415 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -5.206 -1.088 13.584 1.00 0.00 H new ATOM 947 N GLY A 70 -6.808 -1.939 6.854 1.00 0.00 N ATOM 948 CA GLY A 70 -8.168 -1.893 6.349 1.00 0.00 C ATOM 949 C GLY A 70 -9.174 -2.436 7.345 1.00 0.00 C ATOM 950 O GLY A 70 -8.859 -2.615 8.521 1.00 0.00 O ATOM 0 H GLY A 70 -6.366 -2.857 6.811 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -8.426 -0.863 6.101 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -8.229 -2.468 5.425 1.00 0.00 H new ATOM 954 N SER A 71 -10.389 -2.696 6.873 1.00 0.00 N ATOM 955 CA SER A 71 -11.447 -3.216 7.731 1.00 0.00 C ATOM 956 C SER A 71 -11.907 -4.591 7.254 1.00 0.00 C ATOM 957 O SER A 71 -12.017 -5.529 8.042 1.00 0.00 O ATOM 958 CB SER A 71 -12.633 -2.250 7.757 1.00 0.00 C ATOM 959 OG SER A 71 -13.555 -2.601 8.775 1.00 0.00 O ATOM 0 H SER A 71 -10.665 -2.555 5.901 1.00 0.00 H new ATOM 0 HA SER A 71 -11.046 -3.316 8.740 1.00 0.00 H new ATOM 0 HB2 SER A 71 -12.275 -1.234 7.921 1.00 0.00 H new ATOM 0 HB3 SER A 71 -13.134 -2.259 6.789 1.00 0.00 H new ATOM 0 HG SER A 71 -14.303 -1.968 8.772 1.00 0.00 H new ATOM 965 N GLY A 72 -12.173 -4.702 5.956 1.00 0.00 N ATOM 966 CA GLY A 72 -12.618 -5.964 5.395 1.00 0.00 C ATOM 967 C GLY A 72 -12.918 -5.866 3.913 1.00 0.00 C ATOM 968 O GLY A 72 -13.167 -4.778 3.393 1.00 0.00 O ATOM 0 H GLY A 72 -12.088 -3.940 5.283 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -11.851 -6.721 5.558 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -13.512 -6.297 5.922 1.00 0.00 H new ATOM 972 N ALA A 73 -12.894 -7.006 3.229 1.00 0.00 N ATOM 973 CA ALA A 73 -13.167 -7.044 1.798 1.00 0.00 C ATOM 974 C ALA A 73 -14.262 -6.052 1.421 1.00 0.00 C ATOM 975 O ALA A 73 -15.162 -5.756 2.207 1.00 0.00 O ATOM 976 CB ALA A 73 -13.557 -8.451 1.372 1.00 0.00 C ATOM 0 H ALA A 73 -12.688 -7.915 3.643 1.00 0.00 H new ATOM 0 HA ALA A 73 -12.257 -6.757 1.272 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -13.758 -8.464 0.301 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -12.741 -9.138 1.597 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -14.451 -8.760 1.913 1.00 0.00 H new ATOM 982 N PRO A 74 -14.186 -5.525 0.190 1.00 0.00 N ATOM 983 CA PRO A 74 -13.119 -5.869 -0.754 1.00 0.00 C ATOM 984 C PRO A 74 -11.765 -5.313 -0.326 1.00 0.00 C ATOM 985 O PRO A 74 -10.737 -5.628 -0.926 1.00 0.00 O ATOM 986 CB PRO A 74 -13.576 -5.215 -2.061 1.00 0.00 C ATOM 987 CG PRO A 74 -14.455 -4.090 -1.634 1.00 0.00 C ATOM 988 CD PRO A 74 -15.136 -4.551 -0.375 1.00 0.00 C ATOM 0 HA PRO A 74 -12.973 -6.947 -0.829 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -12.727 -4.855 -2.642 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -14.116 -5.923 -2.690 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -13.873 -3.186 -1.454 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -15.185 -3.850 -2.407 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -15.317 -3.723 0.310 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -16.103 -5.008 -0.585 1.00 0.00 H new ATOM 996 N GLN A 75 -11.772 -4.486 0.714 1.00 0.00 N ATOM 997 CA GLN A 75 -10.543 -3.887 1.222 1.00 0.00 C ATOM 998 C GLN A 75 -9.662 -4.937 1.890 1.00 0.00 C ATOM 999 O GLN A 75 -10.149 -5.791 2.633 1.00 0.00 O ATOM 1000 CB GLN A 75 -10.868 -2.770 2.214 1.00 0.00 C ATOM 1001 CG GLN A 75 -11.131 -1.427 1.553 1.00 0.00 C ATOM 1002 CD GLN A 75 -12.030 -0.533 2.385 1.00 0.00 C ATOM 1003 OE1 GLN A 75 -11.606 0.024 3.398 1.00 0.00 O ATOM 1004 NE2 GLN A 75 -13.280 -0.390 1.960 1.00 0.00 N ATOM 0 H GLN A 75 -12.614 -4.215 1.221 1.00 0.00 H new ATOM 0 HA GLN A 75 -9.997 -3.466 0.378 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -11.743 -3.056 2.797 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -10.039 -2.665 2.914 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -10.182 -0.920 1.379 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -11.589 -1.590 0.578 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -13.589 -0.870 1.115 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -13.931 0.200 2.479 1.00 0.00 H new ATOM 1013 N LEU A 76 -8.362 -4.869 1.623 1.00 0.00 N ATOM 1014 CA LEU A 76 -7.412 -5.814 2.199 1.00 0.00 C ATOM 1015 C LEU A 76 -6.278 -5.081 2.910 1.00 0.00 C ATOM 1016 O LEU A 76 -5.786 -4.061 2.428 1.00 0.00 O ATOM 1017 CB LEU A 76 -6.841 -6.722 1.108 1.00 0.00 C ATOM 1018 CG LEU A 76 -5.603 -7.534 1.490 1.00 0.00 C ATOM 1019 CD1 LEU A 76 -6.003 -8.803 2.227 1.00 0.00 C ATOM 1020 CD2 LEU A 76 -4.783 -7.870 0.253 1.00 0.00 C ATOM 0 H LEU A 76 -7.942 -4.169 1.011 1.00 0.00 H new ATOM 0 HA LEU A 76 -7.942 -6.424 2.931 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -7.622 -7.414 0.794 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -6.594 -6.106 0.243 1.00 0.00 H new ATOM 0 HG LEU A 76 -4.988 -6.930 2.157 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -5.109 -9.368 2.491 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -6.547 -8.541 3.134 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -6.640 -9.411 1.585 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -3.906 -8.448 0.544 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -5.390 -8.455 -0.438 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -4.465 -6.948 -0.234 1.00 0.00 H new ATOM 1032 N SER A 77 -5.868 -5.609 4.059 1.00 0.00 N ATOM 1033 CA SER A 77 -4.794 -5.005 4.838 1.00 0.00 C ATOM 1034 C SER A 77 -3.430 -5.406 4.285 1.00 0.00 C ATOM 1035 O SER A 77 -3.294 -6.437 3.625 1.00 0.00 O ATOM 1036 CB SER A 77 -4.905 -5.419 6.306 1.00 0.00 C ATOM 1037 OG SER A 77 -5.777 -4.557 7.016 1.00 0.00 O ATOM 0 H SER A 77 -6.264 -6.454 4.471 1.00 0.00 H new ATOM 0 HA SER A 77 -4.891 -3.922 4.766 1.00 0.00 H new ATOM 0 HB2 SER A 77 -5.270 -6.444 6.371 1.00 0.00 H new ATOM 0 HB3 SER A 77 -3.918 -5.402 6.767 1.00 0.00 H new ATOM 0 HG SER A 77 -5.831 -4.845 7.951 1.00 0.00 H new ATOM 1043 N LEU A 78 -2.422 -4.585 4.560 1.00 0.00 N ATOM 1044 CA LEU A 78 -1.067 -4.854 4.091 1.00 0.00 C ATOM 1045 C LEU A 78 -0.036 -4.416 5.127 1.00 0.00 C ATOM 1046 O LEU A 78 -0.310 -3.556 5.963 1.00 0.00 O ATOM 1047 CB LEU A 78 -0.813 -4.133 2.766 1.00 0.00 C ATOM 1048 CG LEU A 78 -1.338 -4.831 1.511 1.00 0.00 C ATOM 1049 CD1 LEU A 78 -1.039 -4.000 0.273 1.00 0.00 C ATOM 1050 CD2 LEU A 78 -0.734 -6.222 1.381 1.00 0.00 C ATOM 0 H LEU A 78 -2.517 -3.728 5.105 1.00 0.00 H new ATOM 0 HA LEU A 78 -0.968 -5.929 3.938 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -1.264 -3.142 2.822 1.00 0.00 H new ATOM 0 HB3 LEU A 78 0.262 -3.988 2.654 1.00 0.00 H new ATOM 0 HG LEU A 78 -2.419 -4.934 1.602 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -1.420 -4.513 -0.610 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -1.521 -3.026 0.363 1.00 0.00 H new ATOM 0 HD13 LEU A 78 0.038 -3.864 0.177 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -1.119 -6.703 0.482 1.00 0.00 H new ATOM 0 HD22 LEU A 78 0.351 -6.143 1.313 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -1.001 -6.817 2.254 1.00 0.00 H new ATOM 1062 N GLN A 79 1.149 -5.013 5.062 1.00 0.00 N ATOM 1063 CA GLN A 79 2.222 -4.684 5.994 1.00 0.00 C ATOM 1064 C GLN A 79 3.510 -4.356 5.247 1.00 0.00 C ATOM 1065 O GLN A 79 3.854 -5.014 4.264 1.00 0.00 O ATOM 1066 CB GLN A 79 2.460 -5.844 6.961 1.00 0.00 C ATOM 1067 CG GLN A 79 1.603 -5.777 8.215 1.00 0.00 C ATOM 1068 CD GLN A 79 1.920 -6.886 9.199 1.00 0.00 C ATOM 1069 OE1 GLN A 79 2.371 -7.965 8.812 1.00 0.00 O ATOM 1070 NE2 GLN A 79 1.685 -6.626 10.480 1.00 0.00 N ATOM 0 H GLN A 79 1.391 -5.727 4.375 1.00 0.00 H new ATOM 0 HA GLN A 79 1.919 -3.804 6.562 1.00 0.00 H new ATOM 0 HB2 GLN A 79 2.261 -6.783 6.445 1.00 0.00 H new ATOM 0 HB3 GLN A 79 3.511 -5.856 7.250 1.00 0.00 H new ATOM 0 HG2 GLN A 79 1.751 -4.812 8.701 1.00 0.00 H new ATOM 0 HG3 GLN A 79 0.551 -5.835 7.935 1.00 0.00 H new ATOM 0 HE21 GLN A 79 1.311 -5.718 10.756 1.00 0.00 H new ATOM 0 HE22 GLN A 79 1.879 -7.334 11.188 1.00 0.00 H new ATOM 1079 N ILE A 80 4.219 -3.336 5.718 1.00 0.00 N ATOM 1080 CA ILE A 80 5.470 -2.922 5.095 1.00 0.00 C ATOM 1081 C ILE A 80 6.427 -4.100 4.948 1.00 0.00 C ATOM 1082 O ILE A 80 6.569 -4.915 5.859 1.00 0.00 O ATOM 1083 CB ILE A 80 6.162 -1.811 5.906 1.00 0.00 C ATOM 1084 CG1 ILE A 80 5.203 -0.639 6.128 1.00 0.00 C ATOM 1085 CG2 ILE A 80 7.422 -1.343 5.194 1.00 0.00 C ATOM 1086 CD1 ILE A 80 5.792 0.472 6.968 1.00 0.00 C ATOM 0 H ILE A 80 3.948 -2.781 6.530 1.00 0.00 H new ATOM 0 HA ILE A 80 5.218 -2.536 4.107 1.00 0.00 H new ATOM 0 HB ILE A 80 6.445 -2.214 6.878 1.00 0.00 H new ATOM 0 HG12 ILE A 80 4.907 -0.234 5.160 1.00 0.00 H new ATOM 0 HG13 ILE A 80 4.297 -1.007 6.610 1.00 0.00 H new ATOM 0 HG21 ILE A 80 7.900 -0.558 5.779 1.00 0.00 H new ATOM 0 HG22 ILE A 80 8.109 -2.182 5.082 1.00 0.00 H new ATOM 0 HG23 ILE A 80 7.161 -0.954 4.210 1.00 0.00 H new ATOM 0 HD11 ILE A 80 5.057 1.269 7.084 1.00 0.00 H new ATOM 0 HD12 ILE A 80 6.063 0.082 7.949 1.00 0.00 H new ATOM 0 HD13 ILE A 80 6.681 0.867 6.477 1.00 0.00 H new ATOM 1098 N GLY A 81 7.083 -4.183 3.795 1.00 0.00 N ATOM 1099 CA GLY A 81 8.020 -5.264 3.550 1.00 0.00 C ATOM 1100 C GLY A 81 7.326 -6.559 3.179 1.00 0.00 C ATOM 1101 O GLY A 81 7.935 -7.629 3.212 1.00 0.00 O ATOM 0 H GLY A 81 6.982 -3.521 3.026 1.00 0.00 H new ATOM 0 HA2 GLY A 81 8.700 -4.977 2.748 1.00 0.00 H new ATOM 0 HA3 GLY A 81 8.628 -5.423 4.441 1.00 0.00 H new ATOM 1105 N ASP A 82 6.049 -6.465 2.826 1.00 0.00 N ATOM 1106 CA ASP A 82 5.272 -7.639 2.448 1.00 0.00 C ATOM 1107 C ASP A 82 5.026 -7.667 0.942 1.00 0.00 C ATOM 1108 O ASP A 82 4.631 -6.663 0.349 1.00 0.00 O ATOM 1109 CB ASP A 82 3.937 -7.656 3.195 1.00 0.00 C ATOM 1110 CG ASP A 82 4.116 -7.757 4.697 1.00 0.00 C ATOM 1111 OD1 ASP A 82 4.962 -7.020 5.244 1.00 0.00 O ATOM 1112 OD2 ASP A 82 3.410 -8.574 5.325 1.00 0.00 O ATOM 0 H ASP A 82 5.530 -5.588 2.794 1.00 0.00 H new ATOM 0 HA ASP A 82 5.844 -8.526 2.721 1.00 0.00 H new ATOM 0 HB2 ASP A 82 3.380 -6.749 2.958 1.00 0.00 H new ATOM 0 HB3 ASP A 82 3.339 -8.498 2.846 1.00 0.00 H new ATOM 1117 N VAL A 83 5.265 -8.822 0.330 1.00 0.00 N ATOM 1118 CA VAL A 83 5.070 -8.981 -1.106 1.00 0.00 C ATOM 1119 C VAL A 83 3.714 -9.607 -1.411 1.00 0.00 C ATOM 1120 O VAL A 83 3.337 -10.617 -0.817 1.00 0.00 O ATOM 1121 CB VAL A 83 6.177 -9.852 -1.730 1.00 0.00 C ATOM 1122 CG1 VAL A 83 5.878 -10.128 -3.195 1.00 0.00 C ATOM 1123 CG2 VAL A 83 7.534 -9.182 -1.571 1.00 0.00 C ATOM 0 H VAL A 83 5.594 -9.662 0.806 1.00 0.00 H new ATOM 0 HA VAL A 83 5.113 -7.983 -1.543 1.00 0.00 H new ATOM 0 HB VAL A 83 6.204 -10.806 -1.204 1.00 0.00 H new ATOM 0 HG11 VAL A 83 6.671 -10.744 -3.618 1.00 0.00 H new ATOM 0 HG12 VAL A 83 4.926 -10.653 -3.280 1.00 0.00 H new ATOM 0 HG13 VAL A 83 5.822 -9.185 -3.739 1.00 0.00 H new ATOM 0 HG21 VAL A 83 8.305 -9.811 -2.017 1.00 0.00 H new ATOM 0 HG22 VAL A 83 7.522 -8.213 -2.070 1.00 0.00 H new ATOM 0 HG23 VAL A 83 7.749 -9.042 -0.512 1.00 0.00 H new ATOM 1133 N VAL A 84 2.984 -9.001 -2.342 1.00 0.00 N ATOM 1134 CA VAL A 84 1.670 -9.499 -2.727 1.00 0.00 C ATOM 1135 C VAL A 84 1.624 -9.835 -4.214 1.00 0.00 C ATOM 1136 O VAL A 84 2.217 -9.138 -5.037 1.00 0.00 O ATOM 1137 CB VAL A 84 0.565 -8.474 -2.410 1.00 0.00 C ATOM 1138 CG1 VAL A 84 0.441 -8.270 -0.908 1.00 0.00 C ATOM 1139 CG2 VAL A 84 0.845 -7.154 -3.113 1.00 0.00 C ATOM 0 H VAL A 84 3.281 -8.164 -2.843 1.00 0.00 H new ATOM 0 HA VAL A 84 1.493 -10.404 -2.146 1.00 0.00 H new ATOM 0 HB VAL A 84 -0.384 -8.863 -2.780 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -0.345 -7.543 -0.703 1.00 0.00 H new ATOM 0 HG12 VAL A 84 0.191 -9.218 -0.431 1.00 0.00 H new ATOM 0 HG13 VAL A 84 1.388 -7.903 -0.511 1.00 0.00 H new ATOM 0 HG21 VAL A 84 0.054 -6.442 -2.878 1.00 0.00 H new ATOM 0 HG22 VAL A 84 1.803 -6.758 -2.775 1.00 0.00 H new ATOM 0 HG23 VAL A 84 0.879 -7.316 -4.190 1.00 0.00 H new ATOM 1149 N ARG A 85 0.915 -10.908 -4.551 1.00 0.00 N ATOM 1150 CA ARG A 85 0.792 -11.337 -5.938 1.00 0.00 C ATOM 1151 C ARG A 85 -0.329 -10.580 -6.645 1.00 0.00 C ATOM 1152 O ARG A 85 -1.509 -10.861 -6.434 1.00 0.00 O ATOM 1153 CB ARG A 85 0.527 -12.842 -6.007 1.00 0.00 C ATOM 1154 CG ARG A 85 0.937 -13.473 -7.328 1.00 0.00 C ATOM 1155 CD ARG A 85 2.423 -13.797 -7.353 1.00 0.00 C ATOM 1156 NE ARG A 85 2.826 -14.423 -8.610 1.00 0.00 N ATOM 1157 CZ ARG A 85 3.996 -15.025 -8.789 1.00 0.00 C ATOM 1158 NH1 ARG A 85 4.874 -15.084 -7.797 1.00 0.00 N ATOM 1159 NH2 ARG A 85 4.289 -15.572 -9.962 1.00 0.00 N ATOM 0 H ARG A 85 0.417 -11.496 -3.882 1.00 0.00 H new ATOM 0 HA ARG A 85 1.732 -11.116 -6.444 1.00 0.00 H new ATOM 0 HB2 ARG A 85 1.064 -13.334 -5.197 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -0.535 -13.023 -5.842 1.00 0.00 H new ATOM 0 HG2 ARG A 85 0.362 -14.384 -7.491 1.00 0.00 H new ATOM 0 HG3 ARG A 85 0.698 -12.794 -8.147 1.00 0.00 H new ATOM 0 HD2 ARG A 85 2.996 -12.882 -7.204 1.00 0.00 H new ATOM 0 HD3 ARG A 85 2.663 -14.462 -6.524 1.00 0.00 H new ATOM 0 HE ARG A 85 2.173 -14.396 -9.393 1.00 0.00 H new ATOM 0 HH11 ARG A 85 4.651 -14.666 -6.893 1.00 0.00 H new ATOM 0 HH12 ARG A 85 5.772 -15.547 -7.938 1.00 0.00 H new ATOM 0 HH21 ARG A 85 3.615 -15.530 -10.727 1.00 0.00 H new ATOM 0 HH22 ARG A 85 5.188 -16.034 -10.099 1.00 0.00 H new ATOM 1173 N ILE A 86 0.049 -9.620 -7.482 1.00 0.00 N ATOM 1174 CA ILE A 86 -0.924 -8.823 -8.219 1.00 0.00 C ATOM 1175 C ILE A 86 -1.527 -9.620 -9.371 1.00 0.00 C ATOM 1176 O ILE A 86 -0.808 -10.249 -10.146 1.00 0.00 O ATOM 1177 CB ILE A 86 -0.291 -7.535 -8.776 1.00 0.00 C ATOM 1178 CG1 ILE A 86 0.227 -6.659 -7.633 1.00 0.00 C ATOM 1179 CG2 ILE A 86 -1.300 -6.771 -9.621 1.00 0.00 C ATOM 1180 CD1 ILE A 86 1.148 -5.550 -8.091 1.00 0.00 C ATOM 0 H ILE A 86 1.022 -9.375 -7.667 1.00 0.00 H new ATOM 0 HA ILE A 86 -1.711 -8.555 -7.514 1.00 0.00 H new ATOM 0 HB ILE A 86 0.552 -7.808 -9.410 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -0.622 -6.221 -7.108 1.00 0.00 H new ATOM 0 HG13 ILE A 86 0.756 -7.287 -6.916 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -0.837 -5.863 -10.008 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -1.625 -7.396 -10.453 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -2.162 -6.507 -9.008 1.00 0.00 H new ATOM 0 HD11 ILE A 86 1.476 -4.970 -7.228 1.00 0.00 H new ATOM 0 HD12 ILE A 86 2.016 -5.981 -8.590 1.00 0.00 H new ATOM 0 HD13 ILE A 86 0.616 -4.899 -8.785 1.00 0.00 H new ATOM 1192 N GLN A 87 -2.852 -9.586 -9.477 1.00 0.00 N ATOM 1193 CA GLN A 87 -3.551 -10.304 -10.536 1.00 0.00 C ATOM 1194 C GLN A 87 -4.301 -9.337 -11.446 1.00 0.00 C ATOM 1195 O GLN A 87 -4.447 -9.583 -12.643 1.00 0.00 O ATOM 1196 CB GLN A 87 -4.526 -11.318 -9.936 1.00 0.00 C ATOM 1197 CG GLN A 87 -3.883 -12.256 -8.927 1.00 0.00 C ATOM 1198 CD GLN A 87 -3.307 -13.501 -9.573 1.00 0.00 C ATOM 1199 OE1 GLN A 87 -3.224 -13.598 -10.797 1.00 0.00 O ATOM 1200 NE2 GLN A 87 -2.906 -14.464 -8.750 1.00 0.00 N ATOM 0 H GLN A 87 -3.462 -9.070 -8.843 1.00 0.00 H new ATOM 0 HA GLN A 87 -2.808 -10.834 -11.133 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -5.343 -10.782 -9.452 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -4.964 -11.908 -10.741 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -3.091 -11.726 -8.397 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -4.625 -12.547 -8.183 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -2.993 -14.342 -7.741 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -2.511 -15.325 -9.127 1.00 0.00 H new ATOM 1209 N GLU A 88 -4.775 -8.237 -10.870 1.00 0.00 N ATOM 1210 CA GLU A 88 -5.512 -7.233 -11.630 1.00 0.00 C ATOM 1211 C GLU A 88 -5.241 -5.833 -11.088 1.00 0.00 C ATOM 1212 O GLU A 88 -5.056 -5.645 -9.885 1.00 0.00 O ATOM 1213 CB GLU A 88 -7.012 -7.528 -11.585 1.00 0.00 C ATOM 1214 CG GLU A 88 -7.768 -7.021 -12.802 1.00 0.00 C ATOM 1215 CD GLU A 88 -7.502 -7.851 -14.043 1.00 0.00 C ATOM 1216 OE1 GLU A 88 -6.540 -7.535 -14.774 1.00 0.00 O ATOM 1217 OE2 GLU A 88 -8.256 -8.818 -14.282 1.00 0.00 O ATOM 0 H GLU A 88 -4.662 -8.018 -9.880 1.00 0.00 H new ATOM 0 HA GLU A 88 -5.172 -7.275 -12.665 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -7.160 -8.604 -11.498 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -7.436 -7.075 -10.689 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -8.837 -7.026 -12.589 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -7.486 -5.986 -12.995 1.00 0.00 H new ATOM 1224 N THR A 89 -5.218 -4.852 -11.985 1.00 0.00 N ATOM 1225 CA THR A 89 -4.968 -3.469 -11.598 1.00 0.00 C ATOM 1226 C THR A 89 -6.013 -2.534 -12.196 1.00 0.00 C ATOM 1227 O THR A 89 -6.124 -2.411 -13.416 1.00 0.00 O ATOM 1228 CB THR A 89 -3.567 -3.006 -12.042 1.00 0.00 C ATOM 1229 OG1 THR A 89 -2.566 -3.853 -11.467 1.00 0.00 O ATOM 1230 CG2 THR A 89 -3.318 -1.564 -11.627 1.00 0.00 C ATOM 0 H THR A 89 -5.369 -4.990 -12.984 1.00 0.00 H new ATOM 0 HA THR A 89 -5.028 -3.429 -10.510 1.00 0.00 H new ATOM 0 HB THR A 89 -3.515 -3.069 -13.129 1.00 0.00 H new ATOM 0 HG1 THR A 89 -2.056 -3.349 -10.799 1.00 0.00 H new ATOM 0 HG21 THR A 89 -2.323 -1.259 -11.951 1.00 0.00 H new ATOM 0 HG22 THR A 89 -4.064 -0.918 -12.090 1.00 0.00 H new ATOM 0 HG23 THR A 89 -3.388 -1.480 -10.542 1.00 0.00 H new ATOM 1238 N CYS A 90 -6.776 -1.876 -11.330 1.00 0.00 N ATOM 1239 CA CYS A 90 -7.813 -0.951 -11.773 1.00 0.00 C ATOM 1240 C CYS A 90 -7.619 0.425 -11.144 1.00 0.00 C ATOM 1241 O CYS A 90 -7.295 0.539 -9.963 1.00 0.00 O ATOM 1242 CB CYS A 90 -9.197 -1.497 -11.419 1.00 0.00 C ATOM 1243 SG CYS A 90 -9.711 -2.912 -12.420 1.00 0.00 S ATOM 0 H CYS A 90 -6.696 -1.966 -10.317 1.00 0.00 H new ATOM 0 HA CYS A 90 -7.737 -0.849 -12.856 1.00 0.00 H new ATOM 0 HB2 CYS A 90 -9.203 -1.787 -10.368 1.00 0.00 H new ATOM 0 HB3 CYS A 90 -9.931 -0.699 -11.533 1.00 0.00 H new ATOM 0 HG CYS A 90 -10.892 -3.303 -12.044 1.00 0.00 H new ATOM 1249 N GLY A 91 -7.818 1.469 -11.943 1.00 0.00 N ATOM 1250 CA GLY A 91 -7.658 2.823 -11.448 1.00 0.00 C ATOM 1251 C GLY A 91 -6.374 3.007 -10.665 1.00 0.00 C ATOM 1252 O GLY A 91 -5.287 2.716 -11.165 1.00 0.00 O ATOM 0 H GLY A 91 -8.087 1.401 -12.924 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -7.670 3.517 -12.288 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -8.507 3.077 -10.813 1.00 0.00 H new ATOM 1256 N ASP A 92 -6.497 3.491 -9.434 1.00 0.00 N ATOM 1257 CA ASP A 92 -5.336 3.714 -8.580 1.00 0.00 C ATOM 1258 C ASP A 92 -5.275 2.675 -7.464 1.00 0.00 C ATOM 1259 O ASP A 92 -4.723 2.931 -6.394 1.00 0.00 O ATOM 1260 CB ASP A 92 -5.379 5.121 -7.982 1.00 0.00 C ATOM 1261 CG ASP A 92 -4.846 6.172 -8.935 1.00 0.00 C ATOM 1262 OD1 ASP A 92 -3.610 6.264 -9.087 1.00 0.00 O ATOM 1263 OD2 ASP A 92 -5.665 6.902 -9.531 1.00 0.00 O ATOM 0 H ASP A 92 -7.389 3.737 -9.005 1.00 0.00 H new ATOM 0 HA ASP A 92 -4.440 3.616 -9.193 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -6.406 5.367 -7.712 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -4.795 5.139 -7.062 1.00 0.00 H new ATOM 1268 N TRP A 93 -5.847 1.504 -7.722 1.00 0.00 N ATOM 1269 CA TRP A 93 -5.858 0.427 -6.738 1.00 0.00 C ATOM 1270 C TRP A 93 -5.448 -0.896 -7.376 1.00 0.00 C ATOM 1271 O TRP A 93 -5.757 -1.158 -8.538 1.00 0.00 O ATOM 1272 CB TRP A 93 -7.247 0.296 -6.111 1.00 0.00 C ATOM 1273 CG TRP A 93 -7.628 1.471 -5.262 1.00 0.00 C ATOM 1274 CD1 TRP A 93 -7.679 2.780 -5.649 1.00 0.00 C ATOM 1275 CD2 TRP A 93 -8.009 1.444 -3.882 1.00 0.00 C ATOM 1276 NE1 TRP A 93 -8.069 3.568 -4.594 1.00 0.00 N ATOM 1277 CE2 TRP A 93 -8.279 2.772 -3.498 1.00 0.00 C ATOM 1278 CE3 TRP A 93 -8.151 0.427 -2.934 1.00 0.00 C ATOM 1279 CZ2 TRP A 93 -8.680 3.107 -2.208 1.00 0.00 C ATOM 1280 CZ3 TRP A 93 -8.549 0.761 -1.654 1.00 0.00 C ATOM 1281 CH2 TRP A 93 -8.811 2.091 -1.300 1.00 0.00 C ATOM 0 H TRP A 93 -6.309 1.276 -8.603 1.00 0.00 H new ATOM 0 HA TRP A 93 -5.137 0.672 -5.958 1.00 0.00 H new ATOM 0 HB2 TRP A 93 -7.986 0.175 -6.903 1.00 0.00 H new ATOM 0 HB3 TRP A 93 -7.280 -0.608 -5.503 1.00 0.00 H new ATOM 0 HD1 TRP A 93 -7.447 3.142 -6.640 1.00 0.00 H new ATOM 0 HE1 TRP A 93 -8.184 4.581 -4.622 1.00 0.00 H new ATOM 0 HE3 TRP A 93 -7.953 -0.602 -3.197 1.00 0.00 H new ATOM 0 HZ2 TRP A 93 -8.881 4.132 -1.933 1.00 0.00 H new ATOM 0 HZ3 TRP A 93 -8.660 -0.017 -0.913 1.00 0.00 H new ATOM 0 HH2 TRP A 93 -9.122 2.319 -0.291 1.00 0.00 H new ATOM 1292 N TYR A 94 -4.751 -1.726 -6.608 1.00 0.00 N ATOM 1293 CA TYR A 94 -4.297 -3.022 -7.099 1.00 0.00 C ATOM 1294 C TYR A 94 -5.261 -4.130 -6.686 1.00 0.00 C ATOM 1295 O TYR A 94 -6.107 -3.938 -5.813 1.00 0.00 O ATOM 1296 CB TYR A 94 -2.894 -3.328 -6.571 1.00 0.00 C ATOM 1297 CG TYR A 94 -1.789 -2.687 -7.379 1.00 0.00 C ATOM 1298 CD1 TYR A 94 -1.741 -2.827 -8.761 1.00 0.00 C ATOM 1299 CD2 TYR A 94 -0.793 -1.941 -6.761 1.00 0.00 C ATOM 1300 CE1 TYR A 94 -0.733 -2.244 -9.503 1.00 0.00 C ATOM 1301 CE2 TYR A 94 0.218 -1.353 -7.496 1.00 0.00 C ATOM 1302 CZ TYR A 94 0.244 -1.507 -8.866 1.00 0.00 C ATOM 1303 OH TYR A 94 1.250 -0.924 -9.603 1.00 0.00 O ATOM 0 H TYR A 94 -4.488 -1.525 -5.643 1.00 0.00 H new ATOM 0 HA TYR A 94 -4.267 -2.979 -8.188 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -2.822 -2.987 -5.538 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -2.746 -4.408 -6.562 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -2.505 -3.402 -9.263 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -0.810 -1.819 -5.688 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -0.709 -2.364 -10.576 1.00 0.00 H new ATOM 0 HE2 TYR A 94 0.984 -0.776 -7.000 1.00 0.00 H new ATOM 0 HH TYR A 94 1.711 -0.255 -9.055 1.00 0.00 H new ATOM 1313 N ARG A 95 -5.126 -5.289 -7.321 1.00 0.00 N ATOM 1314 CA ARG A 95 -5.985 -6.429 -7.022 1.00 0.00 C ATOM 1315 C ARG A 95 -5.161 -7.703 -6.863 1.00 0.00 C ATOM 1316 O ARG A 95 -4.602 -8.218 -7.830 1.00 0.00 O ATOM 1317 CB ARG A 95 -7.025 -6.615 -8.128 1.00 0.00 C ATOM 1318 CG ARG A 95 -8.327 -7.231 -7.642 1.00 0.00 C ATOM 1319 CD ARG A 95 -8.291 -8.749 -7.726 1.00 0.00 C ATOM 1320 NE ARG A 95 -8.344 -9.222 -9.107 1.00 0.00 N ATOM 1321 CZ ARG A 95 -8.604 -10.480 -9.443 1.00 0.00 C ATOM 1322 NH1 ARG A 95 -8.833 -11.387 -8.504 1.00 0.00 N ATOM 1323 NH2 ARG A 95 -8.635 -10.834 -10.722 1.00 0.00 N ATOM 0 H ARG A 95 -4.430 -5.464 -8.046 1.00 0.00 H new ATOM 0 HA ARG A 95 -6.498 -6.229 -6.081 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -7.238 -5.647 -8.582 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -6.603 -7.247 -8.909 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -8.512 -6.927 -6.612 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -9.156 -6.852 -8.240 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -7.381 -9.117 -7.251 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -9.131 -9.163 -7.168 1.00 0.00 H new ATOM 0 HE ARG A 95 -8.172 -8.549 -9.854 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -8.810 -11.119 -7.520 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -9.032 -12.353 -8.765 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -8.459 -10.139 -11.448 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -8.835 -11.801 -10.979 1.00 0.00 H new ATOM 1337 N GLY A 96 -5.092 -8.208 -5.634 1.00 0.00 N ATOM 1338 CA GLY A 96 -4.334 -9.417 -5.371 1.00 0.00 C ATOM 1339 C GLY A 96 -4.545 -9.938 -3.963 1.00 0.00 C ATOM 1340 O GLY A 96 -5.612 -9.752 -3.378 1.00 0.00 O ATOM 0 H GLY A 96 -5.547 -7.801 -4.817 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -4.623 -10.186 -6.087 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -3.274 -9.219 -5.527 1.00 0.00 H new ATOM 1344 N TYR A 97 -3.527 -10.595 -3.419 1.00 0.00 N ATOM 1345 CA TYR A 97 -3.607 -11.148 -2.072 1.00 0.00 C ATOM 1346 C TYR A 97 -2.215 -11.334 -1.476 1.00 0.00 C ATOM 1347 O TYR A 97 -1.216 -11.360 -2.196 1.00 0.00 O ATOM 1348 CB TYR A 97 -4.348 -12.486 -2.091 1.00 0.00 C ATOM 1349 CG TYR A 97 -3.668 -13.543 -2.931 1.00 0.00 C ATOM 1350 CD1 TYR A 97 -2.421 -14.044 -2.577 1.00 0.00 C ATOM 1351 CD2 TYR A 97 -4.271 -14.041 -4.080 1.00 0.00 C ATOM 1352 CE1 TYR A 97 -1.795 -15.009 -3.342 1.00 0.00 C ATOM 1353 CE2 TYR A 97 -3.653 -15.007 -4.850 1.00 0.00 C ATOM 1354 CZ TYR A 97 -2.415 -15.488 -4.477 1.00 0.00 C ATOM 1355 OH TYR A 97 -1.796 -16.450 -5.242 1.00 0.00 O ATOM 0 H TYR A 97 -2.637 -10.758 -3.890 1.00 0.00 H new ATOM 0 HA TYR A 97 -4.158 -10.443 -1.449 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -4.445 -12.853 -1.069 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -5.358 -12.327 -2.470 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -1.933 -13.672 -1.688 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -5.240 -13.666 -4.376 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -0.825 -15.386 -3.053 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -4.136 -15.384 -5.739 1.00 0.00 H new ATOM 0 HH TYR A 97 -2.367 -16.679 -6.005 1.00 0.00 H new ATOM 1365 N LEU A 98 -2.157 -11.462 -0.155 1.00 0.00 N ATOM 1366 CA LEU A 98 -0.888 -11.646 0.541 1.00 0.00 C ATOM 1367 C LEU A 98 -0.307 -13.028 0.258 1.00 0.00 C ATOM 1368 O LEU A 98 -0.868 -14.044 0.670 1.00 0.00 O ATOM 1369 CB LEU A 98 -1.078 -11.459 2.047 1.00 0.00 C ATOM 1370 CG LEU A 98 0.128 -10.912 2.813 1.00 0.00 C ATOM 1371 CD1 LEU A 98 0.703 -9.696 2.105 1.00 0.00 C ATOM 1372 CD2 LEU A 98 -0.262 -10.565 4.243 1.00 0.00 C ATOM 0 H LEU A 98 -2.974 -11.442 0.456 1.00 0.00 H new ATOM 0 HA LEU A 98 -0.188 -10.896 0.173 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -1.920 -10.785 2.206 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -1.353 -12.421 2.480 1.00 0.00 H new ATOM 0 HG LEU A 98 0.896 -11.685 2.844 1.00 0.00 H new ATOM 0 HD11 LEU A 98 1.560 -9.321 2.664 1.00 0.00 H new ATOM 0 HD12 LEU A 98 1.020 -9.976 1.100 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -0.058 -8.918 2.042 1.00 0.00 H new ATOM 0 HD21 LEU A 98 0.608 -10.177 4.773 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -1.047 -9.809 4.233 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -0.626 -11.460 4.748 1.00 0.00 H new ATOM 1384 N ILE A 99 0.820 -13.058 -0.445 1.00 0.00 N ATOM 1385 CA ILE A 99 1.478 -14.315 -0.780 1.00 0.00 C ATOM 1386 C ILE A 99 1.765 -15.135 0.473 1.00 0.00 C ATOM 1387 O ILE A 99 1.443 -16.322 0.539 1.00 0.00 O ATOM 1388 CB ILE A 99 2.798 -14.075 -1.536 1.00 0.00 C ATOM 1389 CG1 ILE A 99 2.542 -13.266 -2.810 1.00 0.00 C ATOM 1390 CG2 ILE A 99 3.465 -15.401 -1.870 1.00 0.00 C ATOM 1391 CD1 ILE A 99 3.792 -12.649 -3.396 1.00 0.00 C ATOM 0 H ILE A 99 1.297 -12.226 -0.794 1.00 0.00 H new ATOM 0 HA ILE A 99 0.795 -14.867 -1.425 1.00 0.00 H new ATOM 0 HB ILE A 99 3.469 -13.504 -0.894 1.00 0.00 H new ATOM 0 HG12 ILE A 99 2.083 -13.914 -3.556 1.00 0.00 H new ATOM 0 HG13 ILE A 99 1.825 -12.475 -2.590 1.00 0.00 H new ATOM 0 HG21 ILE A 99 4.397 -15.215 -2.404 1.00 0.00 H new ATOM 0 HG22 ILE A 99 3.677 -15.944 -0.949 1.00 0.00 H new ATOM 0 HG23 ILE A 99 2.800 -15.995 -2.497 1.00 0.00 H new ATOM 0 HD11 ILE A 99 3.535 -12.091 -4.296 1.00 0.00 H new ATOM 0 HD12 ILE A 99 4.241 -11.974 -2.667 1.00 0.00 H new ATOM 0 HD13 ILE A 99 4.503 -13.436 -3.648 1.00 0.00 H new ATOM 1403 N LYS A 100 2.372 -14.495 1.467 1.00 0.00 N ATOM 1404 CA LYS A 100 2.701 -15.164 2.720 1.00 0.00 C ATOM 1405 C LYS A 100 1.443 -15.703 3.395 1.00 0.00 C ATOM 1406 O LYS A 100 1.509 -16.630 4.203 1.00 0.00 O ATOM 1407 CB LYS A 100 3.424 -14.199 3.662 1.00 0.00 C ATOM 1408 CG LYS A 100 2.674 -12.899 3.895 1.00 0.00 C ATOM 1409 CD LYS A 100 3.186 -12.172 5.128 1.00 0.00 C ATOM 1410 CE LYS A 100 4.602 -11.655 4.921 1.00 0.00 C ATOM 1411 NZ LYS A 100 4.663 -10.614 3.858 1.00 0.00 N ATOM 0 H LYS A 100 2.646 -13.513 1.429 1.00 0.00 H new ATOM 0 HA LYS A 100 3.359 -16.003 2.494 1.00 0.00 H new ATOM 0 HB2 LYS A 100 3.585 -14.693 4.620 1.00 0.00 H new ATOM 0 HB3 LYS A 100 4.408 -13.972 3.251 1.00 0.00 H new ATOM 0 HG2 LYS A 100 2.780 -12.255 3.022 1.00 0.00 H new ATOM 0 HG3 LYS A 100 1.610 -13.107 4.010 1.00 0.00 H new ATOM 0 HD2 LYS A 100 2.524 -11.339 5.362 1.00 0.00 H new ATOM 0 HD3 LYS A 100 3.165 -12.846 5.984 1.00 0.00 H new ATOM 0 HE2 LYS A 100 4.978 -11.241 5.857 1.00 0.00 H new ATOM 0 HE3 LYS A 100 5.256 -12.485 4.654 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 5.380 -9.904 4.109 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 4.917 -11.057 2.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 3.735 -10.153 3.770 1.00 0.00 H new ATOM 1425 N HIS A 101 0.299 -15.118 3.058 1.00 0.00 N ATOM 1426 CA HIS A 101 -0.974 -15.541 3.630 1.00 0.00 C ATOM 1427 C HIS A 101 -2.108 -15.365 2.624 1.00 0.00 C ATOM 1428 O HIS A 101 -2.557 -14.248 2.367 1.00 0.00 O ATOM 1429 CB HIS A 101 -1.276 -14.746 4.900 1.00 0.00 C ATOM 1430 CG HIS A 101 -0.261 -14.940 5.984 1.00 0.00 C ATOM 1431 ND1 HIS A 101 -0.203 -16.074 6.767 1.00 0.00 N ATOM 1432 CD2 HIS A 101 0.742 -14.138 6.412 1.00 0.00 C ATOM 1433 CE1 HIS A 101 0.789 -15.959 7.631 1.00 0.00 C ATOM 1434 NE2 HIS A 101 1.379 -14.794 7.436 1.00 0.00 N ATOM 0 H HIS A 101 0.227 -14.349 2.391 1.00 0.00 H new ATOM 0 HA HIS A 101 -0.897 -16.599 3.882 1.00 0.00 H new ATOM 0 HB2 HIS A 101 -1.331 -13.686 4.651 1.00 0.00 H new ATOM 0 HB3 HIS A 101 -2.257 -15.037 5.276 1.00 0.00 H new ATOM 0 HD2 HIS A 101 0.994 -13.163 6.021 1.00 0.00 H new ATOM 0 HE1 HIS A 101 1.070 -16.693 8.371 1.00 0.00 H new ATOM 0 HE2 HIS A 101 2.178 -14.439 7.961 1.00 0.00 H new ATOM 1443 N LYS A 102 -2.566 -16.475 2.056 1.00 0.00 N ATOM 1444 CA LYS A 102 -3.647 -16.445 1.078 1.00 0.00 C ATOM 1445 C LYS A 102 -5.007 -16.426 1.770 1.00 0.00 C ATOM 1446 O LYS A 102 -6.048 -16.438 1.114 1.00 0.00 O ATOM 1447 CB LYS A 102 -3.554 -17.655 0.146 1.00 0.00 C ATOM 1448 CG LYS A 102 -2.647 -17.433 -1.051 1.00 0.00 C ATOM 1449 CD LYS A 102 -2.821 -18.525 -2.093 1.00 0.00 C ATOM 1450 CE LYS A 102 -1.866 -19.683 -1.852 1.00 0.00 C ATOM 1451 NZ LYS A 102 -1.914 -20.682 -2.955 1.00 0.00 N ATOM 0 H LYS A 102 -2.205 -17.408 2.256 1.00 0.00 H new ATOM 0 HA LYS A 102 -3.545 -15.533 0.490 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -3.190 -18.512 0.713 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -4.553 -17.908 -0.208 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -2.865 -16.463 -1.499 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -1.608 -17.406 -0.721 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -3.848 -18.889 -2.072 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -2.650 -18.112 -3.087 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -0.850 -19.301 -1.753 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -2.117 -20.170 -0.910 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -1.249 -21.455 -2.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -2.877 -21.066 -3.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -1.650 -20.224 -3.850 1.00 0.00 H new ATOM 1465 N MET A 103 -4.989 -16.395 3.099 1.00 0.00 N ATOM 1466 CA MET A 103 -6.221 -16.372 3.879 1.00 0.00 C ATOM 1467 C MET A 103 -6.907 -15.014 3.771 1.00 0.00 C ATOM 1468 O MET A 103 -8.050 -14.849 4.199 1.00 0.00 O ATOM 1469 CB MET A 103 -5.927 -16.693 5.346 1.00 0.00 C ATOM 1470 CG MET A 103 -5.059 -15.652 6.033 1.00 0.00 C ATOM 1471 SD MET A 103 -4.510 -16.176 7.669 1.00 0.00 S ATOM 1472 CE MET A 103 -3.460 -17.564 7.245 1.00 0.00 C ATOM 0 H MET A 103 -4.136 -16.385 3.658 1.00 0.00 H new ATOM 0 HA MET A 103 -6.891 -17.131 3.476 1.00 0.00 H new ATOM 0 HB2 MET A 103 -6.870 -16.782 5.886 1.00 0.00 H new ATOM 0 HB3 MET A 103 -5.433 -17.663 5.405 1.00 0.00 H new ATOM 0 HG2 MET A 103 -4.188 -15.443 5.411 1.00 0.00 H new ATOM 0 HG3 MET A 103 -5.618 -14.720 6.123 1.00 0.00 H new ATOM 0 HE1 MET A 103 -2.733 -17.727 8.041 1.00 0.00 H new ATOM 0 HE2 MET A 103 -4.071 -18.458 7.123 1.00 0.00 H new ATOM 0 HE3 MET A 103 -2.936 -17.352 6.313 1.00 0.00 H new ATOM 1482 N LEU A 104 -6.202 -14.044 3.198 1.00 0.00 N ATOM 1483 CA LEU A 104 -6.744 -12.700 3.034 1.00 0.00 C ATOM 1484 C LEU A 104 -6.601 -12.227 1.591 1.00 0.00 C ATOM 1485 O LEU A 104 -5.530 -12.338 0.996 1.00 0.00 O ATOM 1486 CB LEU A 104 -6.034 -11.725 3.975 1.00 0.00 C ATOM 1487 CG LEU A 104 -4.506 -11.734 3.923 1.00 0.00 C ATOM 1488 CD1 LEU A 104 -3.949 -10.383 4.345 1.00 0.00 C ATOM 1489 CD2 LEU A 104 -3.949 -12.841 4.806 1.00 0.00 C ATOM 0 H LEU A 104 -5.255 -14.163 2.840 1.00 0.00 H new ATOM 0 HA LEU A 104 -7.805 -12.730 3.283 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -6.379 -10.716 3.748 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -6.344 -11.946 4.996 1.00 0.00 H new ATOM 0 HG LEU A 104 -4.198 -11.926 2.895 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -2.860 -10.409 4.302 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -4.321 -9.610 3.672 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -4.266 -10.161 5.364 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -2.860 -12.833 4.757 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -4.267 -12.680 5.836 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -4.320 -13.805 4.459 1.00 0.00 H new ATOM 1501 N GLN A 105 -7.686 -11.697 1.037 1.00 0.00 N ATOM 1502 CA GLN A 105 -7.680 -11.206 -0.336 1.00 0.00 C ATOM 1503 C GLN A 105 -8.576 -9.979 -0.479 1.00 0.00 C ATOM 1504 O GLN A 105 -9.630 -9.892 0.148 1.00 0.00 O ATOM 1505 CB GLN A 105 -8.142 -12.304 -1.295 1.00 0.00 C ATOM 1506 CG GLN A 105 -7.608 -13.683 -0.944 1.00 0.00 C ATOM 1507 CD GLN A 105 -8.315 -14.793 -1.697 1.00 0.00 C ATOM 1508 OE1 GLN A 105 -9.542 -14.806 -1.797 1.00 0.00 O ATOM 1509 NE2 GLN A 105 -7.543 -15.731 -2.232 1.00 0.00 N ATOM 0 H GLN A 105 -8.580 -11.596 1.517 1.00 0.00 H new ATOM 0 HA GLN A 105 -6.659 -10.920 -0.588 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -9.232 -12.336 -1.300 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -7.826 -12.048 -2.306 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -6.541 -13.722 -1.165 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -7.718 -13.849 0.128 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -6.530 -15.680 -2.124 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -7.963 -16.502 -2.751 1.00 0.00 H new ATOM 1518 N GLY A 106 -8.147 -9.033 -1.310 1.00 0.00 N ATOM 1519 CA GLY A 106 -8.922 -7.824 -1.520 1.00 0.00 C ATOM 1520 C GLY A 106 -8.213 -6.830 -2.418 1.00 0.00 C ATOM 1521 O GLY A 106 -7.551 -7.217 -3.382 1.00 0.00 O ATOM 0 H GLY A 106 -7.277 -9.083 -1.841 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -9.884 -8.085 -1.960 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -9.128 -7.356 -0.557 1.00 0.00 H new ATOM 1525 N ILE A 107 -8.351 -5.547 -2.103 1.00 0.00 N ATOM 1526 CA ILE A 107 -7.719 -4.495 -2.889 1.00 0.00 C ATOM 1527 C ILE A 107 -6.902 -3.561 -2.003 1.00 0.00 C ATOM 1528 O ILE A 107 -7.051 -3.560 -0.780 1.00 0.00 O ATOM 1529 CB ILE A 107 -8.761 -3.668 -3.665 1.00 0.00 C ATOM 1530 CG1 ILE A 107 -9.799 -3.085 -2.704 1.00 0.00 C ATOM 1531 CG2 ILE A 107 -9.435 -4.526 -4.725 1.00 0.00 C ATOM 1532 CD1 ILE A 107 -10.788 -2.156 -3.373 1.00 0.00 C ATOM 0 H ILE A 107 -8.895 -5.211 -1.309 1.00 0.00 H new ATOM 0 HA ILE A 107 -7.056 -4.988 -3.600 1.00 0.00 H new ATOM 0 HB ILE A 107 -8.251 -2.843 -4.163 1.00 0.00 H new ATOM 0 HG12 ILE A 107 -10.343 -3.902 -2.231 1.00 0.00 H new ATOM 0 HG13 ILE A 107 -9.284 -2.544 -1.911 1.00 0.00 H new ATOM 0 HG21 ILE A 107 -10.169 -3.928 -5.265 1.00 0.00 H new ATOM 0 HG22 ILE A 107 -8.685 -4.897 -5.423 1.00 0.00 H new ATOM 0 HG23 ILE A 107 -9.935 -5.369 -4.247 1.00 0.00 H new ATOM 0 HD11 ILE A 107 -11.493 -1.781 -2.632 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -10.254 -1.319 -3.822 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -11.330 -2.698 -4.148 1.00 0.00 H new ATOM 1544 N PHE A 108 -6.040 -2.765 -2.627 1.00 0.00 N ATOM 1545 CA PHE A 108 -5.200 -1.825 -1.894 1.00 0.00 C ATOM 1546 C PHE A 108 -4.733 -0.692 -2.803 1.00 0.00 C ATOM 1547 O PHE A 108 -4.753 -0.797 -4.030 1.00 0.00 O ATOM 1548 CB PHE A 108 -3.991 -2.546 -1.297 1.00 0.00 C ATOM 1549 CG PHE A 108 -3.544 -3.734 -2.101 1.00 0.00 C ATOM 1550 CD1 PHE A 108 -4.109 -4.982 -1.890 1.00 0.00 C ATOM 1551 CD2 PHE A 108 -2.561 -3.603 -3.067 1.00 0.00 C ATOM 1552 CE1 PHE A 108 -3.700 -6.077 -2.627 1.00 0.00 C ATOM 1553 CE2 PHE A 108 -2.147 -4.695 -3.808 1.00 0.00 C ATOM 1554 CZ PHE A 108 -2.719 -5.933 -3.588 1.00 0.00 C ATOM 0 H PHE A 108 -5.905 -2.752 -3.638 1.00 0.00 H new ATOM 0 HA PHE A 108 -5.794 -1.399 -1.086 1.00 0.00 H new ATOM 0 HB2 PHE A 108 -3.163 -1.842 -1.213 1.00 0.00 H new ATOM 0 HB3 PHE A 108 -4.235 -2.873 -0.286 1.00 0.00 H new ATOM 0 HD1 PHE A 108 -4.878 -5.100 -1.141 1.00 0.00 H new ATOM 0 HD2 PHE A 108 -2.112 -2.637 -3.244 1.00 0.00 H new ATOM 0 HE1 PHE A 108 -4.147 -7.044 -2.452 1.00 0.00 H new ATOM 0 HE2 PHE A 108 -1.378 -4.580 -4.557 1.00 0.00 H new ATOM 0 HZ PHE A 108 -2.399 -6.787 -4.167 1.00 0.00 H new ATOM 1564 N PRO A 109 -4.301 0.420 -2.188 1.00 0.00 N ATOM 1565 CA PRO A 109 -3.821 1.594 -2.922 1.00 0.00 C ATOM 1566 C PRO A 109 -2.485 1.340 -3.612 1.00 0.00 C ATOM 1567 O PRO A 109 -1.504 0.964 -2.970 1.00 0.00 O ATOM 1568 CB PRO A 109 -3.665 2.655 -1.830 1.00 0.00 C ATOM 1569 CG PRO A 109 -3.451 1.880 -0.576 1.00 0.00 C ATOM 1570 CD PRO A 109 -4.250 0.615 -0.730 1.00 0.00 C ATOM 0 HA PRO A 109 -4.504 1.882 -3.722 1.00 0.00 H new ATOM 0 HB2 PRO A 109 -2.822 3.314 -2.036 1.00 0.00 H new ATOM 0 HB3 PRO A 109 -4.552 3.284 -1.760 1.00 0.00 H new ATOM 0 HG2 PRO A 109 -2.394 1.659 -0.430 1.00 0.00 H new ATOM 0 HG3 PRO A 109 -3.781 2.447 0.294 1.00 0.00 H new ATOM 0 HD2 PRO A 109 -3.771 -0.226 -0.228 1.00 0.00 H new ATOM 0 HD3 PRO A 109 -5.248 0.715 -0.303 1.00 0.00 H new ATOM 1578 N LYS A 110 -2.453 1.548 -4.924 1.00 0.00 N ATOM 1579 CA LYS A 110 -1.237 1.343 -5.702 1.00 0.00 C ATOM 1580 C LYS A 110 -0.097 2.203 -5.166 1.00 0.00 C ATOM 1581 O LYS A 110 1.076 1.890 -5.369 1.00 0.00 O ATOM 1582 CB LYS A 110 -1.489 1.672 -7.176 1.00 0.00 C ATOM 1583 CG LYS A 110 -2.371 0.657 -7.883 1.00 0.00 C ATOM 1584 CD LYS A 110 -2.855 1.180 -9.225 1.00 0.00 C ATOM 1585 CE LYS A 110 -1.857 0.881 -10.333 1.00 0.00 C ATOM 1586 NZ LYS A 110 -0.857 1.973 -10.488 1.00 0.00 N ATOM 0 H LYS A 110 -3.256 1.859 -5.471 1.00 0.00 H new ATOM 0 HA LYS A 110 -0.951 0.295 -5.613 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -1.953 2.656 -7.246 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -0.532 1.734 -7.695 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -1.815 -0.269 -8.031 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -3.228 0.417 -7.254 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -3.816 0.727 -9.468 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -3.017 2.256 -9.160 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -1.342 -0.055 -10.115 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -2.390 0.740 -11.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -0.963 2.410 -11.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -1.011 2.692 -9.752 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 0.102 1.581 -10.395 1.00 0.00 H new ATOM 1600 N SER A 111 -0.450 3.285 -4.481 1.00 0.00 N ATOM 1601 CA SER A 111 0.545 4.191 -3.918 1.00 0.00 C ATOM 1602 C SER A 111 1.254 3.549 -2.729 1.00 0.00 C ATOM 1603 O SER A 111 2.234 4.085 -2.213 1.00 0.00 O ATOM 1604 CB SER A 111 -0.116 5.502 -3.484 1.00 0.00 C ATOM 1605 OG SER A 111 -1.077 5.277 -2.468 1.00 0.00 O ATOM 0 H SER A 111 -1.417 3.556 -4.302 1.00 0.00 H new ATOM 0 HA SER A 111 1.285 4.403 -4.690 1.00 0.00 H new ATOM 0 HB2 SER A 111 0.645 6.194 -3.123 1.00 0.00 H new ATOM 0 HB3 SER A 111 -0.594 5.974 -4.343 1.00 0.00 H new ATOM 0 HG SER A 111 -0.620 5.075 -1.625 1.00 0.00 H new ATOM 1611 N PHE A 112 0.750 2.396 -2.301 1.00 0.00 N ATOM 1612 CA PHE A 112 1.333 1.679 -1.173 1.00 0.00 C ATOM 1613 C PHE A 112 2.112 0.456 -1.649 1.00 0.00 C ATOM 1614 O PHE A 112 2.900 -0.121 -0.900 1.00 0.00 O ATOM 1615 CB PHE A 112 0.239 1.251 -0.192 1.00 0.00 C ATOM 1616 CG PHE A 112 -0.276 2.376 0.659 1.00 0.00 C ATOM 1617 CD1 PHE A 112 -0.898 3.471 0.081 1.00 0.00 C ATOM 1618 CD2 PHE A 112 -0.140 2.338 2.037 1.00 0.00 C ATOM 1619 CE1 PHE A 112 -1.373 4.508 0.862 1.00 0.00 C ATOM 1620 CE2 PHE A 112 -0.613 3.372 2.824 1.00 0.00 C ATOM 1621 CZ PHE A 112 -1.231 4.458 2.235 1.00 0.00 C ATOM 0 H PHE A 112 -0.061 1.938 -2.718 1.00 0.00 H new ATOM 0 HA PHE A 112 2.023 2.352 -0.665 1.00 0.00 H new ATOM 0 HB2 PHE A 112 -0.591 0.820 -0.751 1.00 0.00 H new ATOM 0 HB3 PHE A 112 0.629 0.466 0.455 1.00 0.00 H new ATOM 0 HD1 PHE A 112 -1.013 3.515 -0.992 1.00 0.00 H new ATOM 0 HD2 PHE A 112 0.341 1.491 2.502 1.00 0.00 H new ATOM 0 HE1 PHE A 112 -1.855 5.357 0.399 1.00 0.00 H new ATOM 0 HE2 PHE A 112 -0.499 3.331 3.897 1.00 0.00 H new ATOM 0 HZ PHE A 112 -1.603 5.267 2.847 1.00 0.00 H new ATOM 1631 N ILE A 113 1.883 0.067 -2.899 1.00 0.00 N ATOM 1632 CA ILE A 113 2.563 -1.086 -3.475 1.00 0.00 C ATOM 1633 C ILE A 113 3.697 -0.651 -4.397 1.00 0.00 C ATOM 1634 O ILE A 113 3.494 0.138 -5.320 1.00 0.00 O ATOM 1635 CB ILE A 113 1.587 -1.978 -4.266 1.00 0.00 C ATOM 1636 CG1 ILE A 113 0.431 -2.425 -3.369 1.00 0.00 C ATOM 1637 CG2 ILE A 113 2.317 -3.183 -4.839 1.00 0.00 C ATOM 1638 CD1 ILE A 113 0.871 -3.266 -2.191 1.00 0.00 C ATOM 0 H ILE A 113 1.232 0.533 -3.531 1.00 0.00 H new ATOM 0 HA ILE A 113 2.973 -1.659 -2.643 1.00 0.00 H new ATOM 0 HB ILE A 113 1.177 -1.399 -5.094 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -0.094 -1.544 -3.000 1.00 0.00 H new ATOM 0 HG13 ILE A 113 -0.282 -2.994 -3.965 1.00 0.00 H new ATOM 0 HG21 ILE A 113 1.614 -3.804 -5.395 1.00 0.00 H new ATOM 0 HG22 ILE A 113 3.109 -2.845 -5.507 1.00 0.00 H new ATOM 0 HG23 ILE A 113 2.751 -3.766 -4.026 1.00 0.00 H new ATOM 0 HD11 ILE A 113 -0.000 -3.547 -1.599 1.00 0.00 H new ATOM 0 HD12 ILE A 113 1.370 -4.165 -2.552 1.00 0.00 H new ATOM 0 HD13 ILE A 113 1.561 -2.692 -1.572 1.00 0.00 H new ATOM 1650 N HIS A 114 4.893 -1.173 -4.142 1.00 0.00 N ATOM 1651 CA HIS A 114 6.060 -0.841 -4.951 1.00 0.00 C ATOM 1652 C HIS A 114 6.347 -1.941 -5.970 1.00 0.00 C ATOM 1653 O HIS A 114 6.887 -2.993 -5.626 1.00 0.00 O ATOM 1654 CB HIS A 114 7.282 -0.627 -4.058 1.00 0.00 C ATOM 1655 CG HIS A 114 8.504 -0.192 -4.807 1.00 0.00 C ATOM 1656 ND1 HIS A 114 8.564 0.979 -5.534 1.00 0.00 N ATOM 1657 CD2 HIS A 114 9.717 -0.777 -4.939 1.00 0.00 C ATOM 1658 CE1 HIS A 114 9.760 1.094 -6.081 1.00 0.00 C ATOM 1659 NE2 HIS A 114 10.480 0.041 -5.735 1.00 0.00 N ATOM 0 H HIS A 114 5.079 -1.827 -3.382 1.00 0.00 H new ATOM 0 HA HIS A 114 5.846 0.082 -5.490 1.00 0.00 H new ATOM 0 HB2 HIS A 114 7.043 0.122 -3.303 1.00 0.00 H new ATOM 0 HB3 HIS A 114 7.501 -1.554 -3.529 1.00 0.00 H new ATOM 0 HD2 HIS A 114 10.027 -1.714 -4.500 1.00 0.00 H new ATOM 0 HE1 HIS A 114 10.093 1.910 -6.705 1.00 0.00 H new ATOM 0 HE2 HIS A 114 11.445 -0.135 -6.014 1.00 0.00 H new ATOM 1668 N ILE A 115 5.981 -1.690 -7.222 1.00 0.00 N ATOM 1669 CA ILE A 115 6.199 -2.659 -8.289 1.00 0.00 C ATOM 1670 C ILE A 115 7.686 -2.851 -8.562 1.00 0.00 C ATOM 1671 O ILE A 115 8.357 -1.952 -9.071 1.00 0.00 O ATOM 1672 CB ILE A 115 5.500 -2.228 -9.592 1.00 0.00 C ATOM 1673 CG1 ILE A 115 3.995 -2.075 -9.364 1.00 0.00 C ATOM 1674 CG2 ILE A 115 5.774 -3.236 -10.699 1.00 0.00 C ATOM 1675 CD1 ILE A 115 3.364 -3.268 -8.680 1.00 0.00 C ATOM 0 H ILE A 115 5.532 -0.825 -7.523 1.00 0.00 H new ATOM 0 HA ILE A 115 5.770 -3.602 -7.951 1.00 0.00 H new ATOM 0 HB ILE A 115 5.901 -1.262 -9.899 1.00 0.00 H new ATOM 0 HG12 ILE A 115 3.815 -1.184 -8.762 1.00 0.00 H new ATOM 0 HG13 ILE A 115 3.504 -1.915 -10.324 1.00 0.00 H new ATOM 0 HG21 ILE A 115 5.273 -2.917 -11.613 1.00 0.00 H new ATOM 0 HG22 ILE A 115 6.848 -3.299 -10.876 1.00 0.00 H new ATOM 0 HG23 ILE A 115 5.398 -4.215 -10.401 1.00 0.00 H new ATOM 0 HD11 ILE A 115 2.296 -3.091 -8.551 1.00 0.00 H new ATOM 0 HD12 ILE A 115 3.512 -4.158 -9.291 1.00 0.00 H new ATOM 0 HD13 ILE A 115 3.828 -3.416 -7.705 1.00 0.00 H new ATOM 1687 N LYS A 116 8.198 -4.029 -8.222 1.00 0.00 N ATOM 1688 CA LYS A 116 9.606 -4.342 -8.433 1.00 0.00 C ATOM 1689 C LYS A 116 9.831 -4.932 -9.821 1.00 0.00 C ATOM 1690 O LYS A 116 9.514 -6.095 -10.069 1.00 0.00 O ATOM 1691 CB LYS A 116 10.097 -5.322 -7.365 1.00 0.00 C ATOM 1692 CG LYS A 116 9.437 -5.128 -6.011 1.00 0.00 C ATOM 1693 CD LYS A 116 10.370 -5.510 -4.875 1.00 0.00 C ATOM 1694 CE LYS A 116 10.822 -6.958 -4.988 1.00 0.00 C ATOM 1695 NZ LYS A 116 9.840 -7.895 -4.376 1.00 0.00 N ATOM 0 H LYS A 116 7.658 -4.784 -7.799 1.00 0.00 H new ATOM 0 HA LYS A 116 10.174 -3.415 -8.356 1.00 0.00 H new ATOM 0 HB2 LYS A 116 9.913 -6.341 -7.707 1.00 0.00 H new ATOM 0 HB3 LYS A 116 11.176 -5.213 -7.253 1.00 0.00 H new ATOM 0 HG2 LYS A 116 9.134 -4.087 -5.899 1.00 0.00 H new ATOM 0 HG3 LYS A 116 8.531 -5.732 -5.957 1.00 0.00 H new ATOM 0 HD2 LYS A 116 11.241 -4.854 -4.882 1.00 0.00 H new ATOM 0 HD3 LYS A 116 9.865 -5.359 -3.921 1.00 0.00 H new ATOM 0 HE2 LYS A 116 10.962 -7.214 -6.038 1.00 0.00 H new ATOM 0 HE3 LYS A 116 11.789 -7.076 -4.500 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 10.151 -8.875 -4.533 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 9.775 -7.712 -3.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 8.907 -7.754 -4.813 1.00 0.00 H new